National Library of Energy BETA

Sample records for materials synthesis self-assembly

  1. Self-assembly of nanocomposite materials

    DOE Patents [OSTI]

    Brinker, C. Jeffrey (Albuquerque, NM); Sellinger, Alan (Palo Alto, CA); Lu, Yunfeng (New Orleans, LA)

    2001-01-01

    A method of making a nanocomposite self-assembly is provided where at least one hydrophilic compound, at least one hydrophobic compound, and at least one amphiphilic surfactant are mixed in an aqueous solvent with the solvent subsequently evaporated to form a self-assembled liquid crystalline mesophase material. Upon polymerization of the hydrophilic and hydrophobic compounds, a robust nanocomposite self-assembled material is formed. Importantly, in the reaction mixture, the amphiphilic surfactant has an initial concentration below the critical micelle concentration to allow formation of the liquid-phase micellar mesophase material. A variety of nanocomposite structures can be formed, depending upon the solvent evaporazation process, including layered mesophases, tubular mesophases, and a hierarchical composite coating composed of an isotropic worm-like micellar overlayer bonded to an oriented, nanolaminated underlayer.

  2. Self-assembled lipid bilayer materials

    DOE Patents [OSTI]

    Sasaki, Darryl Y.; Waggoner, Tina A.; Last, Julie A.

    2005-11-08

    The present invention is a self-assembling material comprised of stacks of lipid bilayers formed in a columnar structure, where the assembly process is mediated and regulated by chemical recognition events. The material, through the chemical recognition interactions, has a self-regulating system that corrects the radial size of the assembly creating a uniform diameter throughout most of the structure. The materials form and are stable in aqueous solution. These materials are useful as structural elements for the architecture of materials and components in nanotechnology, efficient light harvesting systems for optical sensing, chemical processing centers, and drug delivery vehicles.

  3. Biocompatible self-assembly of nano-materials for Bio-MEMS and insect reconnaissance.

    SciTech Connect (OSTI)

    Brozik, Susan Marie; Cesarano, Joseph, III; Brinker, C. Jeffrey; Dunphy, Darren Robert; Sinclair, Michael B.; Manginell, Monica; Ashley, Carlee E.; Timlin, Jerilyn Ann; Werner-Washburne, Margaret C.; Calvert, Paul Davidson; Hartenberger, Tamara N.; Flemming, Jeb Hunter; Baca, Helen Kennicott

    2003-12-01

    This report summarizes the development of new biocompatible self-assembly procedures enabling the immobilization of genetically engineered cells in a compact, self-sustaining, remotely addressable sensor platform. We used evaporation induced self-assembly (EISA) to immobilize cells within periodic silica nanostructures, characterized by unimodal pore sizes and pore connectivity, that can be patterned using ink-jet printing or photo patterning. We constructed cell lines for the expression of fluorescent proteins and induced reporter protein expression in immobilized cells. We investigated the role of the abiotic/biotic interface during cell-mediated self-assembly of synthetic materials.

  4. Synthesis and Characterization of Stimuli Responsive Block Copolymers, Self-Assembly Behavior and Applications

    SciTech Connect (OSTI)

    Michael Duane Determan

    2005-12-17

    The central theme of this thesis work is to develop new block copolymer materials for biomedical applications. While there are many reports of stimuli-responsive amphiphilic [19-21] and crosslinked hydrogel materials [22], the development of an in situ gel forming, pH responsive pentablock copolymer is a novel contribution to the field, Figure 1.1 is a sketch of an ABCBA pentablock copolymer. The A blocks are cationic tertiary amine methacrylates blocked to a central Pluronic F127 triblock copolymer. In addition to the prerequisite synthetic and macromolecular characterization of these new materials, the self-assembled supramolecular structures formed by the pentablock were experimentally evaluated. This synthesis and characterization process serves to elucidate the important structure property relationships of these novel materials, The pH and temperature responsive behavior of the pentablock copolymer were explored especially with consideration towards injectable drug delivery applications. Future synthesis work will focus on enhancing and tuning the cell specific targeting of DNA/pentablock copolymer polyplexes. The specific goals of this research are: (1) Develop a synthetic route for gel forming pentablock block copolymers with pH and temperature sensitive properties. Synthesis of these novel copolymers is accomplished with ATRP, yielding low polydispersity and control of the block copolymer architecture. Well defined macromolecular characteristics are required to tailor the phase behavior of these materials. (2) Characterize relationship between the size and shape of pentablock copolymer micelles and gel structure and the pH and temperature of the copolymer solutions with SAXS, SANS and CryoTEM. (3) Evaluate the temperature and pH induced phase separation and macroscopic self-assembly phenomenon of the pentablock copolymer. (4) Utilize the knowledge gained from first three goals to design and formulate drug delivery formulations based on the multi

  5. Controlled synthesis of snowflake-like self-assemblies palladium nanostructures under microwave irradiation

    SciTech Connect (OSTI)

    Xie, Ting; Ma, Yue; Yang, Hanmin Li, Jinlin

    2013-08-01

    Graphical abstract: - Highlights: We demonstrated the synthesis of snowflake-like palladium nanostructures for the first time. We discussed the influencing factors on the synthesis of snowflake-like Pd nanostructures. The molar ratio of H{sub 2}Pd{sub 4} to PVP at 5 is the optimal selection. The growth process was discussed. - Abstract: Self-assembly snowflake-like palladium nanostructures were synthesized under microwave irradiation using H{sub 2}PdCl{sub 4} as precursor, benzyl alcohol as both solvent and reducing agent, and PVP as stabilizer. The Pd snowflake-like nanostructures were formed and then characterized by transmission electron microscopy (TEM) and X-ray powder diffraction. The TEM images showed that the Pd nano-snowflakes were self-assemblies organized by hundreds of small spherical nanoparticles. Pd snowflake-like nanostructures with well-defined shape and uniform size can be obtained by tuning the concentration of palladium precursor, the molar ratio of H{sub 2}PdCl{sub 4}/PVP, as well as the heating time by microwave irradiation. The possible growing process of the snowflake-like Pd structures was also proposed on the basis of investigating the properties of as-synthesized Pd nanostructures under different conditions.

  6. Self-assembled photosynthesis-inspired light harvesting material and solar cells containing the same

    DOE Patents [OSTI]

    Lindsey, Jonathan S.; Chinnasamy, Muthiah; Fan, Dazhong

    2009-12-15

    A solar cell is described that comprises: (a) a semiconductor charge separation material; (b) at least one electrode connected to the charge separation material; and (c) a light-harvesting film on the charge separation material, the light-harvesting film comprising non-covalently coupled, self-assembled units of porphyrinic macrocycles. The porphyrinic macrocycles preferably comprise: (i) an intramolecularly coordinated metal; (ii) a first coordinating substituent; and (iii) a second coordinating substituent opposite the first coordinating substituent. The porphyrinic macrocycles can be assembled by repeating intermolecular coordination complexes of the metal, the first coordinating substituent and the second coordinating substituent.

  7. Polar self-assembled thin films for non-linear optical materials

    DOE Patents [OSTI]

    Yang, XiaoGuang; Swanson, Basil I.; Li, DeQuan

    2000-01-01

    The design and synthesis of a family of calix[4]arene-based nonlinear optical (NLO) chromophores are discussed. The calixarene chromophores are macrocyclic compounds consisting of four simple D-.pi.-A units bridged by methylene groups. These molecules were synthesized such that four D-.pi.-A units of the calix[4]arene were aligned along the same direction with the calixarene in a cone conformation. These nonlinear optical super-chromophores were subsequently fabricated into covalently bound self-assembled monolayers on the surfaces of fused silica and silicon. Spectroscopic second harmonic generation (SHG) measurements were carried out to determine the absolute value of the dominant element of the second-order nonlinear susceptibility, d.sub.33, and the average molecular alignment, .PSI.. A value of d.sub.33 =60 pm/V at a fundamental wavelength of 890 nm, and .PSI..about.36.degree. was found with respect to the surface normal.

  8. De novo synthesis and properties of analogues of the self-assembling chlorosomal bacteriochlorophylls

    SciTech Connect (OSTI)

    Mass, Olga [North Carolina State Univ., Raleigh, NC (United States); Pandithavidana, Dinesh R. [North Carolina State Univ., Raleigh, NC (United States); Ptaszek, Marcin [North Carolina State Univ., Raleigh, NC (United States); Santiago, Koraliz [North Carolina State Univ., Raleigh, NC (United States); Springer, Joseph W. [Washington Univ., St. Louis, MO (United States); Jiao, Jieying [Univ. Of California, Riverside, CA (United States); Tang, Qun [Univ. Of California, Riverside, CA (United States); Kirmaier, Christine [Washington Univ., St. Louis, MO (United States); Bocian, David F. [Univ. Of California, Riverside, CA (United States); Holten, Dewey [Washington Univ., St. Louis, MO (United States); Lindsey, Jonathan S. [North Carolina State Univ., Raleigh, NC (United States)

    2011-01-01

    Natural photosynthetic pigments bacteriochlorophyllsc, d and e in green bacteria undergo self-assembly to create an organized antenna system known as the chlorosome, which collects photons and funnels the resulting excitation energy toward the reaction centers. Mimicry of chlorosome function is a central problem in supramolecular chemistry and artificial photosynthesis, and may have relevance for the design of photosynthesis-inspired solar cells. The main challenge in preparing artificial chlorosomes remains the synthesis of the appropriate pigment (chlorin) equipped with a set of functional groups suitable to direct the assembly and assure efficient energy transfer. Prior approaches have entailed derivatization of porphyrins or semisynthesis beginning with chlorophylls. This paper reports a third approach, the de novo synthesis of macrocycles that contain the same hydrocarbon skeleton as chlorosomal bacteriochlorophylls. The synthesis here of Zn(II) 3-(1-hydroxyethyl)-10-aryl-13-oxophorbines (the aryl group consists of phenyl, mesityl, or pentafluorophenyl) entails selective bromination of a 3,13-diacetyl-10-arylchlorin, palladium-catalyzed 13-oxophorbine formation, and selective reduction of the 3-acetyl group using BH?tBuNH?. Each macrocycle contains a geminal dimethyl group in the pyrroline ring to provide stability toward adventitious dehydrogenation. A Zn(II) 7-(1-hydroxyethyl)-10-phenyl-17-oxochlorin also has been prepared. Altogether, 30 new hydroporphyrins were synthesized. The UV-Vis absorption spectra of the new chlorosomal bacteriochlorophyll mimics reveal a bathochromic shift of [similar]1800 cm-1 of the Qy band in nonpolar solvent, indicating extensive assembly in solution. The Zn(II) 3-(1-hydroxyethyl)-10-aryl-13-oxophorbines differ in the propensity to form assemblies based on the 10-substituent in the following order: mesityl

  9. Self-assembled peptide nanotubes as electronic materials: An evaluation from first-principles calculations

    SciTech Connect (OSTI)

    Akdim, Brahim E-mail: ruth.pachter@us.af.mil; Pachter, Ruth E-mail: ruth.pachter@us.af.mil; Naik, Rajesh R.

    2015-05-04

    In this letter, we report on the evaluation of diphenylalanine (FF), dityrosine (YY), and phenylalanine-tryptophan (FW) self-assembled peptide nanotube structures for electronics and photonics applications. Realistic bulk peptide nanotube material models were used in density functional theory calculations to mimic the well-ordered tubular nanostructures. Importantly, validated functionals were applied, specifically by using a London dispersion correction to model intertube interactions and a range-separated hybrid functional for accurate bandgap calculations. Bandgaps were found consistent with available experimental data for FF, and also corroborate the higher conductance reported for FW in comparison to FF peptide nanotubes. Interestingly, the predicted bandgap for the YY tubular nanostructure was found to be slightly higher than that of FW, suggesting higher conductance as well. In addition, the band structure calculations along the high symmetry line of nanotube axis revealed a direct bandgap for FF. The results enhance our understanding of the electronic properties of these material systems and will pave the way into their application in devices.

  10. Self-Assembly of Polymer Nano-Elements on Sapphire

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    on Sapphire Print Self-assembly of polymers promises to vastly improve the properties and manufacturing processes of nanostructured materials, since self-assembly is highly...

  11. Photovoltaic self-assembly.

    SciTech Connect (OSTI)

    Lavin, Judith; Kemp, Richard Alan; Stewart, Constantine A.

    2010-10-01

    This late-start LDRD was focused on the application of chemical principles of self-assembly on the ordering and placement of photovoltaic cells in a module. The drive for this chemical-based self-assembly stems from the escalating prices in the 'pick-and-place' technology currently used in the MEMS industries as the size of chips decreases. The chemical self-assembly principles are well-known on a molecular scale in other material science systems but to date had not been applied to the assembly of cells in a photovoltaic array or module. We explored several types of chemical-based self-assembly techniques, including gold-thiol interactions, liquid polymer binding, and hydrophobic-hydrophilic interactions designed to array both Si and GaAs PV chips onto a substrate. Additional research was focused on the modification of PV cells in an effort to gain control over the facial directionality of the cells in a solvent-based environment. Despite being a small footprint research project worked on for only a short time, the technical results and scientific accomplishments were significant and could prove to be enabling technology in the disruptive advancement of the microelectronic photovoltaics industry.

  12. Synthesis and characteristic of self-assembled diamond/copper nanocomposites

    SciTech Connect (OSTI)

    Shi Xiaoqn; Jiang Xiaohong Lu Lude; Yang Xujie; Wang Xin

    2008-11-03

    Nanodiamond (ND) supported metal oxide or metal catalysts exhibit excellent catalytic activity. ND/Cu nanocomposites and Cu nanoparticles were prepared by reducing Cu(NO{sub 3}){sub 2} in reverses micelle solution. Products were analyzed by X-ray diffraction (XRD), electron paramagnetic resonance (EPR) spectra, UV-vis optical characteristic and transmission electron microscopy (TEM). From the point of nucleation and grow of crystal, ND contributed to heterogeneous nucleation of Cu nanocrystal. The reactive mechanism was explored based on theory of free energy. The formation of resultant self-assembled structures was explained through diffusion-limited aggregation model and Marangoni effect. Both Cu and ND/Cu nanoparticles were strong catalysts on decomposition of NH{sub 4}ClO{sub 4} (AP), and ND/Cu is more effective.

  13. Confined cooperative self-assembly and synthesis of optically and electrically active nanostructures : final LDRD report

    SciTech Connect (OSTI)

    Coker, Eric Nicholas; Haddad, Raid Edward; Fan, Hongyou; Ta, Anh; Bai, Feng; Rodriguez, Mark Andrew; Huang, Jian Yu

    2011-10-01

    In this project, we developed a confined cooperative self-assembly process to synthesize one-dimensional (1D) j-aggregates including nanowires and nanorods with controlled diameters and aspect ratios. The facile and versatile aqueous solution process assimilates photo-active macrocyclic building blocks inside surfactant micelles, forming stable single-crystalline high surface area nanoporous frameworks with well-defined external morphology defined by the building block packing. Characterizations using TEM, SEM, XRD, N{sub 2} and NO sorption isotherms, TGA, UV-vis spectroscopy, and fluorescence imaging and spectroscopy indicate that the j-aggregate nanostructures are monodisperse and may further assemble into hierarchical arrays with multi-modal functional pores. The nanostructures exhibit enhanced and collective optical properties over the individual chromophores. This project was a small footprint research effort which, nonetheless, produced significant progress towards both the stated goal as well as unanticipated research directions.

  14. "Plastic" Solar Cells: Self-Assembly of Bulk HeterojunctionNano...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Self-Assembly of Bulk Heterojunction Nano-Materials by Spontaneous Phase Separation ... self-assembly of bulk heterojunction (BHJ) nano-materials by spontaneous phase separation. ...

  15. Self assembled molecular monolayers on high surface area materials as molecular getters

    DOE Patents [OSTI]

    King, D.E.; Herdt, G.C.; Czanderna, A.W.

    1997-01-07

    The present invention relates to a gettering material that may be used as a filtration medium to remove pollutants from the environment. The gettering material comprises a high surface area material having a metal surface that chemically bonds n-alkanethiols in an organized manner thereby forming a molecular monolayer over the metal surface. The n-alkanethiols have a free functional group that interacts with the environment thereby binding specific pollutants that may be present. The gettering material may be exposed to streams of air in heating, ventilation, and air conditioning systems or streams of water to remove specific pollutants from either medium. 9 figs.

  16. Self assembled molecular monolayers on high surface area materials as molecular getters

    DOE Patents [OSTI]

    King, David E.; Herdt, Gregory C.; Czanderna, Alvin W.

    1997-01-01

    The present invention relates to a gettering material that may be used as a filtration medium to remove pollutants from the environment. The gettering material comprises a high surface area material having a metal surface that chemically bonds n-alkanethiols in an organized manner thereby forming a molecular monolayer over the metal surface. The n-alkanethiols have a free functional group that interacts with the environment thereby binding specific pollutants that may be present. The gettering material may be exposed to streams of air in heating, ventilation, and air conditioning systems or streams of water to remove specific pollutants from either medium.

  17. Self assembled multi-layer nanocomposite of graphene and metal oxide materials

    SciTech Connect (OSTI)

    Liu, Jun; Aksay, Ilhan A; Choi, Daiwon; Kou, Rong; Nie, Zimin; Wang, Donghai; Yang, Zhenguo

    2015-04-28

    Nanocomposite materials having at least two layers, each layer consisting of one metal oxide bonded to at least one graphene layer were developed. The nanocomposite materials will typically have many alternating layers of metal oxides and graphene layers, bonded in a sandwich type construction and will be incorporated into an electrochemical or energy storage device.

  18. Self assembled multi-layer nanocomposite of graphene and metal oxide materials

    DOE Patents [OSTI]

    Liu, Jun; Choi, Daiwon; Kou, Rong; Nie, Zimin; Wang, Donghai; Yang, Zhenguo

    2014-09-16

    Nanocomposite materials having at least two layers, each layer consisting of one metal oxide bonded to at least one graphene layer were developed. The nanocomposite materials will typically have many alternating layers of metal oxides and graphene layers, bonded in a sandwich type construction and will be incorporated into an electrochemical or energy storage device.

  19. Self assembled multi-layer nanocomposite of graphene and metal oxide materials

    DOE Patents [OSTI]

    Liu, Jun; Aksay, Ilhan A; Choi, Daiwon; Kou, Rong; Nie, Zimin; Wang, Donghai; Yang, Zhenguo

    2013-10-22

    Nanocomposite materials having at least two layers, each layer consisting of one metal oxide bonded to at least one graphene layer were developed. The nanocomposite materials will typically have many alternating layers of metal oxides and graphene layers, bonded in a sandwich type construction and will be incorporated into an electrochemical or energy storage device.

  20. Palladium catalyzed reactions executed on solid-phase peptide synthesis supports for the production of self-assembling peptides embedded with complex organic electronic subunits

    DOE Patents [OSTI]

    Tovar, John D.; Sanders, Allix M.

    2016-01-12

    Methods to synthesize self-assembling peptides embedded with complex organic electronic subunits are provided.

  1. Palladium catalyzed reactions executed on solid-phase peptide synthesis supports for the production of self-assembling peptides embedded with complex organic electronic subunits

    DOE Patents [OSTI]

    Tovar, John D; Sanders, Allix M

    2014-10-28

    Methods to synthesize self-assembling peptides embedded with complex organic electronic subunits are provided.

  2. Ordered porous mesostructured materials from nanoparticle-block copolymer self-assembly

    DOE Patents [OSTI]

    Warren, Scott; Wiesner, Ulrich; DiSalvo, Jr., Francis J

    2013-10-29

    The invention provides mesostructured materials and methods of preparing mesostructured materials including metal-rich mesostructured nanoparticle-block copolymer hybrids, porous metal-nonmetal nanocomposite mesostructures, and ordered metal mesostructures with uniform pores. The nanoparticles can be metal, metal alloy, metal mixture, intermetallic, metal-carbon, metal-ceramic, semiconductor-carbon, semiconductor-ceramic, insulator-carbon or insulator-ceramic nanoparticles, or combinations thereof. A block copolymer/ligand-stabilized nanoparticle solution is cast, resulting in the formation of a metal-rich (or semiconductor-rich or insulator-rich) mesostructured nanoparticle-block copolymer hybrid. The hybrid is heated to an elevated temperature, resulting in the formation of an ordered porous nanocomposite mesostructure. A nonmetal component (e.g., carbon or ceramic) is then removed to produce an ordered mesostructure with ordered and large uniform pores.

  3. Molecular Self-Assembly

    SciTech Connect (OSTI)

    CURRO, JOHN G.; MCCOY, JOHN DWANE; FRISCHKNECHT, AMALIE L.; YU, KUI

    2001-11-01

    This report is divided into two parts: a study of the glass transition in confined geometries, and formation mechanisms of block copolymer mesophases by solvent evaporation-induced self-assembly. The effect of geometrical confinement on the glass transition of polymers is a very important consideration for applications of polymers in nanotechnology applications. We hypothesize that the shift of the glass transition temperature of polymers in confined geometries can be attributed to the inhomogeneous density profile of the liquid. Accordingly, we assume that the glass temperature in the inhomogeneous state can be approximated by the Tg of a corresponding homogeneous, bulk polymer, but at a density equal to the average density of the inhomogeneous system. Simple models based on this hypothesis give results that are in remarkable agreement with experimental measurements of the glass transition of confined liquids. Evaporation-induced self-assembly (EISA) of block copolymers is a versatile process for producing novel, nanostructured materials and is the focus of much of the experimental work at Sandia in the Brinker group. In the EISA process, as the solvent preferentially evaporates from a cast film, two possible scenarios can occur: microphase separation or micellization of the block copolymers in solution. In the present investigation, we established the conditions that dictate which scenario takes place. Our approach makes use of scaling arguments to determine whether the overlap concentration c* occurs before or after the critical micelle concentration (CMC). These theoretical arguments are used to interpret recent experimental results of Yu and collaborators on EISA experiments on Silica/PS-PEO systems.

  4. Electronic & Magnetic Materials & Devices Capabilities | Argonne...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Electronic & Magnetic Materials & Devices Capabilities Synthesis Colloidal chemistry and self-assembly techniques Complex oxide film synthesis via molecular beam epitaxy (DCA R450...

  5. Self-Assembly of Polymer Nano-Elements on Sapphire

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Self-Assembly of Polymer Nano-Elements on Sapphire Self-Assembly of Polymer Nano-Elements on Sapphire Print Wednesday, 25 March 2009 00:00 Self-assembly of polymers promises to vastly improve the properties and manufacturing processes of nanostructured materials, since self-assembly is highly parallel, quite versatile, and easy to implement. Especially promising are novel compounds known as block copolymers, formed by two chemically different polymers that are linked together. Guided patterned

  6. Self assembling proteins

    DOE Patents [OSTI]

    Yeates, Todd O.; Padilla, Jennifer; Colovos, Chris

    2004-06-29

    Novel fusion proteins capable of self-assembling into regular structures, as well as nucleic acids encoding the same, are provided. The subject fusion proteins comprise at least two oligomerization domains rigidly linked together, e.g. through an alpha helical linking group. Also provided are regular structures comprising a plurality of self-assembled fusion proteins of the subject invention, and methods for producing the same. The subject fusion proteins find use in the preparation of a variety of nanostructures, where such structures include: cages, shells, double-layer rings, two-dimensional layers, three-dimensional crystals, filaments, and tubes.

  7. Synthesis of novel 3D SnO flower-like hierarchical architectures self-assembled by nano-leaves and its photocatalysis

    SciTech Connect (OSTI)

    Cui, Yongkui; Wang, Fengping Iqbal, M. Zubair; Wang, Ziya; Li, Yan; Tu, Jianhai

    2015-10-15

    Highlights: • Novel 3D SnO flowers self-assembled by 2D nano-leaves were synthesized by hydrothermal method. • The SnO nano-leaf is of single crystalline nature. • The band gap of 2.59 eV of as-prepared products was obtained. • The as-synthesized material will be a promising photocatalytic material. - Abstract: In this report, the novel 3D SnO flower-like hierarchical architectures self-assembled by 2D SnO nano-leaves are successfully synthesized via template-free hydrothermal approach under facile conditions. The high-resolution transmission electron microscopy results demonstrate that the 2D nano-leaves structure is of single crystalline nature. The band gap 2.59 eV for prepared product is obtained from UV–vis diffuse reflectance spectrum. The photocatalysis of the as prepared SnO for degrading methyl orange (MO) has been studied. A good photocatalytic activity is obtained and the mechanism is discussed in detail. Results indicate that the SnO nanostructures are the potential candidates for photocatalyst applications.

  8. Directed Self-Assembly of Nanodispersions

    SciTech Connect (OSTI)

    Furst, Eric M

    2013-11-15

    Directed self-assembly promises to be the technologically and economically optimal approach to industrial-scale nanotechnology, and will enable the realization of inexpensive, reproducible and active nanostructured materials with tailored photonic, transport and mechanical properties. These new nanomaterials will play a critical role in meeting the 21st century grand challenges of the US, including energy diversity and sustainability, national security and economic competitiveness. The goal of this work was to develop and fundamentally validate methods of directed selfassembly of nanomaterials and nanodispersion processing. The specific aims were: 1. Nanocolloid self-assembly and interactions in AC electric fields. In an effort to reduce the particle sizes used in AC electric field self-assembly to lengthscales, we propose detailed characterizations of field-driven structures and studies of the fundamental underlying particle interactions. We will utilize microscopy and light scattering to assess order-disorder transitions and self-assembled structures under a variety of field and physicochemical conditions. Optical trapping will be used to measure particle interactions. These experiments will be synergetic with calculations of the particle polarizability, enabling us to both validate interactions and predict the order-disorder transition for nanocolloids. 2. Assembly of anisotropic nanocolloids. Particle shape has profound effects on structure and flow behavior of dispersions, and greatly complicates their processing and self-assembly. The methods developed to study the self-assembled structures and underlying particle interactions for dispersions of isotropic nanocolloids will be extended to systems composed of anisotropic particles. This report reviews several key advances that have been made during this project, including, (1) advances in the measurement of particle polarization mechanisms underlying field-directed self-assembly, and (2) progress in the

  9. Transport and Self-Assembly in Molecular Nanosystems

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Transport and Self-Assembly in Molecular Nanosystems Key Challenges: Use classical molecular dynamics and coarse grain molecular dynamics to enable "bottom-up" material...

  10. Synthesis of carbon nanotube/anatase titania composites by a combination of sol-gel and self-assembly at low temperature

    SciTech Connect (OSTI)

    Hu Changyuan; Zhang Rongfa; Xiang Junhuai; Liu Tingzhi; Li Wenkui; Li Mingsheng; Duo Shuwang; Wei Fei

    2011-05-15

    A simple method is described for the synthesis of carbon nanotube/anatase titania composites by a combination of a sol-gel method with a self-assembly technique at 65 {sup o}C. This method makes use of polyelectrolyte for wrapping multi-walled carbon nanotube (MWCNT) and providing them with adsorption sites for electrostatically driven TiO{sub 2} nanoparticle deposition. The composites were characterized using X-ray diffraction, transmission electron microscopy, Fourier transform infrared and X-ray photoelectron spectroscopy, and photoluminescence for analyzing their crystal phase, microstructure, particle size, and other physicochemical properties. The results showed that MWCNT were covered with an anatase TiO{sub 2} thin layer or surrounded by an anatase TiO{sub 2} thick coating, which is constructed of TiO{sub 2} particles about 6 nm in size. The composites were rich in surface hydroxyl groups. The excited e{sup -} in conduction band of TiO{sub 2} may migrate to MWCNT. Concerning the potential applicability, MWCNT/TiO{sub 2} composites showed excellent photocatalytic activity toward the photodegradation of methyl orange. -- Graphical abstract: MWCNT/anatase TiO{sub 2} composites have been prepared by a combination of a sol-gel method and a self-assembly technique in one step at low temperature without high temperature calcination. Display Omitted Highlights: {yields} MWCNT/anatase TiO{sub 2} composites could be prepared in one-pot at low temperature. {yields} MWCNT were covered with a TiO{sub 2} thin layer or surrounded by a TiO{sub 2} thick coating. {yields} Composites were rich in surface hydroxyl groups. {yields} Composites showed excellent photodegradation activity of methyl orange.

  11. Self-Assembly of Polymer Nano-Elements on Sapphire

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Self-Assembly of Polymer Nano-Elements on Sapphire Print Self-assembly of polymers promises to vastly improve the properties and manufacturing processes of nanostructured materials, since self-assembly is highly parallel, quite versatile, and easy to implement. Especially promising are novel compounds known as block copolymers, formed by two chemically different polymers that are linked together. Guided patterned arrays have been produced using electron-beam lithographic techniques or

  12. Self-Assembly of Polymer Nano-Elements on Sapphire

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Self-Assembly of Polymer Nano-Elements on Sapphire Print Self-assembly of polymers promises to vastly improve the properties and manufacturing processes of nanostructured materials, since self-assembly is highly parallel, quite versatile, and easy to implement. Especially promising are novel compounds known as block copolymers, formed by two chemically different polymers that are linked together. Guided patterned arrays have been produced using electron-beam lithographic techniques or

  13. Self-Assembly of Polymer Nano-Elements on Sapphire

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Self-Assembly of Polymer Nano-Elements on Sapphire Print Self-assembly of polymers promises to vastly improve the properties and manufacturing processes of nanostructured materials, since self-assembly is highly parallel, quite versatile, and easy to implement. Especially promising are novel compounds known as block copolymers, formed by two chemically different polymers that are linked together. Guided patterned arrays have been produced using electron-beam lithographic techniques or

  14. Self-Assembly of Polymer Nano-Elements on Sapphire

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Self-Assembly of Polymer Nano-Elements on Sapphire Print Self-assembly of polymers promises to vastly improve the properties and manufacturing processes of nanostructured materials, since self-assembly is highly parallel, quite versatile, and easy to implement. Especially promising are novel compounds known as block copolymers, formed by two chemically different polymers that are linked together. Guided patterned arrays have been produced using electron-beam lithographic techniques or

  15. Self-Assembly of Polymer Nano-Elements on Sapphire

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Self-Assembly of Polymer Nano-Elements on Sapphire Print Self-assembly of polymers promises to vastly improve the properties and manufacturing processes of nanostructured materials, since self-assembly is highly parallel, quite versatile, and easy to implement. Especially promising are novel compounds known as block copolymers, formed by two chemically different polymers that are linked together. Guided patterned arrays have been produced using electron-beam lithographic techniques or

  16. Self-Assembly of Polymer Nano-Elements on Sapphire

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Self-Assembly of Polymer Nano-Elements on Sapphire Print Self-assembly of polymers promises to vastly improve the properties and manufacturing processes of nanostructured materials, since self-assembly is highly parallel, quite versatile, and easy to implement. Especially promising are novel compounds known as block copolymers, formed by two chemically different polymers that are linked together. Guided patterned arrays have been produced using electron-beam lithographic techniques or

  17. Self-Assembly of Polymer Nano-Elements on Sapphire

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Self-Assembly of Polymer Nano-Elements on Sapphire Print Self-assembly of polymers promises to vastly improve the properties and manufacturing processes of nanostructured materials, since self-assembly is highly parallel, quite versatile, and easy to implement. Especially promising are novel compounds known as block copolymers, formed by two chemically different polymers that are linked together. Guided patterned arrays have been produced using electron-beam lithographic techniques or

  18. GeSi strained nanostructure self-assembly for nano- and opto...

    Office of Scientific and Technical Information (OSTI)

    Strain-induced self-assembly during semiconductor heteroepitaxy offers a promising ... DOTS; QUANTUM WIRES Optoelectronic devices.; Nanostructure materials.; ...

  19. Self-assembled nanolaminate coatings (SV)

    SciTech Connect (OSTI)

    Fan, H.

    2012-03-01

    Sandia National Laboratories (Sandia) and Lockheed Martin Aeronautics (LM Aero) are collaborating to develop affordable, self-assembled, nanocomposite coatings and associated fabrication processes that will be tailored to Lockheed Martin product requirements. The purpose of this project is to develop a family of self-assembled coatings with properties tailored to specific performance requirements, such as antireflective (AR) optics, using Sandia-developed self-assembled techniques. The project met its objectives by development of a simple and economic self-assembly processes to fabricate multifunctional coatings. Specifically, materials, functionalization methods, and associated coating processes for single layer and multiple layers coatings have been developed to accomplish high reflective coatings, hydrophobic coatings, and anti-reflective coatings. Associated modeling and simulations have been developed to guide the coating designs for optimum optical performance. The accomplishments result in significant advantages of reduced costs, increased manufacturing freedom/producibility, improved logistics, and the incorporation of new technology solutions not possible with conventional technologies. These self-assembled coatings with tailored properties will significantly address LMC's needs and give LMC a significant competitive lead in new engineered materials. This work complements SNL's LDRD and BES programs aimed at developing multifunctional nanomaterials for microelectronics and optics as well as structure/property investigations of self-assembled nanomaterials. In addition, this project will provide SNL with new opportunities to develop and apply self-assembled nanocomposite optical coatings for use in the wavelength ranges of 3-5 and 8-12 micrometers, ranges of vital importance to military-based sensors and weapons. The SANC technologies will be applied to multiple programs within the LM Company including the F-35, F-22, ADP (Future Strike Bomber, UAV, UCAV

  20. Magnetic manipulation of self-assembled colloidal asters.

    SciTech Connect (OSTI)

    Snezhko, A.; Aranson, I. S.

    2011-09-01

    Self-assembled materials must actively consume energy and remain out of equilibrium to support structural complexity and functional diversity. Here we show that a magnetic colloidal suspension confined at the interface between two immiscible liquids and energized by an alternating magnetic field dynamically self-assembles into localized asters and arrays of asters, which exhibit locomotion and shape change. By controlling a small external magnetic field applied parallel to the interface, we show that asters can capture, transport, and position target microparticles. The ability to manipulate colloidal structures is crucial for the further development of self-assembled microrobots

  1. Semiconductor nanocrystals covalently bound to solid inorganic surfaces using self-assembled monolayers

    DOE Patents [OSTI]

    Alivisatos, A. Paul; Colvin, Vicki L.

    1998-01-01

    Methods are described for attaching semiconductor nanocrystals to solid inorganic surfaces, using self-assembled bifunctional organic monolayers as bridge compounds. Two different techniques are presented. One relies on the formation of self-assembled monolayers on these surfaces. When exposed to solutions of nanocrystals, these bridge compounds bind the crystals and anchor them to the surface. The second technique attaches nanocrystals already coated with bridge compounds to the surfaces. Analyses indicate the presence of quantum confined clusters on the surfaces at the nanolayer level. These materials allow electron spectroscopies to be completed on condensed phase clusters, and represent a first step towards synthesis of an organized assembly of clusters. These new products are also disclosed.

  2. Semiconductor nanocrystals covalently bound to solid inorganic surfaces using self-assembled monolayers

    DOE Patents [OSTI]

    Alivisatos, A.P.; Colvin, V.L.

    1998-05-12

    Methods are described for attaching semiconductor nanocrystals to solid inorganic surfaces, using self-assembled bifunctional organic monolayers as bridge compounds. Two different techniques are presented. One relies on the formation of self-assembled monolayers on these surfaces. When exposed to solutions of nanocrystals, these bridge compounds bind the crystals and anchor them to the surface. The second technique attaches nanocrystals already coated with bridge compounds to the surfaces. Analyses indicate the presence of quantum confined clusters on the surfaces at the nanolayer level. These materials allow electron spectroscopies to be completed on condensed phase clusters, and represent a first step towards synthesis of an organized assembly of clusters. These new products are also disclosed. 10 figs.

  3. X-shaped Electro-Optic Chromophore with Remarkably Blue-Shifted Optical Absorption. Synthesis, Characterization, Linear/Nonlinear Optical Properties, Self-Assembly, and Thin Film Microstructural Characteristics

    SciTech Connect (OSTI)

    Kang,H.; Evmenenko, G.; Dutta, P.; Clays, K.; Song, K.; Marks, T.

    2006-01-01

    A novel type of 'X-shaped' two-dimensional electro-optic (EO) chromophore with extended conjugation has been synthesized and characterized. This chromophore is found to exhibit a remarkably blue-shifted optical maximum (357 nm in CH{sub 2}Cl{sub 2}) while maintaining a very large first hyperpolarizability ({beta}). Hyper-Rayleigh Scattering (HRS) measurements at 800 nm provide a {beta}{sub zzz} value of 1840 x 10{sup -30} esu. Self-assembled thin films of this chromophore were fabricated via a layer-by-layer chemisorptive siloxane-based approach. The chromophoric multilayers have been characterized by transmission optical spectroscopy, advancing contact angle measurements, synchrotron X-ray reflectivity, atomic force microscopy, and angle-dependent polarized second harmonic generation spectroscopy. The self-assembled chromophoric films exhibit a dramatically blue-shifted optical maximum (325 nm) while maintaining a large EO response ({chi}({sup 2}){sub 333} {approx} 232 pm/V at 1064 nm; r{sub 33} {approx} 45 pm/V at 1310 nm). This work demonstrates an attractive approach to developing EO materials offering improved nonlinearity-transparency trade-offs.

  4. Nano-engineering by optically directed self-assembly.

    SciTech Connect (OSTI)

    Furst, Eric; Dunn, Elissa; Park, Jin-Gyu; Brinker, C. Jeffrey; Sainis, Sunil; Merrill, Jason; Dufresne, Eric; Reichert, Matthew D.; Brotherton, Christopher M.; Bogart, Katherine Huderle Andersen; Molecke, Ryan A.; Koehler, Timothy P.; Bell, Nelson Simmons; Grillet, Anne Mary; Gorby, Allen D.; Singh, John; Lele, Pushkar; Mittal, Manish

    2009-09-01

    Lack of robust manufacturing capabilities have limited our ability to make tailored materials with useful optical and thermal properties. For example, traditional methods such as spontaneous self-assembly of spheres cannot generate the complex structures required to produce a full bandgap photonic crystals. The goal of this work was to develop and demonstrate novel methods of directed self-assembly of nanomaterials using optical and electric fields. To achieve this aim, our work employed laser tweezers, a technology that enables non-invasive optical manipulation of particles, from glass microspheres to gold nanoparticles. Laser tweezers were used to create ordered materials with either complex crystal structures or using aspherical building blocks.

  5. Composition and method for self-assembly and mineralization of peptide-amphiphiles

    DOE Patents [OSTI]

    Stupp, Samuel I.; Beniash, Elia; Hartgerink, Jeffrey D.

    2012-02-28

    The present invention is directed to a composition useful for making homogeneously mineralized self assembled peptide-amphiphile nanofibers and nanofiber gels. The composition is generally a solution comprised of a positively or negatively charged peptide-amphiphile and a like signed ion from the mineral. Mixing this solution with a second solution containing a dissolved counter-ion of the mineral and/or a second oppositely charged peptide amphiphile, results in the rapid self assembly of the peptide-amphiphiles into a nanofiber gel and templated mineralization of the ions. Templated mineralization of the initially dissolved mineral cations and anions in the mixture occurs with preferential orientation of the mineral crystals along the fiber surfaces within the nanofiber gel. One advantage of the present invention is that it results in homogenous growth of the mineral throughout the nanofiber gel. Another advantage of the present invention is that the nanofiber gel formation and mineralization reactions occur in a single mixing step and under substantially neutral or physiological pH conditions. These homogeneous nanostructured composite materials are useful for medical applications especially the regeneration of damaged bone in mammals. This invention is directed to the synthesis of peptide-amphiphiles with more than one amphiphilic moment and to supramolecular compositions comprised of such multi-dimensional peptide-amphiphiles. Supramolecular compositions can be formed by self assembly of multi-dimensional peptide-amphiphiles by mixing them with a solution comprising a monovalent cation.

  6. Composition and method for self-assembly and mineralization of peptide amphiphiles

    DOE Patents [OSTI]

    Stupp, Samuel I.; Beniash, Elia; Hartgerink, Jeffrey D.

    2009-06-30

    The present invention is directed to a composition useful for making homogeneously mineralized self assembled peptide-amphiphile nanofibers and nanofiber gels. The composition is generally a solution comprised of a positively or negatively charged peptide-amphiphile and a like signed ion from the mineral. Mixing this solution with a second solution containing a dissolved counter-ion of the mineral and/or a second oppositely charged peptide amphiphile, results in the rapid self assembly of the peptide-amphiphiles into a nanofiber gel and templated mineralization of the ions. Templated mineralization of the initially dissolved mineral cations and anions in the mixture occurs with preferential orientation of the mineral crystals along the fiber surfaces within the nanofiber gel. One advantage of the present invention is that it results in homogenous growth of the mineral throughout the nanofiber gel. Another advantage of the present invention is that the nanofiber gel formation and mineralization reactions occur in a single mixing step and under substantially neutral or physiological pH conditions. These homogeneous nanostructured composite materials are useful for medical applications especially the regeneration of damaged bone in mammals. This invention is directed to the synthesis of peptide-amphiphiles with more than one amphiphilic moment and to supramolecular compositions comprised of such multi-dimensional peptide-amphiphiles. Supramolecular compositions can be formed by self assembly of multi-dimensional peptide-amphiphiles by mixing them with a solution comprising a monovalent cation.

  7. Synthesis of self-assembled layered double hydroxides/carbon composites by in situ solvothermal method and their application in capacitors

    SciTech Connect (OSTI)

    Wei, Jinbo; Wang, Jun; Song, Yanchao; Li, Zhanshuang; Gao, Zan; Mann, Tom; Zhang, Milin

    2012-12-15

    Nickel-aluminum layered double hydroxides/carbon (Ni-Al LDHs/C) composites have been successfully fabricated via a facile in situ water-ethanol system. LDHs nanosheets could highly disperse on the surface of colloidal carbonaceous spheres through the interfacial electrostatic force. Ni-Al LDHs/C composite electrode prepared at 50% ethanol system exhibits the highest capacitance of 1064 F g{sup -1} at a current of 2.5 A g{sup -1}, leading to a significant improvement in relation to each individual counterpart (3.5 and 463 F g{sup -1} for carbon and Ni-Al LDHs at 2.5 A g{sup -1}, respectively). And a possible mechanism was proposed for the formation of the composites. Highlights: Black-Right-Pointing-Pointer Ni-Al LDHs/C composites have been self-assembled by an in situ solvothermal method. Black-Right-Pointing-Pointer A possible growth mechanism to explain the composite is proposed. Black-Right-Pointing-Pointer Ni-Al LDHs/C composites display better electrochemical performance.

  8. Self-Assembly of Polymer Nano-Elements on Sapphire

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Self-Assembly of Polymer Nano-Elements on Sapphire Self-Assembly of Polymer Nano-Elements on Sapphire Print Wednesday, 25 March 2009 00:00 Self-assembly of polymers promises to ...

  9. Tuning the reactivity of Al/Fe{sub 2}O{sub 3} nanoenergetic materials via an approach combining soft template self-assembly with sol–gel process process

    SciTech Connect (OSTI)

    Zhang, Tianfu; Wang, Zhen; Li, Guoping; Luo, Yunjun

    2015-10-15

    A bottom-up approach combining soft template self-assembly with sol–gel process, was adopted to prepare the assembled Al/Fe{sub 2}O{sub 3} nanoenergetic materials, assembly-Al/Fe{sub 2}O{sub 3} sample. The other two unassembled Al/Fe{sub 2}O{sub 3}a nanoenergetic materials, sol–gel–Al/Fe{sub 2}O{sub 3} sample and mixing-Al/Fe{sub 2}O{sub 3} sample, were prepared by sol–gel method and physical mixing method respectively. The assembly process within the preparation of the assembly-Al/Fe{sub 2}O{sub 3} sample was analyzed through the changes in the average hydrodynamic diameters of the particles and the micelles in solution. SEM, EDS and TEM tests were performed to demonstrate a significant improvement regarding to dispersity and arrangements of the Al and Fe{sub 2}O{sub 3} particles in the assembled samples, compared to that of the unassembled Al/Fe{sub 2}O{sub 3} samples. DSC test was employed to characterize the reactivity of the samples. The heat release of the assembled Al/Fe{sub 2}O{sub 3} sample was 2088 J/g, about 400 and 990 J/g more than that of the sol–gel–Al/Fe{sub 2}O{sub 3} sample and mixing-Al/Fe{sub 2}O{sub 3} sample, respectively. - Graphical abstract: Modified aluminum (Al) nanoparticles with hydrophobic surface assembled into the Brij S10 micelle in Fe(III) sol, then the well dispersed system was transformed into Al/Fe{sub 2}O{sub 3} nanoenergetic materials with high reactivity. - Highlights: • An approach combining soft template self-assembly with sol–gel process was adopted. • The aggregation of Al nanoparticles in the final product was reduced significantly. • The reactivity of Al/Fe{sub 2}O{sub 3} nanoenergetic materials was improved to a large extent.

  10. First self-assembled superconductor structure created > EMC2 News > The

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Energy Materials Center at Cornell First self-assembled superconductor structure created January 29th, 2016 › By Tom Fleischman Lindsay France/University Photography Group leader Ulrich Wiesner, right, the Spencer T. Olin Professor of Engineering, and graduate student and co-lead author Peter Beaucage, second from right, hold models of the self-assembled gyroid superconductor the group created. Also pictured are Bruce van Dover, left, professor in the Department of Materials Science and

  11. Surfactant mediated polyelectrolyte self-assembly

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Goswami, Monojoy; Borreguero Calvo, Jose M.; Pincus, Phillip A.; Sumpter, Bobby G.

    2015-11-25

    Self-assembly and dynamics of polyelectrolyte (PE) surfactant complex (PES) is investigated using molecular dynamics simulations. The complexation is systematically studied for five different PE backbone charge densities. At a fixed surfactant concentration the PES complexation exhibits pearl-necklace to agglomerated double spherical structures with a PE chain decorating the surfactant micelles. The counterions do not condense on the complex, but are released in the medium with a random distribution. The relaxation dynamics for three different length scales, polymer chain, segmental and monomer, show distinct features of the charge and neutral species; the counterions are fastest followed by the PE chain andmore » surfactants. The surfactant heads and tails have the slowest relaxation due to their restricted movement inside the agglomerated structure. At the shortest length scale, all the charge and neutral species show similar relaxation dynamics confirming Rouse behavior at monomer length scales. Overall, the present study highlights the structure-property relationship for polymer-surfactant complexation. These results will help improve the understanding of PES complex and should aid in the design of better materials for future applications.« less

  12. Surfactant mediated polyelectrolyte self-assembly

    SciTech Connect (OSTI)

    Goswami, Monojoy; Borreguero Calvo, Jose M.; Pincus, Phillip A.; Sumpter, Bobby G.

    2015-11-25

    Self-assembly and dynamics of polyelectrolyte (PE) surfactant complex (PES) is investigated using molecular dynamics simulations. The complexation is systematically studied for five different PE backbone charge densities. At a fixed surfactant concentration the PES complexation exhibits pearl-necklace to agglomerated double spherical structures with a PE chain decorating the surfactant micelles. The counterions do not condense on the complex, but are released in the medium with a random distribution. The relaxation dynamics for three different length scales, polymer chain, segmental and monomer, show distinct features of the charge and neutral species; the counterions are fastest followed by the PE chain and surfactants. The surfactant heads and tails have the slowest relaxation due to their restricted movement inside the agglomerated structure. At the shortest length scale, all the charge and neutral species show similar relaxation dynamics confirming Rouse behavior at monomer length scales. Overall, the present study highlights the structure-property relationship for polymer-surfactant complexation. These results will help improve the understanding of PES complex and should aid in the design of better materials for future applications.

  13. Preface: Special Topic on Supramolecular Self-Assembly at Surfaces

    SciTech Connect (OSTI)

    Bartels, Ludwig; Ernst, Karl-Heinz; Gao, Hong-Jun; Thiel, Patricia A.

    2015-03-14

    Supramolecular self-assembly at surfaces is one of the most exciting and active fields in Surface Science today. Applications can take advantage of two key properties: (i) versatile pattern formation over a broad length scale and (ii) tunability of electronic structure and transport properties, as well as frontier orbital alignment. It provides a new frontier for Chemical Physics as it uniquely combines the versatility of Organic Synthesis and the Physics of Interfaces. The Journal of Chemical Physics is pleased to publish this Special Topic Issue, showcasing recent advances and new directions.

  14. Molecular pathways for defect annihilation in directed self-assembly.

    SciTech Connect (OSTI)

    Hur, Su-Mi; Thapar, Vikram; Ramirez-Hernandez, Abelardo; Khaira, Gurdaman S.; Segal-Peretz, Tamar; Rincon-Delgadillo, Paulina A.; Li, Weihua; Muller, Marcus; Nealey, Paul F.; de Pablo, Juan J.

    2015-11-17

    Over the last few years, the directed self-assembly of block copolymers by surface patterns has transitioned from academic curiosity to viable contender for commercial fabrication of next-generation nanocircuits by lithography. Recently, it has become apparent that kinetics, and not only thermodynamics, plays a key role for the ability of a polymeric material to self-assemble into a perfect, defect-free ordered state. Perfection, in this context, implies not more than one defect, with characteristic dimensions on the order of 5 nm, over a sample area as large as 100 cm2. In this work, we identify the key pathways and the corresponding free-energy barriers for eliminating defects, and we demonstrate that an extraordinarily large thermodynamic driving force is not necessarily sufficient for their removal. By adopting a concerted computational and experimental approach, we explain the molecular origins of these barriers, how they depend on material characteristics, and we propose strategies designed to over-come them. The validity of our conclusions for industrially-relevant patterning processes is established by relying on instruments and assembly lines that are only available at state-of-the-art fabrication facilities and, through this confluence of fundamental and applied research, we are able to discern the evolution of morphology at the smallest relevant length scales - a handful of nanometers -, and present a view of defect annihilation in directed self-assembly at an unprecedented level of detail.

  15. Self-Assembly of Polymer Nano-Elements on Sapphire

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Self-Assembly of Polymer Nano-Elements on Sapphire Print Self-assembly of polymers ... electron-beam lithographic techniques or nano-imprint lithography, but these methods are ...

  16. A New Route to Nano Self-Assembly

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A New Route to Nano Self-Assembly A New Route to Nano Self-Assembly Print Wednesday, 24 February 2010 00:00 If the promise of nanotechnology is to be fulfilled, nanoparticles will ...

  17. Guided Self-Assembly of Gold Thin Films

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Guided Self-Assembly of Gold Thin Films Guided Self-Assembly of Gold Thin Films Print Wednesday, 21 November 2012 12:18 Nanoparticles-man-made atoms with unique optical, ...

  18. Electrostatically Self-assembled Amphiplexes

    SciTech Connect (OSTI)

    Helmut H. Strey

    2011-02-15

    This research will focus on characterizing the phase behavior of polyelectrolyte-surfactant microemulsions (PSM) that were recently discovered in our lab and indentifing possible uses of their long-range ordered nanostructures towards bioseparation, oil-recovery and drug delivery systems. In addition, we are proposing strategies for synthesizing solid and long-range ordered materials with unit cells on the nanometer scale using polymerization and/or cross-linking to solidify the soft template.

  19. Self-Assembled, Nanostructured Carbon for Energy Storage and Water Treatment

    SciTech Connect (OSTI)

    2009-03-01

    This factsheet describes a research project whose goal is to translate a unique approach for the synthesis of self-assembled nanostructured carbon into industrially viable technologies for two important, large-scale applications: electrochemical double-layer capacitors (also referred to as ultracapacitors) for electrical energy storage, and capacitive deionization (CDI) systems for water treatment and desalination.

  20. Self-assembling membranes and related methods thereof

    DOE Patents [OSTI]

    Capito, Ramille M; Azevedo, Helena S; Stupp, Samuel L

    2013-08-20

    The present invention relates to self-assembling membranes. In particular, the present invention provides self-assembling membranes configured for securing and/or delivering bioactive agents. In some embodiments, the self-assembling membranes are used in the treatment of diseases, and related methods (e.g., diagnostic methods, research methods, drug screening).

  1. Controlled Self-Assembly in Ternary Polymers

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Controlled Self-Assembly in Ternary Polymers - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Energy Defense Waste Management

  2. Self-assembled ultra small ZnO nanocrystals for dye-sensitized solar cell application

    SciTech Connect (OSTI)

    Patra, Astam K.; Dutta, Arghya; Bhaumik, Asim

    2014-07-01

    We demonstrate a facile chemical approach to produce self-assembled ultra-small mesoporous zinc oxide nanocrystals using sodium salicylate (SS) as a template under hydrothermal conditions. These ZnO nanomaterials have been successfully fabricated as a photoanode for the dye-sensitized solar cell (DSSC) in the presence of N719 dye and iodinetriiodide electrolyte. The structural features, crystallinity, purity, mesophase and morphology of the nanostructure ZnO are investigated by several characterization tools. N{sub 2} sorption analysis revealed high surface areas (203 m{sup 2} g{sup ?1}) and narrow pore size distributions (5.15.4 nm) for different samples. The mesoporous structure and strong photoluminescence facilitates the high dye loading at the mesoscopic void spaces and light harvesting in DSSC. By utilizing this ultra-small ZnO photoelectrode with film thickness of about 7 ?m in the DSSC with an open-circuit voltage (V{sub OC}) of 0.74 V, short-circuit current density (J{sub SC}) of 3.83 mA cm{sup ?2} and an overall power conversion efficiency of 1.12% has been achieved. - Graphical abstract: Ultra-small ZnO nanocrystals have been synthesized with sodium salicylate as a template and using it as a photoanode in a dye-sensitized solar cell 1.12% power conversion efficiency has been observed. - Highlights: Synthesis of self-assembled ultra-small mesoporous ZnO nanocrystals by using sodium salicylate as a template. Mesoporous ZnO materials have high BET surface areas and void space. ZnO nanoparticles serve as a photoanode for the dye-sensitized solar cell (DSSC). Using ZnO nanocrystals as photoelectrode power conversion efficiency of 1.12% has been achieved.

  3. Emergence of reconfigurable wires and spinners via dynamic self-assembly

    SciTech Connect (OSTI)

    Kokot, Gasper; Piet, David; Whitesides, George M.; Aranson, Igor S.; Snezhko, Alexey

    2015-03-26

    Dissipative colloidal materials use energy to generate and maintain structural complexity. The energy injection rate, and properties of the environment are important control parameters that influence the outcome of dynamic self-assembly. Here we demonstrate that dispersions of magnetic microparticles confined at the air-liquid interface, and energized by a uniaxial in-plane alternating magnetic field, self-assemble into a variety of structures that range from pulsating clusters and single-particle-thick wires to dynamic arrays of spinners (self-assembled short chains) rotating in either direction. The spinners emerge via spontaneous breaking of the uniaxial symmetry of the energizing magnetic field. Demonstration of the formation and disaggregation of particle assemblies suggests strategies to form new meso-scale structures with the potential to perform functions such as mixing and sensing.

  4. Emergence of reconfigurable wires and spinners via dynamic self-assembly

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kokot, Gasper; Piet, David; Whitesides, George M.; Aranson, Igor S.; Snezhko, Alexey

    2015-03-26

    Dissipative colloidal materials use energy to generate and maintain structural complexity. The energy injection rate, and properties of the environment are important control parameters that influence the outcome of dynamic self-assembly. Here we demonstrate that dispersions of magnetic microparticles confined at the air-liquid interface, and energized by a uniaxial in-plane alternating magnetic field, self-assemble into a variety of structures that range from pulsating clusters and single-particle-thick wires to dynamic arrays of spinners (self-assembled short chains) rotating in either direction. The spinners emerge via spontaneous breaking of the uniaxial symmetry of the energizing magnetic field. Demonstration of the formation and disaggregationmore » of particle assemblies suggests strategies to form new meso-scale structures with the potential to perform functions such as mixing and sensing.« less

  5. Computational Design of Self-Assembling Protein Nanomaterials with Atomic Level Accuracy

    SciTech Connect (OSTI)

    King, Neil P.; Sheffler, William; Sawaya, Michael R.; Vollmar, Breanna S.; Sumida, John P.; André, Ingemar; Gonen, Tamir; Yeates, Todd O.; Baker, David

    2015-09-17

    We describe a general computational method for designing proteins that self-assemble to a desired symmetric architecture. Protein building blocks are docked together symmetrically to identify complementary packing arrangements, and low-energy protein-protein interfaces are then designed between the building blocks in order to drive self-assembly. We used trimeric protein building blocks to design a 24-subunit, 13-nm diameter complex with octahedral symmetry and a 12-subunit, 11-nm diameter complex with tetrahedral symmetry. The designed proteins assembled to the desired oligomeric states in solution, and the crystal structures of the complexes revealed that the resulting materials closely match the design models. The method can be used to design a wide variety of self-assembling protein nanomaterials.

  6. Directing Self-Assembly of Heterogeneous NanoSystems | MIT-Harvard Center

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    for Excitonics Directing Self-Assembly of Heterogeneous NanoSystems December 5, 2013 at 3pm/36-428 Alfredo Alexander-Katz Department of Material Science and Engineering, Massachusetts Institute of Technology alexander-katz_004 Abstract: Directed self-assembly of block copolymers is a route to obtain tailored 2D patterns on the 10nm scale that have a high degree of order. These patterns are promising for applications in multiple areas, including sub 10nm lithography, light harvesting, and

  7. Charge Retention by Organometallic Dications on Self-Assembled...

    Office of Scientific and Technical Information (OSTI)

    Charge Retention by Organometallic Dications on Self-Assembled Monolayer Surfaces Citation Details In-Document Search Title: Charge Retention by Organometallic Dications on ...

  8. Nanoparticle Superlattices by Self-Assembly | The Ames Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Nanoparticle Superlattices by Self-Assembly The project involves using state of the art computational tools: Python programming and Graphic Processing Units (GPUs) to develop...

  9. Self-assembled software and method of overriding software execution

    DOE Patents [OSTI]

    Bouchard, Ann M.; Osbourn, Gordon C.

    2013-01-08

    A computer-implemented software self-assembled system and method for providing an external override and monitoring capability to dynamically self-assembling software containing machines that self-assemble execution sequences and data structures. The method provides an external override machine that can be introduced into a system of self-assembling machines while the machines are executing such that the functionality of the executing software can be changed or paused without stopping the code execution and modifying the existing code. Additionally, a monitoring machine can be introduced without stopping code execution that can monitor specified code execution functions by designated machines and communicate the status to an output device.

  10. A New Route to Nano Self-Assembly

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    critical to tailoring the macroscopic properties during nanoparticle assembly. Although DNA has been used to induce self-assembly of nanoparticles with a high degree of...

  11. Computational Design of Self-Assembling Protein Nanomaterials...

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Search Results Journal Article: Computational Design of Self-Assembling Protein Nanomaterials with Atomic Level Accuracy Citation Details In-Document Search Title: ...

  12. Guided Self-Assembly of Gold Thin Films

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Berkeley Lab and UC Berkeley scientists have made progress toward this goal, successfully directing the self--assembly of nanoparticles into device-ready thin films, which have...

  13. Self Assembly of Boronic Acid-Functionalized Peptides. (Conference...

    Office of Scientific and Technical Information (OSTI)

    Title: Self Assembly of Boronic Acid-Functionalized Peptides. Abstract not provided. Authors: Jones, Brad Howard ; Martinez, Alina Marissa ; Wheeler, Jill S. ; McKenzie, Bonnie B. ...

  14. Fabrication of Transparent Capacitive Structure by Self-Assembled Thin Films

    SciTech Connect (OSTI)

    Zhang, Q.; Shing, Y. J.; Hua, Feng; Saraf, Laxmikant V.; Matson, Dean W.

    2008-06-01

    An approach to fabricating transparent electronic devices by using nanomaterial and nanofabrication is presented in this paper. A see-through capacitor is constructed from selfassembled silica nanoparticle layers that are stacked on the transparent substrate. The electrodes are made of indium tin oxide. Unlike the traditional processes used to fabricate such devices, the self-assembly approach enables one to synthesize the thin film layers at lower temperature and cost, and with a broader availability of nanomaterials. The vertical dimension of the selfassembled thin films can be precisely controlled, as well as the molecular order in the thin film layers. The shape of the capacitor is generated by planar micropatterning. The quartz crystal demonstrates the steady growth of the silica nanoparticle multilayer. In addition, because the nanomaterial synthesis and the device fabrication steps are separate, the device is not affected by the harsh conditions required for the material synthesis. A clear pattern is allowed over a large area on the substrate. The prepared capacitive structure has an optical transparency higher than 92% over the visible spectrum. The capacitive impedance is measured at different frequencies and fit the theoretical results. As one of the fundamental components, this type of capacitive structure can serve in the transparent circuits, interactive media and sensors, as well as being applicable to other transparent devices.

  15. Self-assembling multimeric nucleic acid constructs

    DOE Patents [OSTI]

    Cantor, Charles R.; Niemeyer, Christof M.; Smith, Cassandra L.; Sano, Takeshi; Hnatowich, Donald J.; Rusckowski, Mary

    1999-10-12

    The invention is directed to constructs and compositions containing multimeric forms of nucleic acid. Multimeric nucleic acids comprise single-stranded nucleic acids attached via biotin to streptavidin and bound with a functional group. These constructs can be utilized in vivo to treat or identify diseased tissue or cells. Repeated administrations of multimeric nucleic acid compositions produce a rapid and specific amplification of nucleic acid constructs and their attached functional groups. For treatment purposes, functional groups may be toxins, radioisotopes, genes or enzymes. Diagnostically, labeled multimeric constructs may be used to identify specific targets in vivo or in vitro. Multimeric nucleic acids may also be used in nanotechnology and to create self-assembling polymeric aggregates such as membranes of defined porosity, microcircuits and many other products.

  16. Self-assembling multimeric nucleic acid constructs

    DOE Patents [OSTI]

    Cantor, Charles R.; Niemeyer, Christof M.; Smith, Cassandra L.; Sano, Takeshi; Hnatowich, Donald J.; Rusckowski, Mary

    1996-01-01

    The invention is directed to constructs and compositions containing multimeric forms of nucleic acid. Multimeric nucleic acids comprise single-stranded nucleic acids attached via biotin to streptavidin and bound with a functional group. These constructs can be utilized in vivo to treat or identify diseased tissue or cells. Repeated administrations of multimeric nucleic acid compositions produce a rapid and specific amplification of nucleic acid constructs and their attached functional groups. For treatment purposes, functional groups may be toxins, radioisotopes, genes or enzymes. Diagnostically, labeled multimeric constructs may be used to identify specific targets in vivo or in vitro. Multimeric nucleic acids may also be used in nanotechnology and to create self-assembling polymeric aggregates such as membranes of defined porosity, microcircuits and many other products.

  17. Self-assembling multimeric nucleic acid constructs

    DOE Patents [OSTI]

    Cantor, C.R.; Niemeyer, C.M.; Smith, C.L.; Sano, Takeshi; Hnatowich, D.J.; Rusckowski, M.

    1996-10-01

    The invention is directed to constructs and compositions containing multimeric forms of nucleic acid. Multimeric nucleic acids comprise single-stranded nucleic acids attached via biotin to streptavidin and bound with a functional group. These constructs can be utilized in vivo to treat or identify diseased tissue or cells. Repeated administrations of multimeric nucleic acid compositions produce a rapid and specific amplification of nucleic acid constructs and their attached functional groups. For treatment purposes, functional groups may be toxins, radioisotopes, genes or enzymes. Diagnostically, labeled multimeric constructs may be used to identify specific targets in vivo or in vitro. Multimeric nucleic acids may also be used in nanotechnology and to create self-assembling polymeric aggregates such as membranes of defined porosity, microcircuits and many other products. 5 figs.

  18. Synthesis of refractory materials

    DOE Patents [OSTI]

    Holt, J.B.

    Refractory metal nitrides are synthesized during a combustion process utilizing a solid source of nitrogen. For this purpose, a metal azide is employed. The azide is combusted with a transition metal of the IIIB, IVB group, or a rare earth metal, and ignited to produce the refractory material.

  19. Electrostatically Tuned Self-Assembly of Branched Amphiphilic Peptides

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ting, Christina L.; Frischknecht, Amalie L.; Stevens, Mark J.; Spoerke, Erik D.

    2014-06-19

    Electrostatics plays an important role in the self-assembly of amphiphilic peptides. To develop a molecular understanding of the role of the electrostatic interactions, we develop a coarse-grained model peptide and apply self-consistent field theory to investigate the peptide assembly into a variety of aggregate nanostructures. We find that the presence and distribution of charged groups on the hydrophilic branches of the peptide can modify the molecular configuration from extended to collapsed. This change in molecular configuration influences the packing into spherical micelles, cylindrical micelles (nanofibers), or planar bilayers. The effects of charge distribution therefore has important implications for the designmore » and utility of functional materials based on peptides.« less

  20. Combinatorial synthesis of novel materials

    DOE Patents [OSTI]

    Schultz, Peter G.; Xiang, Xiaodong; Goldwasser, Isy

    2002-02-12

    Methods and apparatus for the preparation and use of a substrate having an array of diverse materials in predefined regions thereon. A substrate having an array of diverse materials thereon is generally prepared by delivering components of materials to predefined regions on a substrate, and simultaneously reacting the components to form at least two materials. Materials which can be prepared using the methods and apparatus of the present invention include, for example, covalent network solids, ionic solids and molecular solids. More particularly, materials which can be prepared using the methods and apparatus of the present invention include, for example, inorganic materials, intermetallic materials, metal alloys, ceramic materials, organic materials, organometallic materials, non-biological organic polymers, composite materials (e.g., inorganic composites, organic composites, or combinations thereof), etc. Once prepared, these materials can be screened for useful properties including, for example, electrical, thermal, mechanical, morphological, optical, magnetic, chemical, or other properties. Thus, the present invention provides methods for the parallel synthesis and analysis of novel materials having useful properties.

  1. Combinatorial synthesis of novel materials

    DOE Patents [OSTI]

    Schultz, Peter G.; Xiang, Xiaodong; Goldwasser, Isy

    1999-01-01

    Methods and apparatus for the preparation and use of a substrate having an array of diverse materials in predefined regions thereon. A substrate having an array of diverse materials thereon is generally prepared by delivering components of materials to predefined regions on a substrate, and simultaneously reacting the components to form at least two materials. Materials which can be prepared using the methods and apparatus of the present invention include, for example, covalent network solids, ionic solids and molecular solids. More particularly, materials which can be prepared using the methods and apparatus of the present invention include, for example, inorganic materials, intermetallic materials, metal alloys, ceramic materials, organic materials, organometallic materials, non-biological organic polymers, composite materials (e.g., inorganic composites, organic composites, or combinations thereof), etc. Once prepared, these materials can be screened for useful properties including, for example, electrical, thermal, mechanical, morphological, optical, magnetic, chemical, or other properties. Thus, the present invention provides methods for the parallel synthesis and analysis of novel materials having useful properties.

  2. Combinatorial synthesis of novel materials

    DOE Patents [OSTI]

    Schultz, Peter G.; Xiang, Xiaodong; Goldwasser, Isy

    1999-12-21

    Methods and apparatus for the preparation and use of a substrate having an array of diverse materials in predefined regions thereon. A substrate having an array of diverse materials thereon is generally prepared by delivering components of materials to predefined regions on a substrate, and simultaneously reacting the components to form at least two materials. Materials which can be prepared using the methods and apparatus of the present invention include, for example, covalent network solids, ionic solids and molecular solids. More particularly, materials which can be prepared using the methods and apparatus of the present invention include, for example, inorganic materials, intermetallic materials, metal alloys, ceramic materials, organic materials, organometallic materials, non-biological organic polymers, composite materials (e.g., inorganic composites, organic composites, or combinations thereof), etc. Once prepared, these materials can be screened for useful properties including, for example, electrical, thermal, mechanical, morphological, optical, magnetic, chemical, or other properties. Thus, the present invention provides methods for the parallel synthesis and analysis of novel materials having useful properties.

  3. Combinatorial synthesis of novel materials

    DOE Patents [OSTI]

    Schultz, Peter G.; Xiang, Xiaodong; Goldwasser, Isy

    2001-01-01

    Methods and apparatus for the preparation and use of a substrate having an array of diverse materials in predefined regions thereon. A substrate having an array of diverse materials thereon is generally prepared by delivering components of materials to predefined regions on a substrate, and simultaneously reacting the components to form at least two materials. Materials which can be prepared using the methods and apparatus of the present invention include, for example, covalent network solids, ionic solids and molecular solids. More particularly, materials which can be prepared using the methods and apparatus of the present invention include, for example, inorganic materials, intermetallic materials, metal alloys, ceramic materials, organic materials, organometallic materials, non-biological organic polymers, composite materials (e.g., inorganic composites, organic composites, or combinations thereof), etc. Once prepared, these materials can be screened for useful properties including, for example, electrical, thermal, mechanical, morphological, optical, magnetic, chemical, or other properties. Thus, the present invention provides methods for the parallel synthesis and analysis of novel materials having useful properties.

  4. Synthesis of refractory materials

    DOE Patents [OSTI]

    Holt, J.B.

    1983-08-16

    Refractory metal nitrides are synthesized during a self-propagating combustion process utilizing a solid source of nitrogen. For this purpose, a metal azide is employed, preferably NaN/sub 3/. The azide is combusted with Mg or Ca, and a metal oxide is selected from Groups III-A, IV-A, III-B, IV-B, or a rare earth metal oxide. The mixture of azide, Ca or Mg and metal oxide is heated to the mixture's ignition temperature. At that temperature the mixture is ignited and undergoes self-sustaining combustion until the starter materials are exhausted, producing the metal nitride.

  5. Synthesis of refractory materials

    DOE Patents [OSTI]

    Holt, Joseph B.

    1984-01-01

    Refractory metal nitrides are synthesized during a self-propagating combustion process utilizing a solid source of nitrogren. For this purpose, a metal azide is employed, preferably NaN.sub.3. The azide is combusted with Mg or Ca, and a metal oxide is selected from Groups III-A, IV-A, III-B, IV-B, or a rare earth metal oxide. The mixture of azide, Ca or Mg and metal oxide is heated to the mixture's ignition temperature. At that temperature the mixture is ignited and undergoes self-sustaining combustion until the starter materials are exhausted, producing the metal nitride.

  6. Solvent mediated self-assembly of solids

    SciTech Connect (OSTI)

    De Yoreo, J.; Wilson, W.D.; Palmore, T.

    1997-12-12

    Solvent-mediated crystallization represents a robust approach to self-assembly of nanostructures and microstructures. In organic systems, the relative ease with which the structure of hydrogen- bonded molecules can be manipulated allows for generation of a wide variety of nanoscale crystal structures. In living organisms, control over the micron-to-millimeter form of inorganic crystals is achieved through introduction of bio-organic molecules. The purpose of this proposal is to understand the interplay between solution chemistry, molecular structure, surface chemistry, and the processes of nucleation and crystal growth in solvent-mediated systems, with the goal of developing the atomic and molecular basis of a solvent-mediated self-assembly technology. We will achieve this purpose by: (1) utilizing an atomic force microscopy (AFM) approach that provides in situ, real time imaging during growth from solutions, (2) by modifying kinetic Monte Carlo (KMC) models to include solution-surface kinetics, (3) by introducing quantum chemistry (QC) calculations of the potentials of the relevant chemical species and the near-surface structure of the solution, and (4) by utilizing molecular dynamics (MD) simulations to identify the minimum energy pathways to the solid state. Our work will focus on two systems chosen to address both the manometer and micron-to-millimeter length scales of assembly, the family of 2,5- diketopiperazines (X-DKPs) and the system of CaCO{sub 3} with amino acids. Using AFM, we will record the evolution of surface morphology, critical lengths, step speeds, and step-step interactions as a function of supersaturation and temperature. In the case of the X-DKPs, these measurements will be repeated as the molecular structure of the growth unit is varied. In the case of CaCO{sub 3}, they will be performed as a function of solution chemistry including pH, ionic strength, and amino acid content. In addition, we will measure nucleation rates and orientations of

  7. Self-Assembly of Functional Polymers | MIT-Harvard Center for Excitonics

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Assembly of Functional Polymers May 9, 2013 at 3pm/36-428 Bradley Olsen Department of Chemical Engineering, Massachusetts Institute of Technology olsen_001 Abstract: Block copolymer self-assembly represents an elegant, low-cost technique for the fabrication of complex new soft materials. Critical for many of the applications for such materials is incorporating polymers with a given optical, electronic, or biological functionality into the nanostructured material. In contrast to traditional

  8. Self-assembling holographic biosensors and biocomputers.

    SciTech Connect (OSTI)

    Light, Yooli Kim; Bachand, George David (Sandia National Laboratories, Albuquerque, NM); Schoeniger, Joseph S.; Trent, Amanda M. (Sandia National Laboratories, Albuquerque, NM)

    2006-05-01

    We present concepts for self-assembly of diffractive optics with potential uses in biosensors and biocomputers. The simplest such optics, diffraction gratings, can potentially be made from chemically-stabilized microtubules migrating on nanopatterned tracks of the motor protein kinesin. We discuss the fabrication challenges involved in patterning sub-micron-scale structures with proteins that must be maintained in aqueous buffers to preserve their activity. A novel strategy is presented that employs dry contact printing onto glass-supported amino-silane monolayers of heterobifunctional crosslinkers, followed by solid-state reactions of these cross-linkers, to graft patterns of reactive groups onto the surface. Successive solution-phase addition of cysteine-mutant proteins and amine-reactive polyethylene glycol allows assembly of features onto the printed patterns. We present data from initial experiments showing successful micro- and nanopatterning of lines of single-cysteine mutants of kinesin interleaved with lines of polyethylene, indicating that this strategy can be employed to arrays of features with resolutions suitable for gratings.

  9. In situ microscopy of the self-assembly of branched nanocrystals in solution

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sutter, Eli; Tkachenko, Alexei V.; Sutter, Peter; Roman Krahne; Arciniegas, Milena; Manna, Liberato; de Graaf, Joost

    2016-04-04

    Here, solution-phase self-assembly of nanocrystals into mesoscale structures is a promising strategy for constructing functional materials from nanoscale components. Liquid environments are key to self-assembly since they allow suspended nanocrystals to diffuse and interact freely, but they also complicate experiments. Real-time observations with single-particle resolution could have transformative impact on our understanding of nanocrystal self-assembly. Here we use real-time in situ imaging by liquid-cell electron microscopy to elucidate the nucleation and growth mechanism and properties of linear chains of octapod-shaped nanocrystals in their native solution environment. Statistical mechanics modelling based on these observations and using the measured chain-length distribution clarifiesmore » the relative importance of dipolar and entropic forces in the assembly process and gives direct access to the interparticle interaction. Our results suggest that monomer-resolved in situ imaging combined with modelling can provide unprecedented quantitative insight into the microscopic processes and interactions that govern nanocrystal self-assembly in solution.« less

  10. Seeing Gold Nanoparticles Self-Assemble with in situ Liquid Transmissi...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Seeing Gold Nanoparticles Self-Assemble with in situ Liquid Transmission Electron Microscopy December 15, 2014 Tweet EmailPrint Scientific Achievement The self-assembly of gold...

  11. "Plastic" Solar Cells: Self-Assembly of Bulk Heterojunction

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Nano-Materials by Spontaneous Phase Separation | MIT-Harvard Center for Excitonics "Plastic" Solar Cells: Self-Assembly of Bulk Heterojunction Nano-Materials by Spontaneous Phase Separation October 20, 2009 at 3pm/36-428 Alan Heeger Department of Chemistry, University of California, Santa Barbara heeger abstract: Solar cells - Power from the Sun - can provide and must provide - a significant contribution to our future energy needs. The challenge is clear; we must create the

  12. A New Route to Nano Self-Assembly

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A New Route to Nano Self-Assembly Print If the promise of nanotechnology is to be ... available nanoparticles over multiple length scales, ranging from the nano to the macro. ...

  13. Guided Self-Assembly of Gold Thin Films

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Guided Self-Assembly of Gold Thin Films Print Nanoparticles-man-made atoms with unique ... films from highly ordered one--, two- and three-dimensional arrays of gold nanoparticles. ...

  14. Guided Self-Assembly of Gold Thin Films

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Guided Self-Assembly of Gold Thin Films Print Nanoparticles-man-made atoms with unique optical, electrical, and mechanical properties-have become key components in many fields of...

  15. A New Route to Nano Self-Assembly

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    to Nano Self-Assembly Print If the promise of nanotechnology is to be fulfilled, nanoparticles will have to be able to make something of themselves. An important advance toward...

  16. Self Assembly of Boronic Acid-Functionalized Peptides

    Office of Scientific and Technical Information (OSTI)

    500 nm Self Assembly of Boronic Add-Functionalized Peptides Brad H. Jones, Alina M. Martinez, Jill S. Wheeler, Bonnie B. McKenzie, David R. Wheeler, and Erik D. Spoerke October ...

  17. A New Route to Nano Self-Assembly

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A New Route to Nano Self-Assembly Print If the promise of nanotechnology is to be fulfilled, nanoparticles will have to be able to make something of themselves. An important...

  18. Guided Self-Assembly of Gold Thin Films

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Guided Self-Assembly of Gold Thin Films Guided Self-Assembly of Gold Thin Films Print Wednesday, 21 November 2012 12:18 Nanoparticles-man-made atoms with unique optical, electrical, and mechanical properties-have become key components in many fields of science. If nanoparticles could be coaxed into routinely assembling themselves into predictable complex structures and hierarchical patterns, devices could be mass-produced that are one thousand times smaller than today's microtechnologies.

  19. A New Route to Nano Self-Assembly

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A New Route to Nano Self-Assembly Print If the promise of nanotechnology is to be fulfilled, nanoparticles will have to be able to make something of themselves. An important advance toward this goal has been achieved by researchers who have found a simple and yet powerfully robust way to induce nanoparticles to assemble themselves into complex arrays. By adding specific types of small molecules to mixtures of nanoparticles and polymers, they were able to direct the self-assembly of the

  20. A New Route to Nano Self-Assembly

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A New Route to Nano Self-Assembly Print If the promise of nanotechnology is to be fulfilled, nanoparticles will have to be able to make something of themselves. An important advance toward this goal has been achieved by researchers who have found a simple and yet powerfully robust way to induce nanoparticles to assemble themselves into complex arrays. By adding specific types of small molecules to mixtures of nanoparticles and polymers, they were able to direct the self-assembly of the

  1. A New Route to Nano Self-Assembly

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A New Route to Nano Self-Assembly Print If the promise of nanotechnology is to be fulfilled, nanoparticles will have to be able to make something of themselves. An important advance toward this goal has been achieved by researchers who have found a simple and yet powerfully robust way to induce nanoparticles to assemble themselves into complex arrays. By adding specific types of small molecules to mixtures of nanoparticles and polymers, they were able to direct the self-assembly of the

  2. Nanostructured self-assembly materials from neat and aqueous solutions of C18 lipid pro-drug analogues of Capecitabine?a chemotherapy agent. Focus on nanoparticulate cubosomes? of the oleyl analogue

    SciTech Connect (OSTI)

    Gong, Xiaojuan; Moghaddam, Minoo J.; Sagnella, Sharon M.; Conn, Charlotte E.; Mulet, Xavier; Danon, Stephen J.; Waddington, Lynne J.; Drummond, Calum J.

    2014-09-24

    A series of prodrug analogues based on the established chemotherapy agent, 5-fluorouracil, have been prepared and characterized. C18 alkyl and alkenyl chains with increasing degree of unsaturation were attached to the N{sup 4} position of the 5-fluorocytosine (5-FC) base via a carbamate bond. Physicochemical characterization of the prodrug analogues was carried out using a combination of differential scanning calorimetry, cross-polarized optical microscopy, X-ray diffraction and small-angle X-ray scattering. The presence of a monounsaturated oleyl chain was found to promote lyotropic liquid crystalline phase formation in excess water with a fluid lamellar phase observed at room temperature and one or more bicontinuous cubic phases at 37 C. The bulk phase was successfully dispersed into liposomes or cubosomes at room and physiological temperature respectively. In vitro toxicity of the nanoparticulate 5-FCOle dispersions was evaluated against several normal and cancer cell types over a 48 h period and exhibited an IC{sub 50} of 100 {micro}M against all cell types. The in vivo efficacy of 5-FCOle cubosomes was assessed against the highly aggressive mouse 4T1 breast cancer model and compared to Capecitabine (a water-soluble commercially available 5-FU prodrug) delivered at the same dosages. After 21 days of treatment, the 0.5 mmol 5-FCOle treatment group exhibited a significantly smaller average tumour volume than all other treatment groups including Capecitabine at similar dosage. These results exemplify the potential of self-assembled amphiphile prodrugs for delivery of bioactives in vivo.

  3. "Brick-and-Mortar" Self-Assembly Approach to Mesoporous Carbon

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Nanocomposites - Energy Innovation Portal Vehicles and Fuels Vehicles and Fuels Energy Storage Energy Storage Find More Like This Return to Search "Brick-and-Mortar" Self-Assembly Approach to Mesoporous Carbon Nanocomposites Oak Ridge National Laboratory Contact ORNL About This Technology Technology Marketing SummaryMesoporous carbon materials lack sufficient ordering at the atomic scale to exhibit good conductivity properties and thermal stability. To date, mesoporous carbons

  4. Self-Assembled Monolayer And Method Of Making

    DOE Patents [OSTI]

    Fryxell, Glen E.; Zemanian, Thomas S.; Liu, Jun; Shin, Yongsoon

    2004-06-22

    According to the present invention, the previously known functional material having a self-assembled monolayer on a substrate has a plurality of assembly molecules each with an assembly atom with a plurality of bonding sites (four sites when silicon is the assembly molecule) wherein a bonding fraction (or fraction) of fully bonded assembly atoms (the plurality of bonding sites bonded to an oxygen atom) has a maximum when made by liquid solution deposition, for example a maximum of 40% when silicon is the assembly molecule, and maximum surface density of assembly molecules was 5 silanes per square nanometer. Note that bonding fraction and surface population are independent parameters. The method of the present invention is an improvement to the known method for making a siloxane layer on a substrate, wherein instead of a liquid phase solution chemistry, the improvement is a supercritical phase chemistry. The present invention has the advantages of greater fraction of oxygen bonds, greater surface density of assembly molecules and reduced time for reaction of about 5 minutes to about 24 hours.

  5. Self-assembled monolayer and method of making

    DOE Patents [OSTI]

    Fryxell, Glen E [Kennewick, WA; Zemanian, Thomas S [Richland, WA; Liu, Jun [West Richland, WA; Shin, Yongsoon [Richland, WA

    2003-03-11

    According to the present invention, the previously known functional material having a self-assembled monolayer on a substrate has a plurality of assembly molecules each with an assembly atom with a plurality of bonding sites (four sites when silicon is the assembly molecule) wherein a bonding fraction (or fraction) of fully bonded assembly atoms (the plurality of bonding sites bonded to an oxygen atom) has a maximum when made by liquid solution deposition, for example a maximum of 40% when silicon is the assembly molecule, and maximum surface density of assembly molecules was 5 silanes per square nanometer. Note that bonding fraction and surface population are independent parameters. The method of the present invention is an improvement to the known method for making a siloxane layer on a substrate, wherein instead of a liquid phase solution chemistry, the improvement is a supercritical phase chemistry. The present invention has the advantages of greater fraction of oxygen bonds, greater surface density of assembly molecules and reduced time for reaction of about 5 minutes to about 24 hours.

  6. Self-Assembled Monolayer And Method Of Making

    DOE Patents [OSTI]

    Fryxell, Glen E.; Zemanian, Thomas S.; Liu, Jun; Shin, Yongsoon

    2005-01-25

    According to the present invention, the previously known functional material having a self-assembled monolayer on a substrate has a plurality of assembly molecules each with an assembly atom with a plurality of bonding sites (four sites when silicon is the assembly molecule) wherein a bonding fraction (or fraction) of fully bonded assembly atoms (the plurality of bonding sites bonded to an oxygen atom) has a maximum when made by liquid solution deposition, for example a maximum of 40% when silicon is the assembly molecule, and maximum surface density of assembly molecules was 5 silanes per square nanometer. Note that bonding fraction and surface population are independent parameters. The method of the present invention is an improvement to the known method for making a siloxane layer on a substrate, wherein instead of a liquid phase solution chemistry, the improvement is a supercritical phase chemistry. The present invention has the advantages of greater fraction of oxygen bonds, greater surface density of assembly molecules and reduced time for reaction of about 5 minutes to about 24 hours.

  7. Self-assembled monolayer and method of making

    DOE Patents [OSTI]

    Fryxell, Glen E.; Zemanian, Thomas S.; Liu, Jun; Shin, Yongsoon

    2004-05-11

    According to the present invention, the previously known functional material having a self-assembled monolayer on a substrate has a plurality of assembly molecules each with an assembly atom with a plurality of bonding sites (four sites when silicon is the assembly molecule) wherein a bonding fraction (or fraction) of fully bonded assembly atoms (the plurality of bonding sites bonded to an oxygen atom) has a maximum when made by liquid solution deposition, for example a maximum of 40% when silicon is the assembly molecule, and maximum surface density of assembly molecules was 5 silanes per square nanometer. Note that bonding fraction and surface population are independent parameters. The method of the present invention is an improvement to the known method for making a siloxane layer on a substrate, wherein instead of a liquid phase solution chemistry, the improvement is a supercritical phase chemistry. The present invention has the advantages of greater fraction of oxygen bonds, greater surface density of assembly molecules and reduced time for reaction of about 5 minutes to about 24 hours.

  8. Low-power light guiding and localization in optoplasmonic chains obtained by directed self-assembly

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ahn, Wonmi; Zhao, Xin; Hong, Yan; Reinhard, Bjorn M.

    2016-03-02

    Here, optoplasmonic structures contain plasmonic components embedded in a defined photonic environment to create synergistic interactions between photonic and plasmonic components. Here, we show that chains of optical microspheres containing gold nanoparticles in their evanescent field combine the light guiding properties of a microsphere chain with the light localizing properties of a plasmonic nanoantenna. We implement these materials through template guided self-assembly and investigate their fundamental electromagnetic working principles through combination of electromagnetic simulations and experimental characterization. We demonstrate that optoplasmonic chains implemented by directed self-assembly achieve a significant reduction in guiding losses when compared with conventional plasmonic waveguides and,more » at the same time, retain the light localizing properties of plasmonic antennas at pre-defined locations. The results reinforce the potential of optoplasmonic structures for realizing low-loss optical interconnects with high bandwidth.« less

  9. Electrostatic self-assembly of graphene oxide wrapped sulfur particles for lithium–sulfur batteries

    SciTech Connect (OSTI)

    Wu, Haiwei; Huang, Ying Zong, Meng; Ding, Xiao; Ding, Juan; Sun, Xu

    2015-04-15

    Highlights: • Researched graphene oxide wrapped sulfur particles for lithium–sulfur batteries. • New approach for core–shell GO/S composites by electrostatic self-assembly method. • Both core–shell structure and the GO support help to retard the diffusion of polysulfides during the electrochemical cycling process of GO/S cathode. - Abstract: A novel graphene oxide (GO)/sulfur (S) composite is developed by electrostatic self-assembly method. Remarkably, the core–shell structure of the composite and the GO support helps to retard the diffusion of polysulfides during the electrochemical cycling process. The GO/sulfur cathode presents enhanced cycling ability. Specific discharge capacities up to 494.7 mAh g{sup −1} over 200 cycles at 0.1 C is achieved with enhanced columbic efficiency around 95%, representing a good cathode material for lithium–sulfur batteries.

  10. Photo-Definable Self Assembled Maerials

    DOE Patents [OSTI]

    DOSHI, DHAVAL; [et al

    2004-10-26

    The present invention provides a mesoporous material comprising at least one region of mesoporous material patterned at a lithographic scale. The present invention also provides a a method for forming a patterned mesoporous material comprising: coating a sol on a substrate to form a film, the sol comprising: a templating molecule, a photoactivator generator, a material capable of being sol-gel processed, water, and a solvent; and exposing the film to light to form a patterned mesoporous material.

  11. Backfilled, self-assembled monolayers and methods of making same

    DOE Patents [OSTI]

    Fryxell, Glen E.; Zemanian, Thomas S.; Addleman, R. Shane; Aardahl, Christopher L.; Zheng, Feng; Busche, Brad; Egorov, Oleg B.

    2009-06-30

    Backfilled, self-assembled monolayers and methods of making the same are disclosed. The self-assembled monolayer comprises at least one functional organosilane species and a substantially random dispersion of at least one backfilling organosilane species among the functional organosilane species, wherein the functional and backfilling organosilane species have been sequentially deposited on a substrate. The method comprises depositing sequentially a first organosilane species followed by a backfilling organosilane species, and employing a relaxation agent before or during deposition of the backfilling organosilane species, wherein the first and backfilling organosilane species are substantially randomly dispersed on a substrate.

  12. A New Route to Nano Self-Assembly

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A New Route to Nano Self-Assembly A New Route to Nano Self-Assembly Print Wednesday, 24 February 2010 00:00 If the promise of nanotechnology is to be fulfilled, nanoparticles will have to be able to make something of themselves. An important advance toward this goal has been achieved by researchers who have found a simple and yet powerfully robust way to induce nanoparticles to assemble themselves into complex arrays. By adding specific types of small molecules to mixtures of nanoparticles and

  13. Structural simulations of nanomaterials self-assembled from ionic macrocycles.

    SciTech Connect (OSTI)

    van Swol, Frank B.; Medforth, Craig John

    2010-10-01

    Recent research at Sandia has discovered a new class of organic binary ionic solids with tunable optical, electronic, and photochemical properties. These nanomaterials, consisting of a novel class of organic binary ionic solids, are currently being developed at Sandia for applications in batteries, supercapacitors, and solar energy technologies. They are composed of self-assembled oligomeric arrays of very large anions and large cations, but their crucial internal arrangement is thus far unknown. This report describes (a) the development of a relevant model of nonconvex particles decorated with ions interacting through short-ranged Yukawa potentials, and (b) the results of initial Monte Carlo simulations of the self-assembly binary ionic solids.

  14. "Self-assembly of uniform polyhedral silver nanocrystals into densest packings and exotic superlattices"

    SciTech Connect (OSTI)

    Henzie, Joel; Grunwald, Michael; Widmer-Cooper, Asaph; Geissler, Phillip L.; Yang, Peidong

    2011-03-01

    Understanding how polyhedra pack into extended arrangements is integral to the design and discovery of crystalline materials at all length scales. Much progress has been made in enumerating and characterizing the packing of polyhedral shapes, and the self-assembly of polyhedral nanocrystals into ordered superstructures. However, directing the self-assembly of polyhedral nanocrystals into densest packings requires precise control of particle shape, polydispersity,interactions and driving forces. Here we show with experiment and computer simulation that a range of nanoscale Ag polyhedra can self-assemble into their conjectured densest packings. When passivated with adsorbing polymer, the polyhedra behave as quasi-hard particles and assemble into millimetre-sized three-dimensional supercrystals by sedimentation.We also show, by inducing depletion attraction through excess polymer in solution, that octahedra form an exotic superstructure with complex helical motifs rather than the densest Minkowski lattice. Such large-scale Ag supercrystals may facilitate the design of scalable three-dimensional plasmonic metamaterials for sensing, nanophotonics, and photocatalysis.

  15. Synthesis of bulk superhard semiconducting B-C material (Journal...

    Office of Scientific and Technical Information (OSTI)

    Synthesis of bulk superhard semiconducting B-C material Citation Details In-Document Search Title: Synthesis of bulk superhard semiconducting B-C material A bulk composite ...

  16. Evidence for the Bulk Nature of Self-Assembled Monolayer Surface...

    Office of Scientific and Technical Information (OSTI)

    Evidence for the Bulk Nature of Self-Assembled Monolayer Surface of Fluorinated Alkyl ... Citation Details In-Document Search Title: Evidence for the Bulk Nature of Self-Assembled ...

  17. Robust, self-assembled, biocompatible films

    DOE Patents [OSTI]

    Swanson, Basil I; Anderson, Aaron S.; Dattelbaum, Andrew M.; Schmidt, Jurgen G.

    2014-06-24

    The present invention provides a composite material including a substrate having an oxide surface, and, a continuous monolayer on the oxide surface, the monolayer including a silicon atom from a trifunctional alkyl/alkenyl/alkynyl silane group that attaches to the oxide surface, an alkyl/alkenyl/alkynyl portion of at least three carbon atoms, a polyalkylene glycol spacer group, and either a reactive site (e.g., a recognition ligand) or a site resistant to non-specific binding (e.g., a methoxy or the like) at the terminus of each modified SAM. The present invention further provides a sensor element, a sensor array and a method of sensing, each employing the composite material. Patterning is also provided together with backfilling to minimize non-specific binding.

  18. Self-assembly of peptide-amphiphile nanofibers under physiological conditions

    DOE Patents [OSTI]

    Stupp, Samuel I.; Hartgerink, Jeffrey D.; Beniash, Elia

    2010-06-29

    Peptide amphiphile compounds, compositions and methods for self-assembly or nanofibrous network formation under neutral or physiological conditions.

  19. Nanoparticle flow, ordering and self-assembly.

    SciTech Connect (OSTI)

    Schunk, Peter Randall; Brown, William Michael; Plimpton, Steven James; Lechman, Jeremy B.; Grest, Gary Stephen; Petersen, Matthew K.; in't Veld, Pieter J.

    2008-10-01

    Nanoparticles are now more than ever being used to tailor materials function and performance in differentiating technologies because of their profound effect on thermo-physical, mechanical and optical properties. The most feasible way to disperse particles in a bulk material or control their packing at a substrate is through fluidization in a carrier, followed by solidification through solvent evaporation/drying/curing/sintering. Unfortunately processing particles as concentrated, fluidized suspensions into useful products remains an art largely because the effect of particle shape and volume fraction on fluidic properties and suspension stability remains unexplored in a regime where particle-particle interaction mechanics is prevalent. To achieve a stronger scientific understanding of the factors that control nanoparticle dispersion and rheology we have developed a multiscale modeling approach to bridge scales between atomistic and molecular-level forces active in dense nanoparticle suspensions. At the largest length scale, two 'coarse-grained' numerical techniques have been developed and implemented to provide for high-fidelity numerical simulations of the rheological response and dispersion characteristics typical in a processing flow. The first is a coupled Navier-Stokes/discrete element method in which the background solvent is treated by finite element methods. The second is a particle based method known as stochastic rotational dynamics. These two methods provide a new capability representing a 'bridge' between the molecular scale and the engineering scale, allowing the study of fluid-nanoparticle systems over a wide range of length and timescales as well as particle concentrations. To validate these new methodologies, multi-million atoms simulations explicitly including the solvent have been carried out. These simulations have been vital in establishing the necessary 'subgrid' models for accurate prediction at a larger scale and refining the two coarse

  20. Drying/self-assembly of nanoparticle suspensions.

    SciTech Connect (OSTI)

    Cheng, Shengfeng; Plimpton, Steven James; Lechman, Jeremy B.; Grest, Gary Stephen

    2010-10-01

    The most feasible way to disperse particles in a bulk material or control their packing at a substrate is through fluidization in a carrier that can be processed with well-known techniques such as spin, drip and spray coating, fiber drawing, and casting. The next stage in the processing is often solidification involving drying by solvent evaporation. While there has been significant progress in the past few years in developing discrete element numerical methods to model dense nanoparticle dispersion/suspension rheology which properly treat the hydrodynamic interactions of the solvent, these methods cannot at present account for the volume reduction of the suspension due to solvent evaporation. As part of LDRD project FY-101285 we have developed and implemented methods in the current suite of discrete element methods to remove solvent particles and volume, and hence solvent mass from the liquid/vapor interface of a suspension to account for volume reduction (solvent drying) effects. To validate the methods large scale molecular dynamics simulations have been carried out to follow the evaporation process at the microscopic scale.

  1. Stable doping of carbon nanotubes via molecular self assembly

    SciTech Connect (OSTI)

    Lee, B.; Chen, Y.; Podzorov, V.; Cook, A.; Zakhidov, A.

    2014-10-14

    We report a novel method for stable doping of carbon nanotubes (CNT) based on methods of molecular self assembly. A conformal growth of a self-assembled monolayer of fluoroalkyl trichloro-silane (FTS) at CNT surfaces results in a strong increase of the sheet conductivity of CNT electrodes by 60–300%, depending on the CNT chirality and composition. The charge carrier mobility of undoped partially aligned CNT films was independently estimated in a field-effect transistor geometry (~100 cm²V⁻¹s⁻¹). The hole density induced by the FTS monolayer in CNT sheets is estimated to be ~1.8 ×10¹⁴cm⁻². We also show that FTS doping of CNT anodes greatly improves the performance of organic solar cells. This large and stable doping effect, easily achieved in large-area samples, makes this approach very attractive for applications of CNTs in transparent and flexible electronics.

  2. Guided Self-Assembly of Gold Thin Films

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Guided Self-Assembly of Gold Thin Films Print Nanoparticles-man-made atoms with unique optical, electrical, and mechanical properties-have become key components in many fields of science. If nanoparticles could be coaxed into routinely assembling themselves into predictable complex structures and hierarchical patterns, devices could be mass-produced that are one thousand times smaller than today's microtechnologies. Berkeley Lab and UC Berkeley scientists have made progress toward this goal,

  3. Guided Self-Assembly of Gold Thin Films

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Guided Self-Assembly of Gold Thin Films Print Nanoparticles-man-made atoms with unique optical, electrical, and mechanical properties-have become key components in many fields of science. If nanoparticles could be coaxed into routinely assembling themselves into predictable complex structures and hierarchical patterns, devices could be mass-produced that are one thousand times smaller than today's microtechnologies. Berkeley Lab and UC Berkeley scientists have made progress toward this goal,

  4. Guided Self-Assembly of Gold Thin Films

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Guided Self-Assembly of Gold Thin Films Print Nanoparticles-man-made atoms with unique optical, electrical, and mechanical properties-have become key components in many fields of science. If nanoparticles could be coaxed into routinely assembling themselves into predictable complex structures and hierarchical patterns, devices could be mass-produced that are one thousand times smaller than today's microtechnologies. Berkeley Lab and UC Berkeley scientists have made progress toward this goal,

  5. Guided Self-Assembly of Gold Thin Films

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Guided Self-Assembly of Gold Thin Films Print Nanoparticles-man-made atoms with unique optical, electrical, and mechanical properties-have become key components in many fields of science. If nanoparticles could be coaxed into routinely assembling themselves into predictable complex structures and hierarchical patterns, devices could be mass-produced that are one thousand times smaller than today's microtechnologies. Berkeley Lab and UC Berkeley scientists have made progress toward this goal,

  6. Self Assembly for Nanostructured Electronic Devices at the Center for

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Functional Nanomaterials | MIT-Harvard Center for Excitonics Self Assembly for Nanostructured Electronic Devices at the Center for Functional Nanomaterials November 3, 2009 at 3pm/36-428 Charles Black Center for Functional Nanomaterials, Brookhaven National Laboratory Black_Chuck_D0331112 abstract: The Center for Functional Nanomaterials (CFN) at Brookhaven National Laboratory is a science-based user facility devoted to nanotechnology research addressing challenges in energy security. Five

  7. Sequential programmable self-assembly: Role of cooperative interactions

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Jonathan D. Halverson; Tkachenko, Alexei V.

    2016-03-04

    Here, we propose a general strategy of “sequential programmable self-assembly” that enables a bottom-up design of arbitrary multi-particle architectures on nano- and microscales. We show that a naive realization of this scheme, based on the pairwise additive interactions between particles, has fundamental limitations that lead to a relatively high error rate. This can be overcome by using cooperative interparticle binding. The cooperativity is a well known feature of many biochemical processes, responsible, e.g., for signaling and regulations in living systems. Here we propose to utilize a similar strategy for high precision self-assembly, and show that DNA-mediated interactions provide a convenientmore » platform for its implementation. In particular, we outline a specific design of a DNA-based complex which we call “DNA spider,” that acts as a smart interparticle linker and provides a built-in cooperativity of binding. We demonstrate versatility of the sequential self-assembly based on spider-functionalized particles by designing several mesostructures of increasing complexity and simulating their assembly process. This includes a number of finite and repeating structures, in particular, the so-called tetrahelix and its several derivatives. Due to its generality, this approach allows one to design and successfully self-assemble virtually any structure made of a “GEOMAG” magnetic construction toy, out of nanoparticles. According to our results, once the binding cooperativity is strong enough, the sequential self-assembly becomes essentially error-free.« less

  8. Combinatorial synthesis of ceramic materials

    DOE Patents [OSTI]

    Lauf, Robert J.; Walls, Claudia A.; Boatner, Lynn A.

    2006-11-14

    A combinatorial library includes a gelcast substrate defining a plurality of cavities in at least one surface thereof; and a plurality of gelcast test materials in the cavities, at least two of the test materials differing from the substrate in at least one compositional characteristic, the two test materials differing from each other in at least one compositional characteristic.

  9. Combinatorial synthesis of ceramic materials

    DOE Patents [OSTI]

    Lauf, Robert J. [Oak Ridge, TN; Walls, Claudia A. [Oak Ridge, TN; Boatner, Lynn A. [Oak Ridge, TN

    2010-02-23

    A combinatorial library includes a gelcast substrate defining a plurality of cavities in at least one surface thereof; and a plurality of gelcast test materials in the cavities, at least two of the test materials differing from the substrate in at least one compositional characteristic, the two test materials differing from each other in at least one compositional characteristic.

  10. Materials Synthesis and Integrated Devices

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Administration | (NNSA) Materials Science: the science of everything Friday, July 24, 2015 - 10:57am Y-12 Senior Metallurgist Steven Dekanich and NASA Materials Science Branch Chief Steve McDanels teamed up to lead a weeklong materials science camp that took at the University of Tennessee in Knoxville. The camp, which has been held since 2004, was jointly sponsored by Consolidated Nuclear Services (CNS), Oak Ridge National Laboratory, the University of Tennessee and the Knoxville chapter of

  11. Structure of a designed protein cage that self-assembles into a highly porous cube

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lai, Yen-Ting; Reading, Eamonn; Hura, Greg L.; Tsai, Kuang-Lei; Laganowsky, Arthur; Asturias, Francisco J.; Tainer, John A.; Robinson, Carol V.; Yeates, Todd O.

    2014-11-10

    Natural proteins can be versatile building blocks for multimeric, self-assembling structures. Yet, creating protein-based assemblies with specific geometries and chemical properties remains challenging. Highly porous materials represent particularly interesting targets for designed assembly. Here we utilize a strategy of fusing two natural protein oligomers using a continuous alpha-helical linker to design a novel protein that self assembles into a 750 kDa, 225 Å diameter, cube-shaped cage with large openings into a 130 Å diameter inner cavity. A crystal structure of the cage showed atomic level agreement with the designed model, while electron microscopy, native mass spectrometry, and small angle x-raymore » scattering revealed alternate assembly forms in solution. These studies show that accurate design of large porous assemblies with specific shapes is feasible, while further specificity improvements will likely require limiting flexibility to select against alternative forms. Finally, these results provide a foundation for the design of advanced materials with applications in bionanotechnology, nanomedicine and material sciences.« less

  12. Advanced Battery Materials Synthesis and Manufacturing R&D Program...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Advanced Battery Materials Synthesis and Manufacturing R&D Program Argonne's Materials Engineering Research Facility (MERF) supports the laboratory's Advanced Battery Materials...

  13. Combinatorial synthesis of inorganic or composite materials

    DOE Patents [OSTI]

    Goldwasser, Isy; Ross, Debra A.; Schultz, Peter G.; Xiang, Xiao-Dong; Briceno, Gabriel; Sun, Xian-Dong; Wang, Kai-An

    2010-08-03

    Methods and apparatus for the preparation and use of a substrate having an array of diverse materials in predefined regions thereon. A substrate having an array of diverse materials thereon is generally prepared by delivering components of materials to predefined regions on a substrate, and simultaneously reacting the components to form at least two materials or, alternatively, allowing the components to interact to form at least two different materials. Materials which can be prepared using the methods and apparatus of the present invention include, for example, covalent network solids, ionic solids and molecular solids. More particularly, materials which can be prepared using the methods and apparatus of the present invention include, for example, inorganic materials, intermetallic materials, metal alloys, ceramic materials, organic materials, organometallic materials, nonbiological organic polymers, composite materials (e.g., inorganic composites, organic composites, or combinations thereof), etc. Once prepared, these materials can be screened for useful properties including, for example, electrical, thermal, mechanical, morphological, optical, magnetic, chemical, or other properties. Thus, the present invention provides methods for the parallel synthesis and analysis of novel materials having useful properties.

  14. Periodic nanostructures from self assembled wedge-type block-copolymers

    DOE Patents [OSTI]

    Xia, Yan; Sveinbjornsson, Benjamin R.; Grubbs, Robert H.; Weitekamp, Raymond; Miyake, Garret M.; Piunova, Victoria; Daeffler, Christopher Scot

    2015-06-02

    The invention provides a class of wedge-type block copolymers having a plurality of chemically different blocks, at least a portion of which incorporates a wedge group-containing block providing useful properties. For example, use of one or more wedge group-containing blocks in some block copolymers of the invention significantly inhibits chain entanglement and, thus, the present block copolymers materials provide a class of polymer materials capable of efficient molecular self-assembly to generate a range of structures, such as periodic nanostructures and microstructures. Materials of the present invention include copolymers having one or more wedge group-containing blocks, and optionally for some applications copolymers also incorporating one or more polymer side group-containing blocks. The present invention also provides useful methods of making and using wedge-type block copolymers.

  15. Phase Change Nanodots Patterning using a Self-Assembled Polymer Lithography and Crystallization Analysis

    SciTech Connect (OSTI)

    Zhang, Y.; Raoux, S; Krebs, D; Krupp, L; Topuria, T; Caldwell, M; Milliron, D; Kellock, A; Rice, P; et. al.

    2008-01-01

    Crystallization behavior of scalable phase change materials can be studied on nanoscale structures. In this paper, high density ordered phase change nanodot arrays were fabricated using the lift-off technique on a self-assembled diblock copolymer template, polystyrene-poly(methyl-methacrylate). The size of the nanodots was less than 15 nm in diameter with 40 nm spacing. This method is quite flexible regarding the patterned materials and can be used on different substrates. The crystallization behavior of small scale phase change nanodot arrays was studied using time-resolved x-ray diffraction, which showed the phase transition for different materials such as Ge15Sb85, Ge2Sb2Te5, and Ag and In doped Sb2Te. The transition temperatures of these nanodot samples were also compared with their corresponding blanket thin films, and it was found that the nanodots had higher crystallization temperatures and crystallized over a broader temperature range.

  16. Quantum & Energy Materials Capabilities | Argonne National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Quantum & Energy Materials Capabilities Synthesis Colloidal chemistry and self-assembly techniques Complex oxide film synthesis via molecular beam epitaxy (DCA R450 Custom) Glovebox system for organic photovoltaics device fabrication Physical vapor deposition (Lesker CMS 18 and PVD 250) Spin coating (Laurell WS-400) Characterization Variable-temperature (VT) scanning tunneling microscope with atomic force microscopy capabilities (Omicron VT-AFM/STM), operates in an ultrahigh vacuum (UHV)

  17. Functionalized Graphene Sheets as Molecular Templates for Controlled Nucleation and Self-Assembly of Metal Oxide-Graphene Nanocomposites

    SciTech Connect (OSTI)

    Li, Xiaolin; Qi, Wen N.; Mei, Donghai; Sushko, Maria L.; Aksay, Ilhan A.; Liu, Jun

    2012-09-25

    Graphene sheets have been extensively studied as a key functional component of graphene-based nanocomposites for electronics, energy, catalysis,and sensing applications. However, fundamental understanding of the interfacial binding and nucleation processes at graphene surfaces remains lacking, and the range of controlled structures that can be produced are limited. Here, by using a combination of theoretical and experimental approaches, we demonstrate that functionalized graphene sheets (FGS) can function as a new class of molecular templates to direct nucleation and self-assembly and produce novel, three-dimensional nanocomposite materials. Two key aspects are demonstrated: First, the functional groups on FGS surface determine the nucleation energy, and thus control the nucleation sites and nucleation density, as well as the preferred crystalline phases. Second, FGS can function as a template to direct the self-assembly of surfactant micelles and produce ordered, mesoporous arrays of crystalline metal oxides and composites.

  18. Cytoskeleton mimetic reinforcement of a self-assembled N,N'-dialkylimidazolium ionic liquid monomer by copolymerization.

    SciTech Connect (OSTI)

    Grubjesic, S.; Seifert, S.; Firestone, M. A.; Materials Science Division

    2009-08-11

    Preparation and photopolymerization of a decylmethylimidazolium ionic liquid (IL) that possesses an acrylate counteranion are described. This IL monomer self-assembles upon addition of water and can be copolymerized with poly(ethylene glycol) diacrylate (PEGDA) in the presence of a photoinitiator, forming a mechanically durable material that adopts a lamellar structure with in-plane hexagonally ordered pores, as evidenced by small-angle X-ray scattering (SAXS). Thermogravimetric analysis, the extent of polymerization, and solubility-swelling studies indicate the formation of a network copolymer of the IL monomer and the PEGDA. Additional evidence for the formation of a nanostructured copolymer is provided by evaluating the product formed by replacement of the IL monomer with the nonpolymerizable analogue, decylmethylimidazolium chloride. The results demonstrate the possibility of designing a self-assembled amiphiphilic bilayer architecture that is reinforced by polymerization and cross-linking.

  19. Self-assembled Ni/TiO{sub 2} nanocomposite anodes synthesized...

    Office of Scientific and Technical Information (OSTI)

    Ni(core)TiOsub 2(shell) nanocomposite anodes were fabricated on three-dimensional, self-assembled nanotemplates of Tobacco mosaic virus using atomic layer deposition, exhibiting ...

  20. Self-assembly of mixtures of nanorods in binary, phase-separating...

    Office of Scientific and Technical Information (OSTI)

    Title: Self-assembly of mixtures of nanorods in binary, phase-separating blends Aligned nanorod inclusions have the potential to significantly improve both the photovoltaic and ...

  1. Energy level alignment of self-assembled linear chains of benzenediami...

    Office of Scientific and Technical Information (OSTI)

    Energy level alignment of self-assembled linear chains of benzenediamine on Au(111) from ... This content will become publicly available on March 24, 2017 Title: Energy level ...

  2. Oligo(p-phenylene vinylene) amphiphiles and methods for self-assembly

    DOE Patents [OSTI]

    Stupp, Samuel I.; Hulvat, James F.; Sofos, Marina; Tajima, Keisuke

    2008-05-13

    Amphiphilic oligo(p-phenylene vinylene) compounds and methods of use en route to self-assembled composites and device fabrication.

  3. GeSi strained nanostructure self-assembly for nano- and opto...

    Office of Scientific and Technical Information (OSTI)

    to produce quantum nanostructures for nanologic and optoelectronics applications. Our current research direction aims to move beyond self-assembly of the basic quantum dot towards ...

  4. Controlling the photoconductivity: Graphene oxide and polyaniline self assembled intercalation

    SciTech Connect (OSTI)

    Vempati, Sesha; Ozcan, Sefika; Uyar, Tamer

    2015-02-02

    We report on controlling the optoelectronic properties of self-assembled intercalating compound of graphene oxide (GO) and HCl doped polyaniline (PANI). Optical emission and X-ray diffraction studies revealed a secondary doping phenomenon of PANI with OH and COOH groups of GO, which essentially arbitrate the intercalation. A control on the polarity and the magnitude of the photoresponse (PR) is harnessed by manipulating the weight ratios of PANI to GO (viz., 1:1.5 and 1:2.2 are abbreviated as PG1.5 and PG2.2, respectively), where PR?=?100(R{sub Dark} R{sub UV-Vis})/R{sub Dark} and R corresponds to the resistance of the device in dark or UV-Vis illumination. To be precise, the PR from GO, PANI, PG1.5, and PG2.2 are +34%, ?111%, ?51%, and +58%, respectively.

  5. Adsorption of Amelogenin onto Self-Assembled and Fluoroapatite Surfaces

    SciTech Connect (OSTI)

    Tarasevich, Barbara J.; Lea, Alan S.; Bernt, William; Engelhard, Mark H.; Shaw, Wendy J.

    2009-02-19

    Abstract. The interactions of proteins at surfaces are of great importance to biomineralizaton processes and to the development and function of biomaterials. Amelogenin is a unique biomineralization protein because it self-assembles to form supramolecular structures called “nanospheres,” spherical aggregates of monomers that are 20-60 nm in diameter. Although the nanosphere quaternary structure has been observed in solution, the quaternary structure of amelogenin adsorbed onto surfaces is also of great interest because the surface structure is critical to its function. We report studies of the adsorption of the amelogenin onto self-assembled monolayers (SAMs) with COOH and CH3 end group functionality and single crystal fluoroapatite (FAP). Dynamic light scattering (DLS) experiments showed that the solutions contained nanospheres and aggregates of nanospheres. Protein adsorption onto the various substrates was evidenced by null ellipsometry, x-ray photoelectron spectroscopy (XPS), and external reflectance Fourier transform infrared spectroscopy (ERFTIR). Although only nanospheres were observed in solution, ellipsometry and atomic force microscopy (AFM) indicated that the protein adsorbates were much smaller structures than the original nanospheres, from monomers to small oligomers in size. Monomer adsorption was promoted onto the CH3 surfaces and small oligomer adsorption was promoted onto the COOH and FAP substrates. In some cases, remnants of the original nanospheres adsorbed as multilayers on top of the underlying subnanosphere layers. This work suggests that amelogenin can adsorb by the “shedding” or disassembling of substructures from the nanospheres onto substrates and indicates that amelogenin may have a range of possible quaternary structures depending on whether it is in solution or interacting with surfaces.

  6. Self-Assembly, Molecular Ordering, and Charge Mobility in Solution-Processed Ultrathin Oligothiophene Films

    SciTech Connect (OSTI)

    Murphy,A.; Chang, P.; VanDyke, P.; Liu, J.; Frechet, J.; Subramanian, V.; Delongchamp, D.; Sambasivan, S.; Fischer, D.; Lin, E.

    2005-01-01

    Symmetrical {alpha}, {omega}-substituted quarter-(T4), penta-(T5), sexi-(T6), and heptathiophene (T7) oligomers containing thermally removable aliphatic ester solubilizing groups were synthesized, and their UV-vis and thermal characteristics were compared. Spun-cast thin films of each oligomer were examined with atomic force microscopy and near-edge X-ray absorption fine structure spectroscopy to evaluate the ability of the material to self-assemble from a solution-based process while maintaining complete surface coverage. Films of the T5-T7 oligomers self-assemble into crystalline terraces after thermal annealing with higher temperatures required to affect this transformation as the size of the oligomers increases. A symmetrical {alpha}, {omega}-substituted sexithiophene (T6-acid) that reveals carboxylic acids after thermolysis was also prepared to evaluate the effect of the presence of hydrogen-bonding moieties. The charge transport properties for these materials evaluated in top-contact thin film transistor devices were found to correlate with the observed morphology of the films. Therefore, the T4 and the T6-acid performed poorly because of incomplete surface coverage after thermolysis, while T5-T7 exhibited much higher performance as a result of molecular ordering. Increases in charge mobility correlated to increasing conjugation length with measured mobilities ranging from 0.02 to 0.06 cm2/(V{center_dot}s). The highest mobilities were measured when films of each oligomer had an average thickness between one and two monolayers, indicating that the molecules become exceptionally well-ordered during the thermolysis process. This unprecedented ordering of the solution-cast molecules results in efficient charge mobility rarely seen in such ultrathin films.

  7. Anandamide and analogous endocannabinoids: a lipid self-assembly study

    SciTech Connect (OSTI)

    Sagnella, Sharon M.; Conn, Charlotte E.; Krodkiewska, Irena; Mulet, Xavier; Drummond, Calum J.

    2014-09-24

    Anandamide, the endogenous agonist of the cannabinoid receptors, has been widely studied for its interesting biological and medicinal properties and is recognized as a highly significant lipid signaling molecule within the nervous system. Few studies have, however, examined the effect of the physical conformation of anandamide on its function. The study presented herein has focused on characterizing the self-assembly behaviour of anandamide and four other endocannabinoid analogues of anandamide, viz., 2-arachidonyl glycerol, arachidonyl dopamine, 2-arachidonyl glycerol ether (noladin ether), and o-arachidonyl ethanolamide (virodhamine). Molecular modeling of the five endocannabinoid lipids indicates that the highly unsaturated arachidonyl chain has a preference for a U or J shaped conformation. Thermal phase studies of the neat amphiphiles showed that a glass transition was observed for all of the endocannabinoids at {approx} -110 C with the exception of anandamide, with a second glass transition occurring for 2-arachidonyl glycerol, 2-arachidonyl glycerol ether, and virodhamine (-86 C, -95 C, -46 C respectively). Both anandamide and arachidonyl dopamine displayed a crystal-isotropic melting point (-4.8 and -20.4 C respectively), while a liquid crystal-isotropic melting transition was seen for 2-arachidonyl glycerol (-40.7 C) and 2-arachidonyl glycerol ether (-71.2 C). No additional transitions were observed for virodhamine. Small angle X-ray scattering and cross polarized optical microscopy studies as a function of temperature indicated that in the presence of excess water, both 2-arachidonyl glycerol and anandamide form co-existing Q{sub II}{sup G} (gyroid) and Q{sub II}{sup D} (diamond) bicontinuous cubic phases from 0 C to 20 C, which are kinetically stable over a period of weeks but may not represent true thermodynamic equilibrium. Similarly, 2-arachidonyl glycerol ether acquired an inverse hexagonal (HII) phase in excess water from 0 C to 40 C, while

  8. Toward a Materials Genome Approach for Ionic Liquids: Synthesis...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Toward a Materials Genome Approach for Ionic Liquids: Synthesis Guided by Ab Initio Property Maps Previous Next List Fangyong Yan, Michael Lartey, Kuldeep Jariwala, Sage Bowser,...

  9. Switchable friction enabled by nanoscale self-assembly on graphene

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Gallagher, Patrick; Lee, Menyoung; Amet, Francois; Maksymovych, Petro; Wang, Jun; Wang, Shuopei; Lu, Xiaobo; Zhang, Guangyu; Watanabe, Kenji; Taniguchi, Takashi; et al

    2016-02-23

    Graphene monolayers are known to display domains of anisotropic friction with twofold symmetry and anisotropy exceeding 200%. This anisotropy has been thought to originate from periodic nanoscale ripples in the graphene sheet, which enhance puckering around a sliding asperity to a degree determined by the sliding direction. Here we demonstrate that these frictional domains derive not from structural features in the graphene but from self-assembly of environmental adsorbates into a highly regular superlattice of stripes with period 4–6 nm. The stripes and resulting frictional domains appear on monolayer and multilayer graphene on a variety of substrates, as well as onmore » exfoliated flakes of hexagonal boron nitride. We show that the stripe-superlattices can be reproducibly and reversibly manipulated with submicrometre precision using a scanning probe microscope, allowing us to create arbitrary arrangements of frictional domains within a single flake. In conclusion, our results suggest a revised understanding of the anisotropic friction observed on graphene and bulk graphite in terms of adsorbates.« less

  10. Molecular self-assembly strategy for generating catalytic hybrid polypeptides

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Maeda, Yoshiaki; Fang, Justin; Ikezoe, Yasuhiro; Pike, Douglas H.; Nanda, Vikas; Matsui, Hiroshi

    2016-04-26

    Recently, catalytic peptides were introduced that mimicked protease activities and showed promising selectivity of products even in organic solvents where protease cannot perform well. However, their catalytic efficiency was extremely low compared to natural enzyme counterparts presumably due to the lack of stable tertiary fold. We hypothesized that assembling these peptides along with simple hydrophobic pockets, mimicking enzyme active sites, could enhance the catalytic activity. Here we fused the sequence of catalytic peptide CP4, capable of protease and esterase-like activities, into a short amyloidogenic peptide fragment of Aβ. When the fused CP4-Aβ construct assembled into antiparallel β- sheets and amyloidmore » fibrils, a 4.0-fold increase in the hydrolysis rate of p-nitrophenyl acetate (p-NPA) compared to neat CP4 peptide was observed. Furthermore, the enhanced catalytic activity of CP4-Aβ assembly could be explained both by pre-organization of a catalytically competent Ser-His-acid triad and hydrophobic stabilization of a bound substrate between the triad and p-NPA, indicating that a design strategy for self-assembled peptides is important to accomplish the desired functionality.« less

  11. Stoichiometric control of DNA-grafted colloid self-assembly

    SciTech Connect (OSTI)

    Vo, Thi; Venkatasubramanian, Venkat; Kumar, Sanat; Srinivasan, Babji; Pal, Suchetan; Zhang, Yugang; Gang, Oleg

    2015-04-06

    In this study, there has been considerable interest in understanding the self-assembly of DNA-grafted nanoparticles into different crystal structures, e.g., CsCl, AlB?, and Cr?Si. Although there are important exceptions, a generally accepted view is that the right stoichiometry of the two building block colloids needs to be mixed to form the desired crystal structure. To incisively probe this issue, we combine experiments and theory on a series of DNA-grafted nanoparticles at varying stoichiometries, including noninteger values. We show that stoichiometry can couple with the geometries of the building blocks to tune the resulting equilibrium crystal morphology. As a concrete example, a stoichiometric ratio of 3:1 typically results in the Cr?Si structure. However, AlB? can form when appropriate building blocks are used so that the AlB? standard-state free energy is low enough to overcome the entropic preference for Cr?Si. These situations can also lead to an undesirable phase coexistence between crystal polymorphs. Thus, whereas stoichiometry can be a powerful handle for direct control of lattice formation, care must be taken in its design and selection to avoid polymorph coexistence.

  12. Stoichiometric control of DNA-grafted colloid self-assembly

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Vo, Thi; Venkatasubramanian, Venkat; Kumar, Sanat; Srinivasan, Babji; Pal, Suchetan; Zhang, Yugang; Gang, Oleg

    2015-04-06

    In this study, there has been considerable interest in understanding the self-assembly of DNA-grafted nanoparticles into different crystal structures, e.g., CsCl, AlB₂, and Cr₃Si. Although there are important exceptions, a generally accepted view is that the right stoichiometry of the two building block colloids needs to be mixed to form the desired crystal structure. To incisively probe this issue, we combine experiments and theory on a series of DNA-grafted nanoparticles at varying stoichiometries, including noninteger values. We show that stoichiometry can couple with the geometries of the building blocks to tune the resulting equilibrium crystal morphology. As a concrete example,more » a stoichiometric ratio of 3:1 typically results in the Cr₃Si structure. However, AlB₂ can form when appropriate building blocks are used so that the AlB₂ standard-state free energy is low enough to overcome the entropic preference for Cr₃Si. These situations can also lead to an undesirable phase coexistence between crystal polymorphs. Thus, whereas stoichiometry can be a powerful handle for direct control of lattice formation, care must be taken in its design and selection to avoid polymorph coexistence.« less

  13. CMI Unique Facility: Bulk Combinatoric Materials Synthesis Facility |

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Critical Materials Institute Bulk Combinatoric Materials Synthesis Facility The Bulk Combinatoric Materials Synthesis Facility is one of more than a dozen unique facilities developed by the Critical Materials Institute, an Energy Innovation Hub of the U.S. Department of Energy. Combinatoric studies of materials involve the creation of samples with varying composition, allowing the researcher to find the optimum combination of elements to produce a desired set of properties. The method has

  14. Synthesis of functional materials in combustion reactions

    SciTech Connect (OSTI)

    Zhuravlev, V. D. Bamburov, V. G.; Ermakova, L. V.; Lobachevskaya, N. I.

    2015-12-15

    The conditions for obtaining oxide compounds in combustion reactions of nitrates of metals with organic chelating–reducing agents such as amino acids, urea, and polyvinyl alcohol are reviewed. Changing the nature of internal fuels and the reducing agent-to-oxidizing agent ratio makes possible to modify the thermal regime of the process, fractal dimensionality, morphology, and dispersion of synthesized functional materials. This method can be used to synthesize simple and complex oxides, composites, and metal powders, as well as ceramics and coatings. The possibilities of synthesis in combustion reactions are illustrated by examples of αand γ-Al{sub 2}O{sub 3}, YSZ composites, uranium oxides, nickel powder, NiO and NiO: YSZ composite, TiO{sub 2}, and manganites, cobaltites, and aluminates of rare earth elements.

  15. Manufacturing Demonstration Facility: Low Temperature Materials Synthesis

    SciTech Connect (OSTI)

    Graham, David E.; Moon, Ji-Won; Armstrong, Beth L.; Datskos, Panos G.; Duty, Chad E.; Gresback, Ryan; Ivanov, Ilia N.; Jacobs, Christopher B.; Jellison, Gerald Earle; Jang, Gyoung Gug; Joshi, Pooran C.; Jung, Hyunsung; Meyer, III, Harry M.; Phelps, Tommy

    2015-06-30

    The Manufacturing Demonstration Facility (MDF) low temperature materials synthesis project was established to demonstrate a scalable and sustainable process to produce nanoparticles (NPs) for advanced manufacturing. Previous methods to chemically synthesize NPs typically required expensive, high-purity inorganic chemical reagents, organic solvents and high temperatures. These processes were typically applied at small laboratory scales at yields sufficient for NP characterization, but insufficient to support roll-to-roll processing efforts or device fabrication. The new NanoFermentation processes described here operated at a low temperature (~60 C) in low-cost, aqueous media using bacteria that produce extracellular NPs with controlled size and elemental stoichiometry. Up-scaling activities successfully demonstrated high NP yields and quality in a 900-L pilot-scale reactor, establishing this NanoFermentation process as a competitive biomanufacturing strategy to produce NPs for advanced manufacturing of power electronics, solid-state lighting and sensors.

  16. Self-assembly molecular squares with metal complexes as bridging ligands

    SciTech Connect (OSTI)

    Sun, S.S.; Silva, A.S.; Brinn, I.M.; Lees, A.J.

    2000-04-03

    Polynuclear transition metal complexes containing multichromophoric units, such as metal polypyridyl complexes, are of considerable current interest. Much attention has been paid to the synthesis of multicomponent systems that exhibit photoinduced intercomponent electron and/or energy-transfer processes and to their potential applications for photonic and electronic devices. Systems incorporating Re(I)- Ru(II)-, and Os(II)-based polypyridyl chromophores are the most commonly studied because of their favorable redox and spectroscopic characteristics. In this communication, the authors combine the concepts of self-assembly and complexes as ligands and report the preparation of a series of molecular squares with the general molecular formula [fac-Br(CO){sub 3}Re({mu}-(pyterpy){sub 2}M)]{sub 4}(PF{sub 6}){sub 8}, where pyterpy is 4{prime}-(4{prime}{double_prime}-pyridyl)-2,2{prime}:6{prime}2{double_prime}-terpyridine and M = Fe, Ru, or Os. The spectroscopic properties and a preliminary anion binding study of these novel octanuclear molecular squares are also presented.

  17. Self-Assembly by Instruction: Designing Nanoscale Systems Using DNA-Based Approaches (474th Brookhaven Lecture)

    SciTech Connect (OSTI)

    Gang, Oleg

    2012-01-18

    In the field of nanoscience, if you can control how nanoparticles self-assemble in particular structures — joining each other, for example, as molecules can form, atom-by-atom — you can design new materials that have unique properties that industry needs. Nature already uses the DNA genetic code to instruct the building of specific proteins and whole organisms in both plants and people. Taking a cue from nature, scientists at BNL devised a way of using strands of synthetic DNA attached to the surface of nanoparticles to instruct them to self-assemble into specific nanoscale structures, clusters, and three-dimensional organizations. Novel materials designed and fabricated this way promise use in photovoltaics, energy storage, catalysis, cell-targeted systems for more effective medical treatments, and biomolecular sensing for environmental monitoring and medical applications. To find out more about the rapid evolution of this nanoassembly method and its applications, join Physicist Oleg Gang of the Center for Functional Nanomaterials (CFN) as he gives the 474th Brookhaven Lecture, titled “Self-Assembly by Instruction: Designing Nanoscale Systems Using DNA-Based Approaches." Gang, who has led this work at the CFN, will explain the rapid evolution of this nanoassembly method, and discuss its present and future applications in highly specific biosensors, optically active nano-materials, and new ways to fabricate complex architectures in a rational manner via self-assembly. Gang and his colleagues used the CFN and the National Synchrotron Light Source (NSLS) facilities to perform their groundbreaking research. At the CFN, the scientists used electron microscopes and optical methods to visualize the clusters that they fabricated. At the NSLS, they applied x-rays to study a particles-assembly process in solution, DNA’s natural environment. Gang earned a Ph.D. in soft matter physics from Bar-Ilan University in 2000, and he was a Rothschild Fellow at Harvard

  18. Lubrication of polysilicon micromechanisms with self-assembled monolayers

    SciTech Connect (OSTI)

    Srinivasan, U.; Foster, J.D.; Habib, U.; Howe, R.T.; Maboudian, R.; Senft, D.C.; Dugger, M.T.

    1998-06-01

    Here, the authors report on the lubricating effects of self-assembled monolayers (SAMs) on MEMS by measuring static and dynamic friction with two polysilicon surface- micromachined devices. The first test structure is used to study friction between laterally sliding surfaces and with the second, friction between vertical sidewalls can be investigated. Both devices are SAM-coated following the sacrificial oxide etch and the microstructures emerge released and dry from the final water rinse. The coefficient of static friction, {mu}{sub s} was found to decrease from 2.1 {+-} 0.8 for the SiO{sub 2} coating to 0.11 {+-} 0.01 and 0.10 {+-} 0.01 for films derived from octadecyltrichloro-silane (OTS) and 1H,1H,2H,2H-perfluorodecyl-trichlorosilane (FDTS). Both OTS and FDTS SAM-coated structures exhibit dynamic coefficients of friction, {mu}{sub d} of 0.08 {+-} 0.01. These values were found to be independent of the apparent contact area, and remain unchanged after 1 million impacts at 5.6 {micro}N (17 kPa), indicating that these SAMs continue to act as boundary lubricants despite repeated impacts. Measurements during sliding friction from the sidewall friction testing structure give comparable initial {mu}{sub d} values of 0.02 at a contact pressure of 84 MPa. After 15 million wear cycles, {mu}{sub d} was found to rise to 0.27. Wear of the contacting surfaces was examined by SEM. Standard deviations in the {mu} data for SAM treatments indicate uniform coating coverage.

  19. DNA origami: A quantum leap for self assembly of complex structures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    DNA origami: A quantum leap for self assembly of complex structures Authors: Trring, T., Voigt, N.V., Nangreave, J., Yan, H., and Gothelf, K.V. Title: DNA origami: A quantum leap...

  20. Molecular behavior of DNA origami in higher order self-assembly

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Molecular behavior of DNA origami in higher order self-assembly Authors: Li, Z., Liu, M., Wang, L., Nangreave, J., Yan, H., and Liu, Y. Title: Molecular behavior of DNA origami in...

  1. Fragmentation dynamics of CS22+ on collision with a self assembled...

    Office of Scientific and Technical Information (OSTI)

    Surface-induced dissociation of doubly charged CS22+ ions in collision with a self assembled monolayer surface of fluorinated alkyl thiol on gold 111 crystal has been studied on a ...

  2. Self-Assembled, Nanostructured Carbon for Energy Storage and...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    January 2011 Development of High Capacity Anode for Li-ion Batteries Synthesis and Characterization of Structured Si-Carbon Nanocomposite Anodes and Functional Polymer Binders

  3. The mechanisms for nanoparticle surface diffusion and chain self-assembly determined from real-time nanoscale kinetics in liquid

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Woehl, Taylor J.; Prozorov, Tanya

    2015-08-20

    The mechanisms for nanoparticle self-assembly are often inferred from the morphology of the final nanostructures in terms of attractive and repulsive interparticle interactions. Understanding how nanoparticle building blocks are pieced together during self-assembly is a key missing component needed to unlock new strategies and mechanistic understanding of this process. Here we use real-time nanoscale kinetics derived from liquid cell transmission electron microscopy investigation of nanoparticle self-assembly to show that nanoparticle mobility dictates the pathway for self-assembly and final nanostructure morphology. We describe a new method for modulating nanoparticle diffusion in a liquid cell, which we employ to systematically investigate themore » effect of mobility on self-assembly of nanoparticles. We interpret the observed diffusion in terms of electrostatically induced surface diffusion resulting from nanoparticle hopping on the liquid cell window surface. Slow-moving nanoparticles self-assemble predominantly into linear 1D chains by sequential attachment of nanoparticles to existing chains, while highly mobile nanoparticles self-assemble into chains and branched structures by chain–chain attachments. Self-assembly kinetics are consistent with a diffusion-driven mechanism; we attribute the change in self-assembly pathway to the increased self-assembly rate of highly mobile nanoparticles. Furthermore, these results indicate that nanoparticle mobility can dictate the self-assembly mechanism and final nanostructure morphology in a manner similar to interparticle interactions.« less

  4. The mechanisms for nanoparticle surface diffusion and chain self-assembly determined from real-time nanoscale kinetics in liquid

    SciTech Connect (OSTI)

    Woehl, Taylor J.; Prozorov, Tanya

    2015-08-20

    The mechanisms for nanoparticle self-assembly are often inferred from the morphology of the final nanostructures in terms of attractive and repulsive interparticle interactions. Understanding how nanoparticle building blocks are pieced together during self-assembly is a key missing component needed to unlock new strategies and mechanistic understanding of this process. Here we use real-time nanoscale kinetics derived from liquid cell transmission electron microscopy investigation of nanoparticle self-assembly to show that nanoparticle mobility dictates the pathway for self-assembly and final nanostructure morphology. We describe a new method for modulating nanoparticle diffusion in a liquid cell, which we employ to systematically investigate the effect of mobility on self-assembly of nanoparticles. We interpret the observed diffusion in terms of electrostatically induced surface diffusion resulting from nanoparticle hopping on the liquid cell window surface. Slow-moving nanoparticles self-assemble predominantly into linear 1D chains by sequential attachment of nanoparticles to existing chains, while highly mobile nanoparticles self-assemble into chains and branched structures by chain–chain attachments. Self-assembly kinetics are consistent with a diffusion-driven mechanism; we attribute the change in self-assembly pathway to the increased self-assembly rate of highly mobile nanoparticles. Furthermore, these results indicate that nanoparticle mobility can dictate the self-assembly mechanism and final nanostructure morphology in a manner similar to interparticle interactions.

  5. 2012 BIOINSPIRED MATERIALS GORDON RESEARCH CONFERENCE, JUNE 24-29, 2012

    SciTech Connect (OSTI)

    Chilkoti, Ashutosh

    2013-06-29

    The emerging, interdisciplinary field of Bioinspired Materials focuses on developing a fundamental understanding of the synthesis, directed self-assembly and hierarchical organization of natural occurring materials, and uses this understanding to engineer new bioinspired artificial materials for diverse applications. The inaugural 2012 Gordon Conference on Bioinspired Materials seeks to capture the excitement of this burgeoning field by a cutting-edge scientific program and roster of distinguished invited speakers and discussion leaders who will address the key issues in the field. The Conference will feature a wide range of topics, such as materials and devices from DNA, reprogramming the genetic code for design of new materials, peptide, protein and carbohydrate based materials, biomimetic systems, complexity in self-assembly, and biomedical applications of bioinspired materials.

  6. Effect of Chain Chirality on the Self-Assembly of Sickle Hemoglobin |

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Argonne Leadership Computing Facility Effect of Chain Chirality on the Self-Assembly of Sickle Hemoglobin Authors: Li, X., Caswell, B., Karniadakis, G.E. We present simulation results on the self-assembly behavior of sickle hemoglobin (HbS). A coarse-grained HbS model, which contains hydrophilic and hydrophobic particles explicitly, is constructed to match the structural properties and physical description of HbS. The hydrophobic interactions are shown to be necessary with chirality being

  7. Theoretical Study of the Initial Stages of Self-Assembly of a Carboxysome’s Facet

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Mahalik, J. P.; Brown, Kirsten A.; Cheng, Xiaolin; Fuentes-Cabrera, Miguel

    2016-02-24

    Bacterial microcompartments, BMCs, are organelles that exist within wide variety of bacteria and act as nanofactories. Among the different types of known BMCs, the carboxysome has been studied the most. The carboxysome plays an important role in the light-independent part of the photosynthesis process, where its icosahedral-like proteinaceous shell acts as a membrane that controls the transport of metabolites. Although a structural model exists for the carboxysome shell, it remains largely unknown how the shell proteins self-assemble. Understanding the self-assembly process can provide insights into how the shell affects the carboxysome s function and how it can be modified tomore » create new functionalities, such as artificial nanoreactors and artificial protein membranes. Here, we explain a theoretical framework that employs Monte Carlo simulations with a coarse-grain potential that reproduces well the atomistic potential of mean force; employing this framework, we are able to capture the initial stages of the 2D self-assembly of CcmK2 hexamers, a major protein-shell component of the carboxysome's facet. The simulations reveal that CcmK2 hexamers self-assemble into clusters that resemble what was seen experimentally in 2D layers. Further analysis of the simulation results suggests that the 2D self-assembly of carboxysome s facets is driven by a nucleation growth process, which in turn could play an important role in the hierarchical self- assembly of BMC shells in general.« less

  8. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    behavior, charge transport, spin dynamics, materials and chemistry by design, optics, synthesis (novel materials), synthesis (self-assembly), synthesis (scalable ...

  9. Directed nanoscale self-assembly of molecular wires interconnecting nodal points using Monte Carlo simulations

    SciTech Connect (OSTI)

    Boscoboinik, A. M.; Manzi, S. J.; Tysoe, W. T.; Pereyra, V. D.; Boscoboinik, J. A.

    2015-09-10

    The influence of directing agents in the self-assembly of molecular wires to produce two-dimensional electronic nanoarchitectures is studied here using a Monte Carlo approach to simulate the effect of arbitrarily locating nodal points on a surface, from which the growth of self-assembled molecular wires can be nucleated. This is compared to experimental results reported for the self-assembly of molecular wires when 1,4-phenylenediisocyanide (PDI) is adsorbed on Au(111). The latter results in the formation of (Au-PDI)n organometallic chains, which were shown to be conductive when linked between gold nanoparticles on an insulating substrate. The present study analyzes, by means of stochastic methods, the influence of variables that affect the growth and design of self-assembled conductive nanoarchitectures, such as the distance between nodes, coverage of the monomeric units that leads to the formation of the desired architectures, and the interaction between the monomeric units. As a result, this study proposes an approach and sets the stage for the production of complex 2D nanoarchitectures using a bottom-up strategy but including the use of current state-of-the-art top-down technology as an integral part of the self-assembly strategy.

  10. Directed nanoscale self-assembly of molecular wires interconnecting nodal points using Monte Carlo simulations

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Boscoboinik, A. M.; Manzi, S. J.; Tysoe, W. T.; Pereyra, V. D.; Boscoboinik, J. A.

    2015-09-10

    The influence of directing agents in the self-assembly of molecular wires to produce two-dimensional electronic nanoarchitectures is studied here using a Monte Carlo approach to simulate the effect of arbitrarily locating nodal points on a surface, from which the growth of self-assembled molecular wires can be nucleated. This is compared to experimental results reported for the self-assembly of molecular wires when 1,4-phenylenediisocyanide (PDI) is adsorbed on Au(111). The latter results in the formation of (Au-PDI)n organometallic chains, which were shown to be conductive when linked between gold nanoparticles on an insulating substrate. The present study analyzes, by means of stochasticmore » methods, the influence of variables that affect the growth and design of self-assembled conductive nanoarchitectures, such as the distance between nodes, coverage of the monomeric units that leads to the formation of the desired architectures, and the interaction between the monomeric units. As a result, this study proposes an approach and sets the stage for the production of complex 2D nanoarchitectures using a bottom-up strategy but including the use of current state-of-the-art top-down technology as an integral part of the self-assembly strategy.« less

  11. Argonne scientists design self-assembled "micro-robots" | Argonne...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    materials. These structures can assemble, disassemble, and reassemble autonomously or on command and will enable novel materials capable of multi-tasking and self-repair. "For us,...

  12. New self-assembly luminescent molecular triangle and square rhenium(I) complexes

    SciTech Connect (OSTI)

    Sun, S.S.; Lees, A.J.

    1999-09-20

    The design and study of well-arranged metal-containing macrocycles is one of the major current research areas in modern supramolecular chemistry. Apart from their particular structural features, supramolecular species formed by self-assembly of transition metals introduce many special functional properties such as luminescence, redox activity, and magnetism into the structure. More recently, transition metal based molecular squares have been synthesized by utilizing self-assembly of preorganized metal centers and pyridine-based bridging ligands. The 90{degree} bonding angles between ligands in transition metal complexes provide an attractive feature for constructing macrocyclic structures.

  13. Self-Assembled Colloidal Plasmonic Systems | MIT-Harvard Center for

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Excitonics Assembled Colloidal Plasmonic Systems February 8, 2011 at 3pm/36-428 Jonathan Fan Harvard University FanJ_000 abstract: The self-assembly of colloids is an alternative to top-down processing that enables the fabrication of nanostructures. I will show that self-assembled clusters of metal-dielectric spheres are the basis for nanophotonic structures. By tailoring the number and position of spheres in close-packed clusters, plasmon modes exhibiting strong magnetic and Fano-like

  14. Thermoelectric materials and methods for synthesis thereof

    DOE Patents [OSTI]

    Ren, Zhifeng; Zhang, Qinyong; Zhang, Qian; Chen, Gang

    2015-08-04

    Materials having improved thermoelectric properties are disclosed. In some embodiments, lead telluride/selenide based materials with improved figure of merit and mechanical properties are disclosed. In some embodiments, the lead telluride/selenide based materials of the present disclosure are p-type thermoelectric materials formed by adding sodium (Na), silicon (Si) or both to thallium doped lead telluride materials. In some embodiments, the lead telluride/selenide based materials are formed by doping lead telluride/selenides with potassium.

  15. Highly Flexible Self-Assembled V2O5 Cathodes Enabled by Conducting Diblock Copolymers

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    An, Hyosung; Mike, Jared; Smith, Kendall A.; Swank, Lisa; Lin, Yen-Hao; L. Pesek, Stacy; Verduzco, Rafael; Lutkenhaus, Jodie L.

    2015-09-22

    Mechanically robust battery electrodes are desired for applications in wearable devices, flexible displays, and structural energy and power. In this regard, the challenge is to balance mechanical and electrochemical properties in materials that are inherently brittle. Here, we demonstrate a unique water-based self-assembly approach that incorporates a diblock copolymer bearing electron- and ion-conducting blocks, poly(3-hexylthiophene)-block-poly(ethyleneoxide) (P3HT-b-PEO), with V2O5 to form a flexible, tough, carbon-free hybrid battery cathode. V2O5 is a promising lithium intercalation material, but it remains limited by its poor conductivity and mechanical properties. Our approach leads to a unique electrode structure consisting of interlocking V2O5 layers glued togethermore » with micellar aggregates of P3HT-b-PEO, which results in robust mechanical properties, far exceeding the those obtained from conventional fluoropolymer binders. Only 5 wt % polymer is required to triple the flexibility of V2O5, and electrodes comprised of 10 wt % polymer have unusually high toughness (293 kJ/m3) and specific energy (530 Wh/kg), both higher than reduced graphene oxide paper electrodes. Furthermore, addition of P3HT-b-PEO enhances lithium-ion diffusion, eliminates cracking during cycling, and boosts cyclability relative to V2O5 alone. These results highlight the importance of tradeoffs between mechanical and electrochemical performance, where polymer content can be used to tune both aspects.« less

  16. Guided Self-Assembly of Gold Thin Films

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... It does not require chemical modification to any of the components in the composite system ... of many materials besides gold, making it well suited for scalable manufacturing. ...

  17. Self-Assembled, Nanostructured Carbon for Energy Storage and...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    In the area of energy storage, the development of carbon nano- materials for improved ultracapacitors will enhance the com- mercial viability of renewable energy technologies such ...

  18. Guided Self-Assembly of Gold Thin Films

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    of this new family of materials, but also the fabrication of a wide range of next-generation nanodevices including optical lenses and polarizers, memory storage,...

  19. Self-assembly of water-soluble nanocrystals

    DOE Patents [OSTI]

    Fan, Hongyou; Brinker, C. Jeffrey; Lopez, Gabriel P.

    2012-01-10

    A method for forming an ordered array of nanocrystals where a hydrophobic precursor solution with a hydrophobic core material in an organic solvent is added to a solution of a surfactant in water, followed by removal of a least a portion of the organic solvent to form a micellar solution of nanocrystals. A precursor co-assembling material, generally water-soluble, that can co-assemble with individual micelles formed in the micellar solution of nanocrystals can be added to this micellar solution under specified reaction conditions (for example, pH conditions) to form an ordered-array mesophase material. For example, basic conditions are used to precipitate an ordered nanocrystal/silica array material in bulk form and acidic conditions are used to form an ordered nanocrystal/silica array material as a thin film.

  20. Self-Assembled Biomimetic Nanostructured Anti-Reflection Coatings for Highly Efficient Crystalline Silicon Solar Cells

    SciTech Connect (OSTI)

    2009-04-01

    This factsheet describes a study that will further develop the structure-property relationship understanding and performance testing of biomimetic nanostructured ARCs produced by a robust templating nanofabrication platform that combines the simplicity and cost benefits of bottom-up self-assembly with the scalability and compatibility of top-down microfabrication.

  1. Materials synthesis at the CNM | Argonne National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Materials synthesis at the CNM Titiania Nanoparticles 1 of 5 Titiania Nanoparticles Molecular model of titania nanoparticles covalently bound to biological molecules at Argonne's Center for Nanoscale Materials. Image: Photo courtesy of Argonne National Laboratory Titiania Nanoparticles 1 of 5 Titiania Nanoparticles Molecular model of titania nanoparticles covalently bound to biological molecules at Argonne's Center for Nanoscale Materials. Image: Photo courtesy of Argonne National Laboratory SEM

  2. Self-Assembly of Nanorods in Ternary Mixtures: Promoting the...

    Office of Scientific and Technical Information (OSTI)

    Research Org: Energy Frontier Research Centers (EFRC); Polymer-Based Materials for Harvesting Solar Energy (PHaSE) Sponsoring Org: USDOE SC Office of Basic Energy Sciences (SC-22) ...

  3. Self-Assembled, Nanostructured Carbon for Energy Storage and Water

    Broader source: Energy.gov (indexed) [DOE]

    | Department of Energy Investigation of a series of transition metal oxides and precious metal based catalysts for ammonia selective oxidation at low temperatures deer12_thrun.pdf (1.16 MB) More Documents & Publications Deactivation Mechanisms of Base Metal/Zeolite Urea Selective Catalytic Reduction Materials, and Development of Zeolite-Based Hydrocarbon Adsorber Materials Vehicle Technologies Office Merit Review 2014: Catalyst Characterization (Agreement ID:9130) Project ID:18519

  4. NREL: Energy Storage - Battery Materials Synthesis

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    The greater energy and power requirements and system integration demands of EDVs pose significant challenges to energy storage technologies. Making these materials durable enough ...

  5. New self-assembled nanocrystal micelles for biolabels and biosensors.

    SciTech Connect (OSTI)

    Tallant, David Robert; Wilson, Michael C. (University of New Mexico, Albuquerque, NM); Leve, Erik W. (University of New Mexico, Albuquerque, NM); Fan, Hongyou; Brinker, C. Jeffrey; Gabaldon, John (University of New Mexico, Albuquerque, NM); Scullin, Chessa (University of New Mexico, Albuquerque, NM)

    2005-12-01

    The ability of semiconductor nanocrystals (NCs) to display multiple (size-specific) colors simultaneously during a single, long term excitation holds great promise for their use in fluorescent bio-imaging. The main challenges of using nanocrystals as biolabels are achieving biocompatibility, low non-specific adsorption, and no aggregation. In addition, functional groups that can be used to further couple and conjugate with biospecies (proteins, DNAs, antibodies, etc.) are required. In this project, we invented a new route to the synthesis of water-soluble and biocompatible NCs. Our approach is to encapsulate as-synthesized, monosized, hydrophobic NCs within the hydrophobic cores of micelles composed of a mixture of surfactants and phospholipids containing head groups functionalized with polyethylene glycol (-PEG), -COOH, and NH{sub 2} groups. PEG provided biocompatibility and the other groups were used for further biofunctionalization. The resulting water-soluble metal and semiconductor NC-micelles preserve the optical properties of the original hydrophobic NCs. Semiconductor NCs emit the same color; they exhibit equal photoluminescence (PL) intensity under long-time laser irradiation (one week) ; and they exhibit the same PL lifetime (30-ns). The results from transmission electron microscopy and confocal fluorescent imaging indicate that water-soluble semiconductor NC-micelles are biocompatible and exhibit no aggregation in cells. We have extended the surfactant/lipid encapsulation techniques to synthesize water-soluble magnetic NC-micelles. Transmission electron microscopy results suggest that water-soluble magnetic NC-micelles exhibit no aggregation. The resulting NC-micelles preserve the magnetic properties of the original hydrophobic magnetic NCs. Viability studies conducted using yeast cells suggest that the magnetic nanocrystal-micelles are biocompatible. We have demonstrated, for the first time, that using external oscillating magnetic fields to manipulate

  6. Synthesis and design of silicide intermetallic materials

    SciTech Connect (OSTI)

    Petrovic, J.J.; Castro, R.G.; Butt, D.P.; Park, Y.; Hollis, K.J.; Kung, H.H.

    1998-11-01

    The overall objective of this program is to develop structural silicide-based materials with optimum combinations of elevated temperature strength/creep resistance, low temperature fracture toughness, and high temperature oxidation and corrosion resistance for applications of importance to the U.S. processing industry. A further objective is to develop silicide-based prototype industrial components. The ultimate aim of the program is to work with industry to transfer the structural silicide materials technology to the private sector in order to promote international competitiveness in the area of advanced high temperature materials and important applications in major energy-intensive U.S. processing industries.

  7. Self-assembled molecular films incorporating a ligand

    DOE Patents [OSTI]

    Bednarski, Mark D.; Wilson, Troy E.; Mastandra, Mark S.

    1996-01-01

    Functionalized monomers are presented which can be used in the fabrication of molecular films for controlling adhesion, detection of receptor-ligand binding and enzymatic reactions; new coatings for lithography; and for semiconductor materials. The monomers are a combination of a ligand, a linker, optionally including a polymerizable group, and a surface attachment group. The processes and an apparatus for making films from these monomers, as well as methods of using the films are also provided.

  8. Self-assembled molecular films incorporating a ligand

    DOE Patents [OSTI]

    Bednarski, M.D.; Wilson, T.E.; Mastandra, M.S.

    1996-04-23

    Functionalized monomers are presented which can be used in the fabrication of molecular films for controlling adhesion, detection of receptor-ligand binding and enzymatic reactions; new coatings for lithography; and for semiconductor materials. The monomers are a combination of a ligand, a linker, optionally including a polymerizable group, and a surface attachment group. The processes and an apparatus for making films from these monomers, as well as methods of using the films are also provided. 7 figs.

  9. Secondary battery material and synthesis method

    DOE Patents [OSTI]

    Liu, Hongjian; Kepler, Keith Douglas; Wang, Yu

    2013-10-22

    A composite Li.sub.1+xMn.sub.2-x-yM.sub.yO.sub.4 cathode material stabilized by treatment with a second transition metal oxide phase that is highly suitable for use in high power and energy density Li-ion cells and batteries. A method for treating a Li.sub.1+xMn.sub.2-x-yM.sub.yO.sub.4 cathode material utilizing a dry mixing and firing process.

  10. Synthesis of thin films and materials utilizing a gaseous catalyst

    DOE Patents [OSTI]

    Morse, Daniel E; Schwenzer, Birgit; Gomm, John R; Roth, Kristian M; Heiken, Brandon; Brutchey, Richard

    2013-10-29

    A method for the fabrication of nanostructured semiconducting, photoconductive, photovoltaic, optoelectronic and electrical battery thin films and materials at low temperature, with no molecular template and no organic contaminants. High-quality metal oxide semiconductor, photovoltaic and optoelectronic materials can be fabricated with nanometer-scale dimensions and high dopant densities through the use of low-temperature biologically inspired synthesis routes, without the use of any biological or biochemical templates.

  11. Nanostructured columnar heterostructures of TiO{sub 2} and Cu{sub 2}O enabled by a thin-film self-assembly approach: Potential for photovoltaics

    SciTech Connect (OSTI)

    Polat, zgr; Department of Physics and Astronomy, The University of Tennessee, Knoxville, TN 37996 ; Aytug, Tolga; Lupini, Andrew R.; Paranthaman, Parans M.; Ertugrul, Mehmet; Bogorin, Daniela F.; Meyer, Harry M.; Wang, Wei; Pennycook, Stephen J.; Christen, David K.

    2013-02-15

    Graphical abstract: Display Omitted Highlights: ? Material self-assembly in phase-separated oxides is exploited. ? Three-dimensionally nanostructured epitaxial films are grown using sputtering. ? Films are composed of well-ordered oriented nanopillars of n-type TiO{sub 2} and p-type Cu{sub 2}O. ? Observed interfaces at adjacent TiO{sub 2}Cu{sub 2}O columns are nearly atomically distinct. ? Absorption profile of the composite film captures a wide range of the solar spectrum. -- Abstract: Significant efforts are being devoted to the development of multifunctional thin-film heterostructures and nanostructured material architectures for components with novel applications of superconductivity, multiferroicity, solar photocatalysis and energy conversion. In particular, nanostructured assemblies with well-defined geometrical shapes have emerged as possible high efficiency and economically viable alternatives to planar photovoltaic thin-film architectures. By exploiting phase-separated self-assembly, here we present advances in a vertically oriented two-component system that offers potential for future development of nanostructured thin film solar cells. Through a single-step deposition by magnetron sputtering, we demonstrate growth of an epitaxial, composite film matrix formed as self-assembled, well ordered, phase segregated, and oriented nanopillars of n-type TiO{sub 2} and p-type Cu{sub 2}O. The composite films were structurally characterized to atomic resolution by a variety of analytical tools, and evaluated for preliminary optical properties using absorption measurements. We find nearly atomically distinct TiO{sub 2}Cu{sub 2}O interfaces (i.e., needed for possible active pn junctions), and an absorption profile that captures a wide range of the solar spectrum extending from ultraviolet to visible wavelengths. This high-quality materials system could lead to photovoltaic devices that can be optimized for both incident light absorption and carrier collection.

  12. Synthesis of Two-Dimensional Materials by Selective Extraction

    SciTech Connect (OSTI)

    Naguib, Michael; Gogotsi, Yury

    2014-12-09

    Two-dimensional (2D) materials have attracted much attention in the past decade. They offer high specific surface area, as well as electronic structure and properties that differ from their bulk counterparts due to the low dimensionality. Graphene is the best known and the most studied 2D material, but metal oxides and hydroxides (including clays), dichalcogenides, boron nitride (BN), and other materials that are one or several atoms thick are receiving increasing attention. They may deliver a combination of properties that cannot be provided by other materials. The most common synthesis approach in general is by reacting different elements or compounds to form a new compound. However, this approach does not necessarily work well for low-dimensional structures, since it favors formation of energetically preferred 3D (bulk) solids. Many 2D materials are produced by exfoliation of van der Waals solids, such as graphite or MoS2, breaking large particles into 2D layers. However, these approaches are not universal; for example, 2D transition metal carbides cannot be produced by any of them. An alternative but less studied way of material synthesis is the selective extraction process, which is based on the difference in reactivity and stability between the different components (elements or structural units) of the original material. It can be achieved using thermal, chemical, or electrochemical processes. Many 2D materials have been synthesized using selective extraction, such as graphene from SiC, transition metal oxides (TMO) from layered 3D salts, and transition metal carbides or carbonitrides (MXenes) from MAX phases. Selective extraction synthesis is critically important when the bonds between the building blocks of the material are too strong (e.g., in carbides) to be broken mechanically in order to form nanostructures. Unlike extractive metallurgy, where the extracted metal is the goal of the process, selective extraction of one or more elements from the precursor

  13. Synthesis of Two-Dimensional Materials by Selective Extraction

    SciTech Connect (OSTI)

    Abdelmalak, Michael Naguib; Gogotsi, Yury

    2015-01-01

    Two-dimensional (2D) materials have attracted much attention in the past decade. They offer high specific surface area, as well as electronic structure and properties that differ from their bulk counterparts due to the low dimensionality. Graphene is the best known and the most studied 2D material, but metal oxides and hydroxides (including clays), dichalcogenides, boron nitride (BN), and other materials that are one or several atoms thick are receiving increasing attention. They may deliver a combination of properties that cannot be provided by other materials. The most common synthesis approach in general is by reacting different elements or compounds to form a new compound. However, this approach does not necessarily work well for low-dimensional structures, since it favors formation of energetically preferred 3D (bulk) solids. Many 2D materials are produced by exfoliation of van der Waals solids, such as graphite or MoS2, breaking large particles into 2D layers. However, these approaches are not universal; for example, 2D transition metal carbides cannot be produced by any of them. An alternative but less studied way of material synthesis is the selective extraction process, which is based on the difference in reactivity and stability between the different components (elements or structural units) of the original material. It can be achieved using thermal, chemical, or electrochemical processes. Many 2D materials have been synthesized using selective extraction, such as graphene from SiC, transition metal oxides (TMO) from layered 3D salts, and transition metal carbides or carbonitrides (MXenes) from MAX phases. Selective extraction synthesis is critically important when the bonds between the building blocks of the material are too strong (e.g., in carbides) to be broken mechanically in order to form nanostructures. Unlike extractive metallurgy, where the extracted metal is the goal of the process, selective extraction of one or more elements from the precursor

  14. Synthesis of Two-Dimensional Materials by Selective Extraction

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Naguib, Michael; Gogotsi, Yury

    2014-12-09

    Two-dimensional (2D) materials have attracted much attention in the past decade. They offer high specific surface area, as well as electronic structure and properties that differ from their bulk counterparts due to the low dimensionality. Graphene is the best known and the most studied 2D material, but metal oxides and hydroxides (including clays), dichalcogenides, boron nitride (BN), and other materials that are one or several atoms thick are receiving increasing attention. They may deliver a combination of properties that cannot be provided by other materials. The most common synthesis approach in general is by reacting different elements or compounds tomore » form a new compound. However, this approach does not necessarily work well for low-dimensional structures, since it favors formation of energetically preferred 3D (bulk) solids. Many 2D materials are produced by exfoliation of van der Waals solids, such as graphite or MoS2, breaking large particles into 2D layers. However, these approaches are not universal; for example, 2D transition metal carbides cannot be produced by any of them. An alternative but less studied way of material synthesis is the selective extraction process, which is based on the difference in reactivity and stability between the different components (elements or structural units) of the original material. It can be achieved using thermal, chemical, or electrochemical processes. Many 2D materials have been synthesized using selective extraction, such as graphene from SiC, transition metal oxides (TMO) from layered 3D salts, and transition metal carbides or carbonitrides (MXenes) from MAX phases. Selective extraction synthesis is critically important when the bonds between the building blocks of the material are too strong (e.g., in carbides) to be broken mechanically in order to form nanostructures. Unlike extractive metallurgy, where the extracted metal is the goal of the process, selective extraction of one or more elements from the

  15. One-step fabrication of free-standing flexible membranes reinforced with self-assembled arrays of carbon nanotubes

    SciTech Connect (OSTI)

    Grilli, S.; Coppola, S.; Vespini, V.; Pagliarulo, V.; Ferraro, P.; Nasti, G.; Carfagna, C.

    2014-10-13

    Here, we report on a single step approach for fabricating free-standing polymer membranes reinforced with arrayed self-assembled carbon nanotubes (CNTs). The CNTs are self-assembled spontaneously by electrode-free DC dielectrophoresis based on surface charge templates. The electrical charge template is generated through the pyroelectric effect onto periodically poled lithium niobate ferroelectric crystals. A thermal stimulus enables simultaneously the self-assembly of the CNTs and the cross-linking of the host polymer. Examples of thin polydimethylsiloxane membranes reinforced with CNT patterns are shown.

  16. Method of synthesis of proton conducting materials

    DOE Patents [OSTI]

    Garzon, Fernando Henry; Einsla, Melinda Lou; Mukundan, Rangachary

    2010-06-15

    A method of producing a proton conducting material, comprising adding a pyrophosphate salt to a solvent to produce a dissolved pyrophosphate salt; adding an inorganic acid salt to a solvent to produce a dissolved inorganic acid salt; adding the dissolved inorganic acid salt to the dissolved pyrophosphate salt to produce a mixture; substantially evaporating the solvent from the mixture to produce a precipitate; and calcining the precipitate at a temperature of from about 400.degree. C. to about 1200.degree. C.

  17. Structural and optical properties of self-assembled chains of plasmonic nanocubes

    SciTech Connect (OSTI)

    Klinkova, Anna; Gang, Oleg; Therien-Aubin, Heloise; Ahmed, Aftab; Nykypanchuk, Dmytro; Choueiri, Rachelle M.; Gagnon, Brandon; Muntyanu, Anastasiya; Walker, Gilbert C.; Kumacheva, Eugenia

    2014-10-10

    Solution-based linear self-assembly of metal nanoparticles offers a powerful strategy for creating plasmonic polymers, which, so far, have been formed from spherical nanoparticles and nanorods. Here, we report linear solution-based self-assembly of metal nanocubes (NCs), examine the structural characteristics of the NC chains and demonstrate their advanced optical characteristics. Predominant face-to-face assembly of large NCs coated with short polymer ligands led to a larger volume of hot spots in the chains, a nearly uniform E-field enhancement in the gaps between co-linear NCs and a new coupling mode for NC chains, in comparison with chains of nanospheres with similar dimensions, composition and surface chemistry. The NC chains exhibited a stronger surface enhanced Raman scattering (SERS) signal, in comparison with linear assemblies of nanospheres. The experimental results were in agreement with finite difference time domain (FDTD) simulations.

  18. Structural and optical properties of self-assembled chains of plasmonic nanocubes

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Klinkova, Anna; Gang, Oleg; Therien-Aubin, Heloise; Ahmed, Aftab; Nykypanchuk, Dmytro; Choueiri, Rachelle M.; Gagnon, Brandon; Muntyanu, Anastasiya; Walker, Gilbert C.; Kumacheva, Eugenia

    2014-10-10

    Solution-based linear self-assembly of metal nanoparticles offers a powerful strategy for creating plasmonic polymers, which, so far, have been formed from spherical nanoparticles and nanorods. Here, we report linear solution-based self-assembly of metal nanocubes (NCs), examine the structural characteristics of the NC chains and demonstrate their advanced optical characteristics. Predominant face-to-face assembly of large NCs coated with short polymer ligands led to a larger volume of hot spots in the chains, a nearly uniform E-field enhancement in the gaps between co-linear NCs and a new coupling mode for NC chains, in comparison with chains of nanospheres with similar dimensions, compositionmore » and surface chemistry. The NC chains exhibited a stronger surface enhanced Raman scattering (SERS) signal, in comparison with linear assemblies of nanospheres. The experimental results were in agreement with finite difference time domain (FDTD) simulations.« less

  19. Intersubband absorption in CdSe/Zn{sub x}Cd{sub y}Mg{sub 1-x-y}Se self-assembled quantum dot multilayers

    SciTech Connect (OSTI)

    Shen, A.; Lu, H.; Charles, W.; Yokomizo, I.; Tamargo, M. C.; Franz, K. J.; Gmachl, C.; Zhang, S. K.; Zhou, X.; Alfano, R. R.; Liu, H. C.

    2007-02-12

    The authors report the observation of intersubband absorption in multilayers of CdSe/Zn{sub x}Cd{sub y}Mg{sub 1-x-y}Se self-assembled quantum dots. The samples were grown by molecular beam epitaxy on InP substrates. For samples with the CdSe dot layers doped with Cl and with the deposited CdSe equivalent layer thickness between 5.2 and 6.9 ML, peak absorption between 2.5 and 3.5 {mu}m was observed. These materials are promising for intersubband devices operating in the mid- and near-infrared ranges.

  20. Polymer arrays from the combinatorial synthesis of novel materials

    DOE Patents [OSTI]

    Schultz, Peter G.; Xiang, Xiao-Dong; Goldwasser, Isy; Briceno, Gabriel; Sun, Xiao-Dong

    2004-09-21

    Methods and apparatus for the preparation and use of a substrate having an array of diverse materials in predefined regions thereon. A substrate having an array of diverse materials thereon is generally prepared by delivering components of materials to predefined regions on a substrate, and simultaneously reacting the components to form at least two materials. Materials which can be prepared using the methods and apparatus of the present invention include, for example, covalent network solids, ionic solids and molecular solids. More particularly, materials which can be prepared using the methods and apparatus of the present invention include, for example, inorganic materials, intermetallic materials, metal alloys, ceramic materials, organic materials, organometallic materials, non-biological organic polymers, composite materials (e.g., inorganic composites, organic composites, or combinations thereof), etc. Once prepared, these materials can be screened for useful properties including, for example, electrical, thermal, mechanical, morphological, optical, magnetic, chemical, or other properties. Thus, the present invention provides methods for the parallel synthesis and analysis of novel materials having useful properties.

  1. A multi-stimuli responive, self-assembling, boronic acid dipeptide

    SciTech Connect (OSTI)

    Jones, Brad Howard; Martinez, Alina Marissa; Wheeler, Jill S.; McKenzie, Bonnie B.; Miller, Lance Lee; Wheeler, David R.; Spoerke, Erik David

    2015-08-11

    Modification of the dipeptide of phenylalanine, FF, with a boronic acid (BA) functionality imparts unique aqueous self-assembly behavior that responds to multiple stimuli. Changes in pH and ionic strength are used to trigger hydrogelation via the formation of nanoribbon networks. Thus, we show for the first time that the binding of polyols to the BA functionality can modulate a peptide between its assembled and disassembled states.

  2. Lower pressure synthesis of diamond material

    DOE Patents [OSTI]

    Lueking, Angela; Gutierrez, Humberto; Narayanan, Deepa; Burgess Clifford, Caroline E.; Jain, Puja

    2010-07-13

    Methods of synthesizing a diamond material, particularly nanocrystalline diamond, diamond-like carbon and bucky diamond are provided. In particular embodiments, a composition including a carbon source, such as coal, is subjected to addition of energy, such as high energy reactive milling, producing a milling product enriched in hydrogenated tetrahedral amorphous diamond-like carbon compared to the coal. A milling product is treated with heat, acid and/or base to produce nanocrystalline diamond and/or crystalline diamond-like carbon. Energy is added to produced crystalline diamond-like carbon in particular embodiments to produce bucky diamonds.

  3. Simulation and dynamics of entropy-driven, molecular self-assembly processes

    SciTech Connect (OSTI)

    Mayer, B.; Kohler, G.,; Rasmussen, S.,

    1997-04-01

    Molecular self-assembly is frequently found to generate higher-order functional structures in biochemical systems. One such example is the self-assembly of lipids in aqueous solution forming membranes, micelles, and vesicles; another is the dynamic formation and rearrangement of the cytoskeleton. These processes are often driven by local, short-range forces and therefore the dynamics is solely based on local interactions. In this paper, we introduce a cellular automata based simulation, the lattice molecular automaton, in which data structures, representing different molecular entities such as water and hydrophilic and hydrophobic monomers, share locally propagated force information on a hexagonal, two-dimensional lattice. The purpose of this level of description is the simulation of entropic and enthalpic flows in a microcanonical, molecular ensemble to gain insight about entropy-driven processes in molecular many-particle systems. Three applications are shown, i.e., modeling structural features of a polar solvent, cluster formation of hydrophobic monomers in a polar environment, and the self-assembly of polymers. Processes leading to phase separation on a molecular level are discussed. A thorough discussion of the computational details, advantages, and limitations of the lattice molecular automaton approach is given elsewhere [B. Mayer and S. Rasmussen (unpublished)]. {copyright} {ital 1997} {ital The American Physical Society}

  4. Small Angle Neutron Scattering (SANS) Studies on the Structural Evolution of Pyromellitamide Self-assembled Gels

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Scott, Jamieson; Tong, Katie; William, Hamilton; He, Lilin; James, Michael; Thordarson, Pall; Boukhalfa, Sofiane

    2014-10-31

    The kinetics of aggregation of two pyromellitamide gelators; tetrabutyl- (C4) and tetrahexylpyromellitamide (C6), in deuterated cyclohexane has been investigated by small angle neutron scattering (SANS) for up to six days. The purpose of this study was to improve our understanding of how self-assembled gels are formed. Short-term (< 3 hour) time scales revealed multiple phases with the data for the tetrabutylpyromellitamide C4 indicating one dimensional stacking and aggregation corresponding to a multi-fiber braided cluster arrangement that is about 35 Å in diameter. The corresponding tetrahexylpyromellitamide C6 data suggests that the C6 also forms one-dimensional stacks but that these aggregate tomore » a thicker multi-fiber braided cluster that have a diameter of 61.8 Å. Over a longer period of time, the radius, persistence length and contour length all continue to increase in 6 days after cooling. This data suggests that structural changes in self-assembled gels occur over a period exceeding several days and that fairly subtle changes in the structure (e.g. tail-length) can influence the packing of molecules in self-assembled gels on the single-to-few fiber bundle stage.« less

  5. Organic molecules deposited on graphene: A computational investigation of self-assembly and electronic structure

    SciTech Connect (OSTI)

    Oliveira, I. S. S. de; Miwa, R. H.

    2015-01-28

    We use ab initio simulations to investigate the adsorption and the self-assembly processes of tetracyanoquinodimethane (TCNQ), tetrafluoro-tetracyanoquinodimethane (F4-TCNQ), and tetrasodium 1,3,6,8-pyrenetetrasulfonic acid (TPA) on the graphene surface. We find that there are no chemical bonds at the moleculegraphene interface, even at the presence of grain boundaries on the graphene surface. The molecules bond to graphene through van der Waals interactions. In addition to the moleculegraphene interaction, we performed a detailed study of the role played by the (lateral) moleculemolecule interaction in the formation of the, experimentally verified, self-assembled layers of TCNQ and TPA on graphene. Regarding the electronic properties, we calculate the electronic charge transfer from the graphene sheet to the TCNQ and F4-TCNQ molecules, leading to a p-doping of graphene. Meanwhile, such charge transfer is reduced by an order of magnitude for TPA molecules on graphene. In this case, it is not expected a significant doping process upon the formation of self-assembled layer of TPA molecules on the graphene sheet.

  6. SYNTHESIS AND CHARACTERIZATION OF ADVANCED MAGNETIC MATERIALS

    SciTech Connect (OSTI)

    Monica Sorescu

    2004-09-22

    The work described in this grant report was focused mainly on the properties of novel magnetic intermetallics. In the first project, we synthesized several 2:17 intermetallic compounds, namely Nd{sub 2}Fe{sub 15}Si{sub 2}, Nd{sub 2}Fe{sub 15}Al{sub 2}, Nd{sub 2}Fe{sub 15}SiAl and Nd{sub 2}Fe{sub 15}SiMn, as well as several 1:12 intermetallic compounds, such as NdFe{sub 10}Si{sub 2}, NdFe{sub 10}Al{sub 2}, NdFe{sub 10}SiAl and NdFe{sub 10}MnAl. In the second project, seven compositions of Nd{sub x}Fe{sub 100-x-y}B{sub y} ribbons were prepared by a melt spinning method with Nd and B content increasing from 7.3 and 3.6 to 11 and 6, respectively. The alloys were annealed under optimized conditions to obtain a composite material consisting of the hard magnetic Nd{sub 2}Fe{sub 14}B and soft magnetic {alpha}-Fe phases, typical of a spring magnet structure. In the third project, intermetallic compounds of the type Zr{sub 1}Cr{sub 1}Fe{sub 1}T{sub 0.8} with T = Al, Co and Fe were subjected to hydrogenation. In the fourth project, we performed three crucial experiments. In the first experiment, we subjected a mixture of Fe{sub 3}O{sub 4} and Fe (80-20 wt %) to mechanochemical activation by high-energy ball milling, for time periods ranging from 0.5 to 14 hours. In the second experiment, we ball-milled Fe{sub 3}O{sub 4}:Co{sup 2+} (x = 0.1) for time intervals between 2.5 and 17.5 hours. Finally, we exposed a mixture of Fe{sub 3}O{sub 4} and Co (80-20 wt %) to mechanochemical activation for time periods ranging from 0.5 to 10 hours. In all cases, the structural and magnetic properties of the systems involved were elucidated by X-ray diffraction (XRD), Moessbauer spectroscopy and hysteresis loop measurements. The four projects resulted in four papers, which were published in Intermetallics, IEEE Transactions on Magnetics, Journal of Materials Science Letters and Materials Chemistry and Physics. The contributions reveal for the first time in literature the effect of

  7. Grained composite materials prepared by combustion synthesis under mechanical pressure

    DOE Patents [OSTI]

    Dunmead, Stephen D.; Holt, Joseph B.; Kingman, Donald D.; Munir, Zuhair A.

    1990-01-01

    Dense, finely grained composite materials comprising one or more ceramic phase or phase and one or more metallic and/or intermetallic phase or phases are produced by combustion synthesis. Spherical ceramic grains are homogeneously dispersed within the matrix. Methods are provided, which include the step of applying mechanical pressure during or immediately after ignition, by which the microstructures in the resulting composites can be controllably selected.

  8. Cermet materials prepared by combustion synthesis and metal infiltration

    DOE Patents [OSTI]

    Holt, Joseph B.; Dunmead, Stephen D.; Halverson, Danny C.; Landingham, Richard L.

    1991-01-01

    Ceramic-metal composites (cermets) are made by a combination of self-propagating high temperature combustion synthesis and molten metal infiltration. Solid-gas, solid-solid and solid-liquid reactions of a powder compact produce a porous ceramic body which is infiltrated by molten metal to produce a composite body of higher density. AlN-Al and many other materials can be produced.

  9. Cermet materials prepared by combustion synthesis and metal infiltration

    DOE Patents [OSTI]

    Holt, J.B.; Dunmead, S.D.; Halverson, D.C.; Landingham, R.L.

    1991-01-29

    Ceramic-metal composites (cermets) are made by a combination of self-propagating high temperature combustion synthesis and molten metal infiltration. Solid-gas, solid-solid and solid-liquid reactions of a powder compact produce a porous ceramic body which is infiltrated by molten metal to produce a composite body of higher density. AlN-Al and many other materials can be produced. 6 figures.

  10. Catalytic Deprotection of Acetals In Strongly Basic Solution Usinga Self-Assembled Supramolecular 'Nanozyme'

    SciTech Connect (OSTI)

    Pluth, Michael D.; Bergman, Robert G.; Raymond, Kenneth N.

    2007-07-26

    Acetals are among the most commonly used protecting groups for aldehydes and ketones in organic synthesis due to their ease of installation and resistance to cleavage in neutral or basic solution.[1] The common methods for hydrolyzing acetals almost always involve the use of either Broensted acid or Lewis acid catalysts.[2] Usually aqueous acids or organic solutions acidified with organic or inorganic acids have been used for reconversion of the acetal functionality to the corresponding carbonyl group; however, recently a number of reports have documented a variety of strategies for acetal cleavage under mild conditions. These include the use of Lewis acids such as bismuth(III)[3] or cerium(IV),[4, 5] functionalized silica gel, such as silica sulfuric acid[6] or silica-supported pyridinium p-toluene sulfonate,[7] or the use of silicon-based reagents such as TESOTf-2,6-Lutidine.[8] Despite these mild reagents, all of the above conditions require either added acid or overall acidic media. Marko and co-workers recently reported the first example of acetal deprotection under mildly basic conditions using catalytic cerium ammonium nitrate at pH 8 in a water-acetonitrile solution.[5] Also recently, Rao and co-workers described a purely aqueous system at neutral pH for the deprotection of acetals using {beta}-cyclodextrin as the catalyst.[9] Herein, we report the hydrolysis of acetals in strongly basic aqueous solution using a self-assembled supramolecular host as the catalyst. During the last decade, we have used metal-ligand interactions for the formation of well-defined supramolecular assemblies with the stoichiometry M{sub 4}L{sub 6}6 (M = Ga{sup III} (1 refers to K{sub 12}[Ga{sub 4}L{sub 6}]), Al{sup III}, In{sup III}, Fe{sup III}, Ti{sup IV}, or Ge{sup IV}, L = N,N{prime}-bis(2,3-dihydroxybenzoyl)-1,5-diaminonaphthalene) (Figure 1).[10] The metal ions occupy the vertices of the tetrahedron and the bisbidentate catecholamide ligands span the edges. The strong

  11. Solar synthesis of advanced materials: A solar industrial program initiative

    SciTech Connect (OSTI)

    Lewandowski, A.

    1992-06-01

    This is an initiative for accelerating the use of solar energy in the advanced materials manufacturing industry in the United States. The initiative will be based on government-industry collaborations that will develop the technology and help US industry compete in the rapidly expanding global advanced materials marketplace. Breakthroughs in solar technology over the last 5 years have created exceptional new tools for developing advanced materials. Concentrated sunlight from solar furnaces can produce intensities that approach those on the surface of the sun and can generate temperatures well over 2000{degrees}C. Very thin layers of illuminated surfaces can be driven to remarkably high temperatures in a fraction of a second. Concentrated solar energy can be delivered over large areas, allowing for rapid processing and high production rates. By using this technology, researchers are transforming low-cost raw materials into high-performance products. Solar synthesis of advanced materials uses bulk materials and energy more efficiently, lowers processing costs, and reduces the need for strategic materials -- all with a technology that does not harm the environment. The Solar Industrial Program has built a unique, world class solar furnace at NREL to help meet the growing need for applied research in advanced materials. Many new advanced materials processes have been successfully demonstrated in this facility, including the following: Metalorganic deposition, ceramic powders, diamond-like carbon materials, rapid heat treating, and cladding (hard coating).

  12. Substrate effect on nanoporous structure of silica wires by channel-confined self-assembly of block-copolymer and sol-gel precursors

    SciTech Connect (OSTI)

    Hu, Michael Z.; Lai, Peng

    2015-01-01

    Nanoporous silica wires of various wire diameters were developed by space-confined molecular self-assembly of triblock copolymer ethylene/propylene/ethylene (P123) and silica alkoxide precursor (tetraethylorthosilicate, TEOS). Two distinctive hard-templating substrates, anodized aluminum oxide (AAO) and track-etched polycarbonate (EPC), with channel diameters in the range between 10 nm and 200 nm were employed for space-confinement of soft molecular self-assembly driven by the block-copolymer microphase separation. It was observed in the scanning and transmission electron microscope (STEM) studies that the substrate geometry and material characteristics had pronounced effects on the structure and morphology of the silica nanowires. A substrate wall effect was proposed to explain the ordering and orientation of the intra-wire mesostructure. Circular and spiral nanostructures were found only in wires formed in AAO substrate, not in EPC. Pore-size differences and distinctive wall morphologies of the nanowires relating to the substrates were discussed. It was shown that the material and channel wall characteristics of different substrates play key roles in the ordering and morphology of the intra-wire nanostructures.

  13. Substrate effect on nanoporous structure of silica wires by channel-confined self-assembly of block-copolymer and sol-gel precursors

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Hu, Michael Z.; Lai, Peng

    2015-01-01

    Nanoporous silica wires of various wire diameters were developed by space-confined molecular self-assembly of triblock copolymer ethylene/propylene/ethylene (P123) and silica alkoxide precursor (tetraethylorthosilicate, TEOS). Two distinctive hard-templating substrates, anodized aluminum oxide (AAO) and track-etched polycarbonate (EPC), with channel diameters in the range between 10 nm and 200 nm were employed for space-confinement of soft molecular self-assembly driven by the block-copolymer microphase separation. It was observed in the scanning and transmission electron microscope (STEM) studies that the substrate geometry and material characteristics had pronounced effects on the structure and morphology of the silica nanowires. A substrate wall effect was proposed tomore » explain the ordering and orientation of the intra-wire mesostructure. Circular and spiral nanostructures were found only in wires formed in AAO substrate, not in EPC. Pore-size differences and distinctive wall morphologies of the nanowires relating to the substrates were discussed. It was shown that the material and channel wall characteristics of different substrates play key roles in the ordering and morphology of the intra-wire nanostructures.« less

  14. Simulation of macromolecule self-assembly in solution: A multiscale approach

    SciTech Connect (OSTI)

    Lavino, Alessio D. Barresi, Antonello A. Marchisio, Daniele L.; Pasquale, Nicodemo di; Carbone, Paola

    2015-12-17

    One of the most common processes to produce polymer nanoparticles is to induce self-assembly by using the solvent-displacement method, in which the polymer is dissolved in a “good” solvent and the solution is then mixed with an “anti-solvent”. The polymer ability to self-assemble in solution is therefore determined by its structural and transport properties in solutions of the pure solvents and at the intermediate compositions. In this work, we focus on poly-ε-caprolactone (PCL) which is a biocompatible polymer that finds widespread application in the pharmaceutical and biomedical fields, performing simulation at three different scales using three different computational tools: full atomistic molecular dynamics (MD), population balance modeling (PBM) and computational fluid dynamics (CFD). Simulations consider PCL chains of different molecular weight in solution of pure acetone (good solvent), of pure water (anti-solvent) and their mixtures, and mixing at different rates and initial concentrations in a confined impinging jets mixer (CIJM). Our MD simulations reveal that the nano-structuring of one of the solvents in the mixture leads to an unexpected identical polymer structure irrespectively of the concentration of the two solvents. In particular, although in pure solvents the behavior of the polymer is, as expected, very different, at intermediate compositions, the PCL chain shows properties very similar to those found in pure acetone as a result of the clustering of the acetone molecules in the vicinity of the polymer chain. We derive an analytical expression to predict the polymer structural properties in solution at different solvent compositions and use it to formulate an aggregation kernel to describe the self-assembly in the CIJM via PBM and CFD. Simulations are eventually validated against experiments.

  15. Method for selective immobilization of macromolecules on self assembled monolayer surfaces

    DOE Patents [OSTI]

    Laskin, Julia; Wang, Peng

    2011-11-29

    Disclosed is a method for selective chemical binding and immobilization of macromolecules on solid supports in conjunction with self-assembled monolayer (SAM) surfaces. Immobilization involves selective binding of peptides and other macromolecules to SAM surfaces using reactive landing (RL) of mass-selected, gas phase ions. SAM surfaces provide a simple and convenient platform for tailoring chemical properties of a variety of substrates. The invention finds applications in biochemistry ranging from characterization of molecular recognition events at the amino acid level and identification of biologically active motifs in proteins, to development of novel biosensors and substrates for stimulated protein and cell adhesion.

  16. Enzymatic Ligation Creates Discrete Multi-Nanoparticle Building Blocks for Self-Assembly

    SciTech Connect (OSTI)

    Claridge, Shelley A.; Mastroianni, Alexander J.; Au, Yeung B.; Liang, Huiyang W.; Micheel, Christine M.; Frechet, Jean M.J.; Alivisatos, A. Paul

    2008-05-27

    Enzymatic ligation of discrete nanoparticle?DNA conjugates creates nanoparticle dimer and trimer structures in which the nanoparticles are linked by single-stranded DNA, rather than double-stranded DNA as in previous experiments. Ligation is verified by agarose gel and small-angle X-ray scattering. This capability is utilized in two ways: first to create a new class of multiparticle building blocks for nanoscale self-assembly; second to develop a system which can amplify a population of discrete nanoparticle assemblies.

  17. Arc Plasma Synthesis of Nanostructured Materials: Techniques and Innovations

    SciTech Connect (OSTI)

    Das, A. K.; Bhoraskar, S. V.; Kakati, M.; Karmakar, Soumen

    2008-10-23

    Arc plasma aided synthesis of nanostructured materials has the potential of producing complex nano phase structures in bulk quantities. Successful implementation of this potential capability to industrial scale nano generation needs establishment of a plasma parameter control regime in terms of plasma gas, flow pattern, pressure, local temperature and the plasma fields to obtain the desired nano phase structures. However, there is a need to design innovative in situ experiments for generation of an extensive database and subsequently to correlate plasma parameters to the size, shape and phase of the generated nanostructures. The present paper reviews the various approaches utilized in the field of arc plasma nanosynthesis in general and in the authors' laboratories in particular. Simple plasma diagnostics and monitoring schemes have been used in conjunction with nano materials characterization tools to explore the possibility of controlling the size, shape, yield and phase composition of the arc generated nanostructures through plasma control. Case studies related to synthesis of AlN, Al2O3, TiO2, ZrO2, ZnO), magnetic (e.g. {gamma}-Fe2O3, Fe3O4) and single elemental materials (e.g. carbon nanotubes) are presented.

  18. Covalent Immobilization of Peptides on Self-Assembled Monolayer Surfaces Using Soft-Landing of Mass-Selected Ions

    SciTech Connect (OSTI)

    Wang, Peng; Hadjar, Omar; Laskin, Julia

    2007-06-23

    Covalent immobilization of peptides on solid supports plays an important role in biochemistry with applications ranging from characterization of molecular recognition events at the amino acid level and identification of biologically active motifs in proteins to development of novel biosensors and substrates for improved cell adhesion. Self-assembled monolayer surfaces (SAMs) provide a simple and convenient platform for tailoring chemical properties of a variety of substrates. Existing techniques for linking peptides to SAMs are based on solution-phase synthetic strategies and require relatively large quantities of purified material. Here, we report a novel approach for highly selective covalent binding of peptides to SAMs using soft-landing (SL) of mass-selected ions. SL is defined as intact deposition of ions onto suitable substrates at hyperthermal (<100 eV) energies.Recent studies have demonstrated that SAMs are excellent deposition targets for SL due to their ability to dissipate kinetic energies of the projectiles and their efficiency in trapping captured species. It has been proposed that SL could be utilized for controlled preparation of protein arrays.

  19. Poly(ethylene oxide)-Assisted Macromolecular Self-Assembly of Lignin in ABS Matrix for Sustainable Composite Applications

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Akato, Kokouvi M.; Tran, Chau D.; Chen, Jihua; Naskar, Amit K.

    2015-11-05

    Here we report the compatibilization of biomass-derived lignin polymer in acrylonitrile butadiene styrene (ABS) thermoplastic matrix without loss of mechanical properties via poly(ethylene oxide) (PEO)-mediated macromolecular self-assembly. ABS was blended with lignin in different concentrations, and blends with 10 wt % PEO (relative to lignin) were prepared. The relative tensile strength improved slightly at low lignin content but diminished rapidly as the lignin content was increased. However, the inclusion of PEO as an interfacial adhesion promoter helped avoid deleterious effects. Dynamic mechanical analysis showed that PEO plasticized the hard phase and thus lowered the activation energy (Ea) for its relaxationmore » but caused stiffening of the soft phase and increased its Ea. Microscopy revealed that incorporating lignin in ABS led to the statistical dispersion of discrete lignin domains (300–1000 nm) which, after PEO addition, were reduced to smaller interconnected particles (200–500 nm). The lignin-extended partially renewable ABS resins showed shear-thinning behavior and reduced viscosity compared to neat ABS. The preferred lignin-loaded compositions reinforced with 20 vol % chopped carbon fibers exhibited mechanical performances (77–80 MPa) equivalent to those of reinforced ABS materials reportedly used in 3D printing applications. In conclusion, this approach could lower the cost of ABS while reducing its carbon footprint.« less

  20. Poly(ethylene oxide)-Assisted Macromolecular Self-Assembly of Lignin in ABS Matrix for Sustainable Composite Applications

    SciTech Connect (OSTI)

    Akato, Kokouvi M.; Tran, Chau D.; Chen, Jihua; Naskar, Amit K.

    2015-11-05

    Here we report the compatibilization of biomass-derived lignin polymer in acrylonitrile butadiene styrene (ABS) thermoplastic matrix without loss of mechanical properties via poly(ethylene oxide) (PEO)-mediated macromolecular self-assembly. ABS was blended with lignin in different concentrations, and blends with 10 wt % PEO (relative to lignin) were prepared. The relative tensile strength improved slightly at low lignin content but diminished rapidly as the lignin content was increased. However, the inclusion of PEO as an interfacial adhesion promoter helped avoid deleterious effects. Dynamic mechanical analysis showed that PEO plasticized the hard phase and thus lowered the activation energy (Ea) for its relaxation but caused stiffening of the soft phase and increased its Ea. Microscopy revealed that incorporating lignin in ABS led to the statistical dispersion of discrete lignin domains (300–1000 nm) which, after PEO addition, were reduced to smaller interconnected particles (200–500 nm). The lignin-extended partially renewable ABS resins showed shear-thinning behavior and reduced viscosity compared to neat ABS. The preferred lignin-loaded compositions reinforced with 20 vol % chopped carbon fibers exhibited mechanical performances (77–80 MPa) equivalent to those of reinforced ABS materials reportedly used in 3D printing applications. In conclusion, this approach could lower the cost of ABS while reducing its carbon footprint.

  1. Superconductivity in epitaxially grown self-assembled indium islands: progress towards hybrid superconductor/semiconductor optical sources

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Gehl, Michael; Gibson, Ricky; Zandbergen, Sander; Keiffer, Patrick; Sears, Jasmine; Khitrova, Galina

    2016-02-01

    Currently, superconducting qubits lead the way in potential candidates for quantum computing. This is a result of the robust nature of superconductivity and the non-linear Josephson effect which make possible many types of qubits. At the same time, transferring quantum information over long distances typically relies on the use of photons as the elementary qubit. Converting between stationary electronic qubits in superconducting systems and traveling photonic qubits is a challenging yet necessary goal for the interface of quantum computing and communication. The most promising path to achieving this goal appears to be the integration of superconductivity with optically active semiconductors,more » with quantum information being transferred between the two by means of the superconducting proximity effect. Obtaining good interfaces between superconductor and semiconductor is the next obvious step for improving these hybrid systems. As a result, we report on our observation of superconductivity in self-assembled indium structures grown epitaxially on the surface of semiconductor material.« less

  2. Self-Assembled Silica Nano-Composite Polymer Electrolytes: Synthesis, Rheology & Electrochemistry

    SciTech Connect (OSTI)

    Khan, Saad A.: Fedkiw Peter S.; Baker, Gregory L.

    2007-01-24

    The ultimate objectives of this research are to understand the principles underpinning nano-composite polymer electrolytes (CPEs) and facilitate development of novel CPEs that are low-cost, have high conductivities, large Li+ transference numbers, improved electrolyte-electrode interfacial stability, yield long cycle life, exhibit mechanical stability and are easily processable. Our approach is to use nanoparticulate silica fillers to formulate novel composite electrolytes consisting of surface-modified fumed silica nano-particles in polyethylene oxides (PEO) in the presence of lithium salts. We intend to design single-ion conducting silica nanoparticles which provide CPEs with high Li+ transference numbers. We also will develop low-Mw (molecular weight), high-Mw and crosslinked PEO electrolytes with tunable properties in terms of conductivity, transference number, interfacial stability, processability and mechanical strength

  3. Pressure-reaction synthesis of titanium composite materials

    DOE Patents [OSTI]

    Oden, Laurance L.; Ochs, Thomas L.; Turner, Paul C.

    1993-01-01

    A pressure-reaction synthesis process for producing increased stiffness and improved strength-to-weight ratio titanium metal matrix composite materials comprising exothermically reacting a titanium powder or titanium powder alloys with non-metal powders or gas selected from the group consisting of C, B, N, BN, B.sub.4 C, SiC and Si.sub.3 N.sub.4 at temperatures from about 900.degree. to about 1300.degree. C., for about 5 to about 30 minutes in a forming die under pressures of from about 1000 to 5000 psi.

  4. Interfacial Properties and Design of Functional Energy Materials

    SciTech Connect (OSTI)

    Sumpter, Bobby G [ORNL; Liang, Liangbo [ORNL; Nicolai, Adrien [Rensselaer Polytechnic Institute (RPI); Meunier, V. [Rensselaer Polytechnic Institute (RPI)

    2014-01-01

    The vital importance of energy to society continues to demand a relentless pursuit of energy responsive materials that can bridge fundamental chemical structures at the molecular level and achieve improved functionality, such as efficient energy conversion/storage/transmission, over multiple length scales. This demand can potentially be realized by harnessing the power of self-assembly a spontaneous process where molecules or much larger entities form ordered aggregates as a consequence of predominately non-covalent (weak) interactions. Self-assembly is the key to bottom-up design of molecular devices, because the nearly atomic-level control is very difficult to realize in a top-down, e.g., lithographic approach. However, while function (e.g., charge mobility) in simple systems such as single crystals can often be predicted, predicting the function of the great variety of self-assembled molecular architectures is complicated by the lack of understanding and control over nanoscale interactions, mesoscale architectures, and macroscale (long-range) order. To establish a foundation toward delivering practical solutions, it is critical to develop an understanding of the chemical and physical mechanisms responsible for the self-assembly of molecular and hybrid materials on various substrates. Typically molecular self-assembly involves poorly understood non-covalent intermolecular and substrate-molecule interactions compounded by local and/or collective influences from the substrate atomic lattice (symmetry and/or topological features) and electronic structure. Thus, progress towards unraveling the underlying physicochemical processes that control the structure and macroscopic physical, mechanical, electrical, and transport properties of materials increasingly requires tight integration of theory, modeling and simulation with precision synthesis, advanced experimental characterization, and device measurements. In this mode, theory and simulation can greatly accelerate the

  5. Self-assembly of tin wires via phase transformation of heteroepitaxial germanium-tin on germanium substrate

    SciTech Connect (OSTI)

    Wang, Wei; Li, Lingzi; Yeo, Yee-Chia; Tok, Eng Soon

    2015-06-14

    This work demonstrates and describes for the first time an unusual strain-relaxation mechanism by the formation and self-assembly of well-ordered tin wires during the thermal annealing of epitaxial Ge{sub 0.83}Sn{sub 0.17}-on-Ge(001) substrate. Fully strained germanium-tin alloys (Ge{sub 0.83}Sn{sub 0.17}) were epitaxially grown on Ge(001) substrate by molecular beam epitaxy. The morphological and compositional evolution of Ge{sub 0.83}Sn{sub 0.17} during thermal annealing is studied by atomic force microscopy, X-ray diffraction, transmission electron microscopy. Under certain annealing conditions, the Ge{sub 0.83}Sn{sub 0.17} layer decomposes into two stable phases, and well-defined Sn wires that are preferentially oriented along two orthogonal ?100? azimuths are formed. The formation of the Sn wires is related to the annealing temperature and the Ge{sub 0.83}Sn{sub 0.17} thickness, and can be explained by the nucleation of a grain with Sn islands on the outer front, followed by grain boundary migration. The Sn wire formation process is found to be thermally activated, and an activation enthalpy (E{sub c}) of 0.41?eV is extracted. This thermally activated phase transformation, i.e., 2D epitaxial layer to 3D wires, occurs via a mechanism akin to cellular precipitation. This synthesis route of Sn wires opens new possibilities for creation of nanoscale patterns at high-throughput without the need for lithography.

  6. Strain-relief by single dislocation loops in calcite crystals grown on self-assembled monolayers

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ihli, Johannes; Clark, Jesse N.; Côté, Alexander S.; Kim, Yi-Yeoun; Schenk, Anna S.; Kulak, Alexander N.; Comyn, Timothy P.; Chammas, Oliver; Harder, Ross J.; Duffy, Dorothy M.; et al

    2016-06-15

    Most of our knowledge of dislocation-mediated stress relaxation during epitaxial crystal growth comes from the study of inorganic heterostructures. In this study, we use Bragg coherent diffraction imaging to investigate a contrasting system, the epitaxial growth of calcite (CaCO3) crystals on organic self-assembled monolayers, where these are widely used as a model for biomineralization processes. The calcite crystals are imaged to simultaneously visualize the crystal morphology and internal strain fields. Our data reveal that each crystal possesses a single dislocation loop that occupies a common position in every crystal. The loops exhibit entirely different geometries to misfit dislocations generated inmore » conventional epitaxial thin films and are suggested to form in response to the stress field, arising from interfacial defects and the nanoscale roughness of the substrate. In conclusion, this work provides unique insight into how self-assembled monolayers control the growth of inorganic crystals and demonstrates important differences as compared with inorganic substrates.« less

  7. Cooperative, Multicentered CH/ Interaction-Controlled Supramolecular Self-Assembly Processes

    SciTech Connect (OSTI)

    Li, Qing; Han, Chengbo; Horton, Scott R; Fuentes-Cabrera, Miguel A; Sumpter, Bobby G; Lu, Wenchang; Bernholc, J.; Maksymovych, Petro; Pan, Minghu

    2012-01-01

    Supramolecular self-assembly on well-defined surfaces provides access to a multitude of nanoscale architectures, including clusters of distinct symmetry and size. The driving forces underlying supramolecular structures generally involve both graphoepitaxy and weak directional nonconvalent interactions. Here we show that functionalizing a benzene molecule with an ethyne group introduces attractive interactions in a 2D geometry, which would otherwise be dominated by intermolecular repulsion. Furthermore, the attractive interactions enable supramolecular self-assembly, wherein a subtle balance between very weak CH/{pi} bonding and molecule-surface interactions produces a well-defined 'magic' dimension and chirality of supramolecular clusters. The nature of the process is corroborated by extensive scanning tunneling microscopy/spectroscopy (STM/S) measurements and ab initio calculations, which emphasize the cooperative, multicenter characters of the CH/{pi} interaction. This work points out new possibilities for chemical functionalization of {pi}-conjugated hydrocarbon molecules that may allow for the rational design of supramolecular clusters with a desired shape and size.

  8. Molecular Behavior of DNA Origami in Higher-Order Self-Assembly

    SciTech Connect (OSTI)

    Li, Zhe; Liu, Minghui; Lei, Wang; Nangreave, Jeanette; Yan, Hao; Liu, Yan

    2010-09-08

    DNA-based self-assembly is a unique method for achieving higher-order molecular architectures made possible by the fact that DNA is a programmable information-coding polymer. In the past decade, two main types of DNA nanostructures have been developed: branch-shaped DNA tiles with small dimensions (commonly up to ~20 nm) and DNA origami tiles with larger dimensions (up to ~100 nm). Here we aimed to determine the important factors involved in the assembly of DNA origami superstructures. We constructed a new series of rectangular-shaped DNA origami tiles in which parallel DNA helices are arranged in a zigzag pattern when viewed along the DNA helical axis, a design conceived in order to relax an intrinsic global twist found in the original planar, rectangular origami tiles. Self-associating zigzag tiles were found to form linear arrays in both diagonal directions, while planar tiles showed significant growth in only one direction. Although the series of zigzag tiles were designed to promote two-dimensional array formation, one-dimensional linear arrays and tubular structures were observed instead. We discovered that the dimensional aspect ratio of the origami unit tiles and intertile connection design play important roles in determining the final products, as revealed by atomic force microscopy imaging. This study provides insight into the formation of higher-order structures from self-assembling DNA origami tiles, revealing their unique behavior in comparison with conventional DNA tiles having smaller dimensions.

  9. Self-assembled monolayer mechanism for corrosion inhibition of iron by imidazolines

    SciTech Connect (OSTI)

    Ramachandran, S.; Tsai, B.L.; Blanco, M.; Goddard, W.A. III; Chen, H.; Tang, Y.

    1996-12-25

    Some of the most effective corrosion inhibitors for oil field pipeline applications are the oleic imidazoline (OI) class of molecules. However, the mechanism by which the OIs inhibit corrosion is not known. We report atomistic simulations (quantum mechanics and molecular dynamics) designed to elucidate this mechanism. These studies lead to the self-assembled monolayer (SAM) model for corrosion inhibition, which explains the differences in corrosion inhibition efficiency for various OI molecules. The SAM model of OI inhibitors involves the following critical elements: (i) strong bonding of the head group to Lewis acid sites on the iron oxide surface, (ii) self-assembly of the inhibitors on these surfaces to obtain a pattern controlled by the shape of the head group, (iii) self-organization of the tails to form a coherent hydrophobic film that serves as a barrier for migration of water, oxygen, and electrons to the metal surface, and (iv) optimal oil/water partitioning of the inhibitor molecules so that a monolayer can be formed on the surface with only ppm concentration in solution. 25 refs., 13 figs., 3 tabs.

  10. Chemical Functionalization, Self-Assembly, and Applications of Nanomaterials and Nanocomposites

    SciTech Connect (OSTI)

    Jiao, Tifeng; Yan, Xingbin; Balan, Lavinia; Stepanov, Andrey; Chen, Xinqing; Hu, Michael Z.

    2014-01-01

    This special issue addresses the research studies on chemical functionalization, self-assembly, and applications of nanomaterials and nanocomposites. It contains twentyfour articles including two reviews and twenty-two research articles. It is used to create new functional nanomaterials and nanocomposites with a variety of sizes and morphologies such as Zn/Al layered double hydroxide, tin oxide nanowires, FeOOH-modified anion resin, Au nanoclusters silica composite nanospheres, Ti-doped ZnO sol-composite films, TiO2/ZnO composite, graphene oxide nanocomposites, LiFePO4/C nanocomposites, and chitosan nanoparticles. These nanomaterials and nanocomposites have widespread applications in tissue engineering, antitumor, sensors, photoluminescence, electrochemical, and catalytic properties. In addition, this themed issue includes some research articles about self-assembly systems covering organogels and Langmuir films. Furthermore, B. Blasiak et al. performed a literature survey on the recent advances in production, functionalization, toxicity reduction, and application of nanoparticles in cancer diagnosis, treatment, and treatment monitoring. P. Colson et al. performed a literature survey on the recent advances in nanosphere lithography due to its compatibility with wafer-scale processes as well as its potential to manufacture a wide variety of homogeneous one-, two-, or three-dimensional nanostructures.

  11. Shock-induced synthesis of high temperature superconducting materials

    DOE Patents [OSTI]

    Ginley, D.S.; Graham, R.A.; Morosin, B.; Venturini, E.L.

    1987-06-18

    It has now been determined that the unique features of the high pressure shock method, especially the shock-induced chemical synthesis technique, are fully applicable to high temperature superconducting materials. Extraordinarily high yields are achievable in accordance with this invention, e.g., generally in the range from about 20% to about 99%, often in the range from about 50% to about 90%, lower and higher yields, of course, also being possible. The method of this invention involves the application of a controlled high pressure shock compression pulse which can be produced in any conventional manner, e.g., by detonation of a high explosive material, the impact of a high speed projectile or the effect of intense pulsed radiation sources such as lasers or electron beams. Examples and a discussion are presented.

  12. Matching field effects at tesla-level magnetic fields in critical current density in high-Tc superconductors containing self-assembled columnar defects

    SciTech Connect (OSTI)

    Sinclair, J.; Zuev, Yuri L; Cantoni, Claudia; Wee, Sung Hun; Varanasi, C. V.; Thompson, James R; Christen, David K

    2012-01-01

    We have investigated the superconductive transport properties of YBa2Cu3O7 films containing self-assembled columnar arrays of second phase SrZrO3 or BaSnO3 precipitates. A matching condition between columnar pinning sites (aligned at or near the c axis) and external magnetic flux, tilted with respect to them, is identified in the critical current JC.H/ data. The results for the material containing SrZrO3-based pins are analyzed within a simple intuitive model. At matching, the critical current is enhanced above the model prediction. In complementary contact-free investigations of BaSnO3-doped material, matching effects are observed over a wide range of temperatures in the field dependence of JC.H/. The deduced matching fields agree reasonably well with the densities of columnar pins directly observed by scanning electron microscopy.

  13. Nano-Structured Mesoporous Silica Wires with Intra-Wire Lamellae via Evaporation-Induced Self-Assembly in Space-Confined Channels

    SciTech Connect (OSTI)

    Hu, Michael Z.; Shi, Donglu; Blom, Douglas Allen

    2014-04-06

    Evaporation-induced self-assembly (EISA) of silica sol-gel ethanol-water solution mixtures with block-copolymer were studied inside uniform micro/nano channels. Nano-structured mesoporous silica wires, with various intra-wire self-assembly structures including lamellae, were prepared via EISA process but in space-confined channels with the diameter ranging from 50 nm to 200 nm. Membranes made of anodized aluminum oxide (AAO) and track-etched polycarbonate (EPC) were utilized as the arrays of space-confined channels (i.e., 50, 100, and 200-nm EPC and 200-nm AAO) for infiltration and drying of mixture solutions; these substrate membranes were submerged in mixture solutions consisting of a silica precursor, a structure-directing agent, ethanol, and water. After the substrate channels were filled with the solution under vacuum impregnation, the membrane was removed from the solution and dried in air. The silica precursor used was tetra-ethyl othosilicate (TEOS), and the structure-directing agent employed was triblock copolymer Pluronic-123 (P123). It was found that the formation of the mesoporous nanostructures in silica wires within uniform channels were significantly affected by the synthesis conditions including (1) pre-assemble TEOS aging time, (2) the evaporation rate during the vacuum impregnation, and (3) the air-dry temperature. The obtained intra-wire structures, including 2D-hexagonal rods and lamellae, were studied by scanning transmission electron microscopy (STEM). A steric hindrance effect seems to explain well the observed polymer-silica mesophase formation tailored by TEOS aging time. The evaporation effect, air-drying effect, and AAO-vs-EPC substrate effect on the mesoporous structure of the formed silica wires were also presented and discussed.

  14. Nanostructured Materials for Improved Photovoltaics

    SciTech Connect (OSTI)

    Morgan, Sarah E.; Cannon, Gordon C.; Heinhorst, Sabine; Rawlins, James W.

    2004-07-18

    This research addresses the fundamental issues of cell morphology and phase dimensions that determine conversion efficiency in polymeric organic photovoltaic devices. The approach will help explain the relationships between morphological control, domain size, and power conversion efficiency in OPV devices, with the goal of providing direction for development of OPV systems with greater efficiency. The program addresses the DOE Office of Energy Efficiency and Renewable Energy goals of providing economically sustainable clean energy technologies to reduce dependence on foreign oil. This research focused on synthesis, fabrication and analysis of both active and protective layers for improved organic and inorganic hybrid PV (PhotoVoltaic) materials. A systematic study of phase size, shape, and distance was conducted to determine the effects of morphology in each process. Four classes of nanostructured materials were studied: 1) functional block copolymers (AB, acceptor-donor blocks) that self-assemble into matched domain sizes 2) synthetic core-shell particles with separate acceptor and donor layers 3) bacterial micro-compartment (BMC) proteins as self-assembling shells for core-shell nanoparticle constructs and 4) polyhedral oligomeric silsesquioxane (POSS) nanostructured chemicals for enhanced efficiency and durability.

  15. Well-defined PI-b-PAA/PS-b-PI-b-PAA Block Copolymers: Synthesis...

    Office of Scientific and Technical Information (OSTI)

    Media Citation Details In-Document Search Title: Well-defined PI-b-PAAPS-b-PI-b-PAA Block Copolymers: Synthesis and Their Self-Assembled Hierarchical Structures in Aqueous Media ...

  16. Final LDRD report : infrared detection and power generation using self-assembled quantum dots.

    SciTech Connect (OSTI)

    Cederberg, Jeffrey George; Ellis, Robert; Shaner, Eric Arthur

    2008-02-01

    Alternative solutions are desired for mid-wavelength and long-wavelength infrared radiation detection and imaging arrays. We have investigated quantum dot infrared photodetectors (QDIPs) as a possible solution for long-wavelength infrared (8 to 12 {mu}m) radiation sensing. This document provides a summary for work done under the LDRD 'Infrared Detection and Power Generation Using Self-Assembled Quantum Dots'. Under this LDRD, we have developed QDIP sensors and made efforts to improve these devices. While the sensors fabricated show good responsivity at 80 K, their detectivity is limited by high noise current. Following efforts concentrated on how to reduce or eliminate this problem, but with no clear path was identified to the desired performance improvements.

  17. Infrared spectroscopy of large scale single layer graphene on self assembled organic monolayer

    SciTech Connect (OSTI)

    Woo Kim, Nak; Youn Kim, Joo; Lee, Chul; Choi, E. J.; Jin Kim, Sang; Hee Hong, Byung

    2014-01-27

    We study the effect of self-assembled monolayer (SAM) organic molecule substrate on large scale single layer graphene using infrared transmission measurement on Graphene/SAM/SiO{sub 2}/Si composite samples. From the Drude weight of the chemically inert CH{sub 3}-SAM, the electron-donating NH{sub 2}-SAM, and the SAM-less graphene, we determine the carrier density doped into graphene by the three sources—the SiO{sub 2} substrate, the gas-adsorption, and the functional group of the SAM's—separately. The SAM-treatment leads to the low carrier density N ∼ 4 × 10{sup 11} cm{sup −2} by blocking the dominant SiO{sub 2}- driven doping. The carrier scattering increases by the SAM-treatment rather than decreases. However, the transport mobility is nevertheless improved due to the reduced carrier doping.

  18. Communication: Theoretical prediction of free-energy landscapes for complex self-assembly

    SciTech Connect (OSTI)

    Jacobs, William M.; Reinhardt, Aleks; Frenkel, Daan

    2015-01-14

    We present a technique for calculating free-energy profiles for the nucleation of multicomponent structures that contain as many species as building blocks. We find that a key factor is the topology of the graph describing the connectivity of the target assembly. By considering the designed interactions separately from weaker, incidental interactions, our approach yields predictions for the equilibrium yield and nucleation barriers. These predictions are in good agreement with corresponding Monte Carlo simulations. We show that a few fundamental properties of the connectivity graph determine the most prominent features of the assembly thermodynamics. Surprisingly, we find that polydispersity in the strengths of the designed interactions stabilizes intermediate structures and can be used to sculpt the free-energy landscape for self-assembly. Finally, we demonstrate that weak incidental interactions can preclude assembly at equilibrium due to the combinatorial possibilities for incorrect association.

  19. Pseudo-rotational epitaxy of self-assembled octadecyltrichlorosilane monolayers on sapphire (0001)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Steinruck, H. -G.; Ocko, B. M.; Magerl, A.; Deutsch, M.

    2014-10-06

    The structure of octadecyltrichlorosilane self-assembled monolayers (SAMs) on sapphire (0001) was studied by -resolution surface-specific x-ray scattering methods. The monolayer was found to consist of three sublayers where the outermost layer corresponds to vertically oriented, closely packed alkyl tails. Laterally, the monolayer is hexagonally packed and exhibits pseudorotational epitaxy to the sapphire, manifested by a broad scattering peak at zero relative azimuthal rotation, with long powderlike tails. The lattice mismatch of ~1% 3% to the sapphires and the different length scale introduced by the lateral Si-O-Si bonding prohibit positional epitaxy. However, the substrate induces an intriguing increase in themorecrystalline coherence length of the SAMs powderlike crystallites when rotationally aligned with the sapphires lattice. The increase correlates well with the rotational dependence of the separation of corresponding substrate-monolayer lattice sites.less

  20. Effects of self-assembled monolayer and PFPE lubricant on wear characteristics of flat silicon tips.

    SciTech Connect (OSTI)

    Kim, H. J.; Jang, C. E.; Kim, D. E.; Kim, Y. K.; Choa, S. H.; Hong, S.; Materials Science Division; Yonsei Univ.; Samsung Adv. Inst. Science and Technology; Seoul National Univ. of Technology

    2009-01-01

    The effects of self-assembled monolayer (SAM) and perfluoropolyether (PFPE) lubricant on the wear characteristics of flat silicon tips were investigated. The wear test consisted of sliding the silicon tips fabricated on a flat silicon specimen against SAM and PFPE (Z-tetraol) coated silicon (100) wafer. The tips were slid at a low speed for about 15 km under an applied load of 39.2 {micro}N. The wear volume of the tip was obtained by measuring the tip profile using an Atomic Force Microscope (AFM). It was found that the coatings were effective in reducing the wear of the tips by an order of magnitude from 10{sup -6} to 10{sup -7}.

  1. Self-assembled asymmetric membrane containing micron-size germanium for high capacity lithium ion batteries

    SciTech Connect (OSTI)

    Byrd, Ian; Chen, Hao; Webber, Theron; Li, Jianlin; Wu, Ji

    2015-10-23

    We report the formation of novel asymmetric membrane electrode containing micron-size (~5 μm) germanium powders through a self-assembly phase inversion method for high capacity lithium ion battery anode. 850 mA h g-1 capacity (70%) can be retained at a current density of 600 mA g-1 after 100 cycles with excellent rate performance. Such a high retention rate has rarely been seen for pristine micron-size germanium anodes. Moreover, scanning electron microscope studies reveal that germanium powders are uniformly embedded in a networking porous structure consisting of both nanopores and macropores. It is believed that such a unique porous structure can efficiently accommodate the ~260% volume change during germanium alloying and de-alloying process, resulting in an enhanced cycling performance. Finally, these porous membrane electrodes can be manufactured in large scale using a roll-to-roll processing method.

  2. Self-assembled asymmetric membrane containing micron-size germanium for high capacity lithium ion batteries

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Byrd, Ian; Chen, Hao; Webber, Theron; Li, Jianlin; Wu, Ji

    2015-10-23

    We report the formation of novel asymmetric membrane electrode containing micron-size (~5 μm) germanium powders through a self-assembly phase inversion method for high capacity lithium ion battery anode. 850 mA h g-1 capacity (70%) can be retained at a current density of 600 mA g-1 after 100 cycles with excellent rate performance. Such a high retention rate has rarely been seen for pristine micron-size germanium anodes. Moreover, scanning electron microscope studies reveal that germanium powders are uniformly embedded in a networking porous structure consisting of both nanopores and macropores. It is believed that such a unique porous structure can efficientlymore » accommodate the ~260% volume change during germanium alloying and de-alloying process, resulting in an enhanced cycling performance. Finally, these porous membrane electrodes can be manufactured in large scale using a roll-to-roll processing method.« less

  3. Pseudorotational epitaxy of self-assembled octadecyltrichlorosilane monolayers on sapphire (0001)

    SciTech Connect (OSTI)

    Steinrück, H. -G.; Magerl, A.; Deutsch, M.; Ocko, B. M.

    2014-10-06

    The structure of octadecyltrichlorosilane self-assembled monolayers (SAMs) on sapphire (0001) was studied by Å-resolution surface-specific x-ray scattering methods. The monolayer was found to consist of three sublayers where the outermost layer corresponds to vertically oriented, closely packed alkyl tails. Laterally, the monolayer is hexagonally packed and exhibits pseudorotational epitaxy to the sapphire, manifested by a broad scattering peak at zero relative azimuthal rotation, with long powderlike tails. The lattice mismatch of ~1% – 3% to the sapphire’s and the different length scale introduced by the lateral Si-O-Si bonding prohibit positional epitaxy. However, the substrate induces an intriguing increase in the crystalline coherence length of the SAM’s powderlike crystallites when rotationally aligned with the sapphire’s lattice. As a result, the increase correlates well with the rotational dependence of the separation of corresponding substrate-monolayer lattice sites.

  4. Pseudorotational epitaxy of self-assembled octadecyltrichlorosilane monolayers on sapphire (0001)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Steinrück, H. -G.; Magerl, A.; Deutsch, M.; Ocko, B. M.

    2014-10-06

    The structure of octadecyltrichlorosilane self-assembled monolayers (SAMs) on sapphire (0001) was studied by Å-resolution surface-specific x-ray scattering methods. The monolayer was found to consist of three sublayers where the outermost layer corresponds to vertically oriented, closely packed alkyl tails. Laterally, the monolayer is hexagonally packed and exhibits pseudorotational epitaxy to the sapphire, manifested by a broad scattering peak at zero relative azimuthal rotation, with long powderlike tails. The lattice mismatch of ~1% – 3% to the sapphire’s and the different length scale introduced by the lateral Si-O-Si bonding prohibit positional epitaxy. However, the substrate induces an intriguing increase in themore » crystalline coherence length of the SAM’s powderlike crystallites when rotationally aligned with the sapphire’s lattice. As a result, the increase correlates well with the rotational dependence of the separation of corresponding substrate-monolayer lattice sites.« less

  5. ELEMENTARY APPROACH TO SELF-ASSEMBLY AND ELASTIC PROPERTIES OF RANDOM COPOLYMERS

    SciTech Connect (OSTI)

    S. M. CHITANVIS

    2000-10-01

    The authors have mapped the physics of a system of random copolymers onto a time-dependent density functional-type field theory using techniques of functional integration. Time in the theory is merely a label for the location of a given monomer along the extent of a flexible chain. We derive heuristically within this approach a non-local constraint which prevents segments on chains in the system from straying too far from each other, and leads to self-assembly. The structure factor is then computed in a straightforward fashion. The long wave-length limit of the structure factor is used to obtain the elastic modulus of the network. It is shown that there is a surprising competition between the degree of micro-phase separation and the elastic moduli of the system.

  6. Material synthesis and hydrogen storage of palladium-rhodium alloy.

    SciTech Connect (OSTI)

    Lavernia, Enrique J.; Yang, Nancy Y. C.; Ong, Markus D.

    2011-08-01

    Pd and Pd alloys are candidate material systems for Tr or H storage. We have actively engaged in material synthesis and studied the material science of hydrogen storage for Pd-Rh alloys. In collaboration with UC Davis, we successfully developed/optimized a supersonic gas atomization system, including its processing parameters, for Pd-Rh-based alloy powders. This optimized system and processing enable us to produce {le} 50-{mu}m powders with suitable metallurgical properties for H-storage R&D. In addition, we studied hydrogen absorption-desorption pressure-composition-temperature (PCT) behavior using these gas-atomized Pd-Rh alloy powders. The study shows that the pressure-composition-temperature (PCT) behavior of Pd-Rh alloys is strongly influenced by its metallurgy. The plateau pressure, slope, and H/metal capacity are highly dependent on alloy composition and its chemical distribution. For the gas-atomized Pd-10 wt% Rh, the absorption plateau pressure is relatively high and consistent. However, the absorption-desorption PCT exhibits a significant hysteresis loop that is not seen from the 30-nm nanopowders produced by chemical precipitation. In addition, we observed that the presence of hydrogen introduces strong lattice strain, plastic deformation, and dislocation networking that lead to material hardening, lattice distortions, and volume expansion. The above observations suggest that the H-induced dislocation networking is responsible for the hysteresis loop seen in the current atomized Pd-10 wt% Rh powders. This conclusion is consistent with the hypothesis suggested by Flanagan and others (Ref 1) that plastic deformation or dislocations control the hysteresis loop.

  7. High-Resolution Structure of a Self-Assembly-Competent Form of a Hydrophobic Peptide Captured in a Soluble [beta]-Sheet Scaffold

    SciTech Connect (OSTI)

    Makabe, Koki; Biancalana, Matthew; Yan, Shude; Tereshko, Valentina; Gawlak, Grzegorz; Miller-Auer, Hlne; Meredith, Stephen C.; Koide, Shohei

    2010-02-08

    {beta}-Rich self-assembly is a major structural class of polypeptides, but still little is known about its atomic structures and biophysical properties. Major impediments for structural and biophysical studies of peptide self-assemblies include their insolubility and heterogeneous composition. We have developed a model system, termed peptide self-assembly mimic (PSAM), based on the single-layer {beta}-sheet of Borrelia outer surface protein A. PSAM allows for the capture of a defined number of self-assembly-like peptide repeats within a water-soluble protein, making structural and energetic studies possible. In this work, we extend our PSAM approach to a highly hydrophobic peptide sequence. We show that a penta-Ile peptide (Ile{sub 5}), which is insoluble and forms {beta}-rich self-assemblies in aqueous solution, can be captured within the PSAM scaffold in a form capable of self-assembly. The 1.1-{angstrom} crystal structure revealed that the Ile{sub 5} stretch forms a highly regular {beta}-strand within this flat {beta}-sheet. Self-assembly models built with multiple copies of the crystal structure of the Ile5 peptide segment showed no steric conflict, indicating that this conformation represents an assembly-competent form. The PSAM retained high conformational stability, suggesting that the flat {beta}-strand of the Ile{sub 5} stretch primed for self-assembly is a low-energy conformation of the Ile{sub 5} stretch and rationalizing its high propensity for self-assembly. The ability of the PSAM to 'solubilize' an otherwise insoluble peptide stretch suggests the potential of the PSAM approach to the characterization of self-assembling peptides.

  8. Charge Retention by Peptide Ions Soft-Landed onto Self-Assembled Monolayer Surfaces

    SciTech Connect (OSTI)

    Laskin, Julia; Wang, Peng; Hadjar, Omar; Futrell, Jean H.; Alvarez, Jormarie; Cooks, Robert G.

    2007-08-01

    Soft-landing of singly and doubly protonated peptide ions onto three self-assembled monolayer surfaces (SAMs) was performed using a novel ion deposition instrument constructed in our laboratory and a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) specially designed for studying collisions of large ions with surfaces.. Modified surfaces were analyzed using in situ 2 keV Cs+ secondary ion mass spectrometry or ex situ 15 keV Ga+ time-of-flight secondary ion mass spectrometry (ToF-SIMS). The results demonstrate that a fraction of multiply protonated peptide ions retain more than one proton following soft-landing on the FSAM surface. [M+2H]2+ ions observed in FT-ICR SIMS spectra are produced by desorption of multiply charged ions from the surface, while re-ionization of singly protonated ions or neutral peptides is a source of [M+2H]2+ ions in Tof-SIMS spectra. Differences in neutralization efficiency of soft-landed ions following exposure of surfaces to laboratory air has a measurable effect on the results of ex situ ToF-SIMS analysis of soft-landed ions on SAM surfaces.

  9. Fluorescence enhancement in large-scale self-assembled gold nanoparticle double arrays

    SciTech Connect (OSTI)

    Chekini, M.; Bierwagen, J.; Cunningham, A.; Bürgi, T.; Filter, R.; Rockstuhl, C.

    2015-12-21

    Localized surface plasmon resonances excited in metallic nanoparticles confine and enhance electromagnetic fields at the nanoscale. This is particularly pronounced in dimers made from two closely spaced nanoparticles. When quantum emitters, such as dyes, are placed in the gap of those dimers, their absorption and emission characteristics can be modified. Both processes have to be considered when aiming to enhance the fluorescence from the quantum emitters. This is particularly challenging for dimers, since the electromagnetic properties and the enhanced fluorescence sensitively depend on the distance between the nanoparticles. Here, we use a layer-by-layer method to precisely control the distances in such systems. We consider a dye layer deposited on top of an array of gold nanoparticles or integrated into a central position of a double array of gold nanoparticles. We study the effect of the spatial arrangement and the average distance on the plasmon-enhanced fluorescence. We found a maximum of a 99-fold increase in the fluorescence intensity of the dye layer sandwiched between two gold nanoparticle arrays. The interaction of the dye layer with the plasmonic system also causes a spectral shift in the emission wavelengths and a shortening of the fluorescence life times. Our work paves the way for large-scale, high throughput, and low-cost self-assembled functionalized plasmonic systems that can be used as efficient light sources.

  10. Biomimetic Nanocomposites of Calcium Phosphate and Self-Assembling Triblock and Pentablock Copolymers

    SciTech Connect (OSTI)

    Drew Lenzen Enlow

    2006-08-09

    In an effort to mimic the growth of natural bone, self-assembling, micelle and gel-forming copolymers were used as a template for calcium phosphate precipitation. Because of the cationic characteristics imparted by PDEAEM end group additions to commercially available Pluronic{reg_sign} Fl27, a direct ionic attraction mechanism was utilized and a polymer-brushite nanocomposite spheres were produced. Brushite coated spherical micelles with diameters of {approx}40 nm, and agglomerates of these particles (on the order of 0.5 {mu}m) were obtained. Thickness and durability of the calcium phosphate coating, and the extent of agglomeration were studied. The coating has been shown to be robust enough to retain its integrity even below polymer critical micelle concentration and/or temperature. Calcium phosphate-polymer gel nanocomposites were also prepared. Gel samples appeared as a single phase network of agglomerated spherical micelles, and had a final calcium phosphate concentration of up to 15 wt%. Analysis with x-ray diffraction and NMR indicated a disordered brushite phase with the phosphate groups linking inorganic phase to the polymer.

  11. Morphologically and size uniform monodisperse particles and their shape-directed self-assembly

    DOE Patents [OSTI]

    Collins, Joshua E.; Bell, Howard Y.; Ye, Xingchen; Murray, Christopher Bruce

    2015-11-17

    Monodisperse particles having: a single pure crystalline phase of a rare earth-containing lattice, a uniform three-dimensional size, and a uniform polyhedral morphology are disclosed. Due to their uniform size and shape, the monodisperse particles self assemble into superlattices. The particles may be luminescent particles such as down-converting phosphor particles and up-converting phosphors. The monodisperse particles of the invention have a rare earth-containing lattice which in one embodiment may be an yttrium-containing lattice or in another may be a lanthanide-containing lattice. The monodisperse particles may have different optical properties based on their composition, their size, and/or their morphology (or shape). Also disclosed is a combination of at least two types of monodisperse particles, where each type is a plurality of monodisperse particles having a single pure crystalline phase of a rare earth-containing lattice, a uniform three-dimensional size, and a uniform polyhedral morphology; and where the types of monodisperse particles differ from one another by composition, by size, or by morphology. In a preferred embodiment, the types of monodisperse particles have the same composition but different morphologies. Methods of making and methods of using the monodisperse particles are disclosed.

  12. Mechanisms underlying the active self-assembly of microtubule rings and spools

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    VanDelinder, Virginia; Brener, Stephanie; Bachand, George D.

    2016-02-04

    Here, active self-assembly offers a powerful route for the creation of dynamic multiscale structures that are presently inaccessible with standard microfabrication techniques. One such system uses the translation of microtubule filaments by surface-tethered kinesin to actively assemble nanocomposites with bundle, ring, and spool morphologies. Attempts to observe mechanisms involved in this active assembly system have been hampered by experimental difficulties with performing observation during buffer exchange and photodamage from fluorescent excitation. In the present work, we used a custom microfluidic device to remove these limitations and directly study ring/spool formation, including the earliest events (nucleation) that drive subsequent nanocomposite assembly.more » Three distinct formation events were observed: pinning, collisions, and induced curvature. Of these three, collisions accounted for the majority of event leading to ring/spool formation, while the rate of pinning was shown to be dependent on the amount of photodamage in the system. We further showed that formation mechanism directly affects the diameter and rotation direction of the resultant rings and spools. Overall, the fundamental understanding described in this work provides a foundation by which the properties of motor-driven, actively assembled nanocomposites may be tailored toward specific applications.« less

  13. Dimensional scale effects on surface enhanced Raman scattering efficiency of self-assembled silver nanoparticle clusters

    SciTech Connect (OSTI)

    Fasolato, C.; Domenici, F. E-mail: paolo.postorino@roma1.infn.it; De Angelis, L.; Luongo, F.; Postorino, P. E-mail: paolo.postorino@roma1.infn.it; Sennato, S.; Mura, F.; Costantini, F.; Bordi, F.

    2014-08-18

    A study of the Surface Enhanced Raman Scattering (SERS) from micrometric metallic nanoparticle aggregates is presented. The sample is obtained from the self-assembly on glass slides of micro-clusters of silver nanoparticles (60 and 100 nm diameter), functionalized with the organic molecule 4-aminothiophenol in water solution. For nanoparticle clusters at the micron scale, a maximum enhancement factor of 10{sup 9} is estimated from the SERS over the Raman intensity ratio normalized to the single molecule contribution. Atomic force microscopy, correlated to spatially resolved Raman measurements, allows highlighting the connection between morphology and efficiency of the plasmonic system. The correlation between geometric features and SERS response of the metallic structures reveals a linear trend of the cluster maximum scattered intensity as a function of the surface area of the aggregate. On given clusters, the intensity turns out to be also influenced by the number of stacking planes of the aggregate, thus suggesting a plasmonic waveguide effect. The linear dependence results weakened for the largest area clusters, suggesting 30 μm{sup 2} as the upper limit for exploiting the coherence over large scale of the plasmonic response.

  14. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    defects, mechanical behavior, charge transport, spin dynamics, materials and chemistry by design, optics, synthesis (novel materials), synthesis (self-assembly), synthesis ...

  15. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    and capacitors), electrodes - solar, defects, charge transport, materials and chemistry by design, optics, synthesis (novel materials), synthesis (self-assembly), synthesis ...

  16. Steering the Self-Assembly of Octadecylamine Monolayers on Mica by Controlled Mechanical Energy Transfer from the AFM Tip

    SciTech Connect (OSTI)

    Benitez, J.J.; Heredia-Guerrero, J.A.; Salmeron, M.

    2010-06-24

    We have studied the effect of mechanical energy transfer from the tip of an Atomic Force Microscope on the dynamics of self-assembly of monolayer films of octadecylamine on mica. The formation of the self-assembled film proceeds in two successive stages, the first being a fast adsorption from solution that follows a Langmuir isotherm. The second is a slower process of island growth by aggregation of the molecules dispersed on the surface. We found that the dynamics of aggregation can be altered substantially by the addition of mechanical energy into the system through controlled tip-surface interactions. This leads to either the creation of pinholes in existing islands as a consequence of vacancy concentration, and to the assembly of residual molecules into more compact islands.

  17. Systems and methods for creation of conducting networks of magnetic particles through dynamic self-assembly process

    DOE Patents [OSTI]

    Snezhko, Oleksiy; Aronson, Igor; Kwok, Wai-Kwong

    2011-01-25

    Self-assembly of magnetic microparticles in AC magnetic fields. Excitation of the system by an AC magnetic field provides a variety of patterns that can be controlled by adjusting the frequency and the amplitude of the field. At low particle densities the low-frequency magnetic excitation favors cluster phase formation, while high frequency excitation favors chains and netlike structures. For denser configurations, an abrupt transition to the network phase was obtained.

  18. Laterally Mobile, Functionalized Self-Assembled Monolayers at the Fluorous?Aqueous Interface in a Plug-Based Microfluidic System: Characterization and Testing with Membrane Protein Crystallization

    SciTech Connect (OSTI)

    Kreutz, Jason E.; Li, Liang; Roach, L. Spencer; Hatakeyama, Takuji; Ismagilov, Rustem F.; (UC)

    2009-11-04

    This paper describes a method to generate functionalizable, mobile self-assembled monolayers (SAMs) in plug-based microfluidics. Control of interfaces is advancing studies of biological interfaces, heterogeneous reactions, and nanotechnology. SAMs have been useful for such studies, but they are not laterally mobile. Lipid-based methods, though mobile, are not easily amenable to setting up the hundreds of experiments necessary for crystallization screening. Here we demonstrate a method, complementary to current SAM and lipid methods, for rapidly generating mobile, functionalized SAMs. This method relies on plugs, droplets surrounded by a fluorous carrier fluid, to rapidly explore chemical space. Specifically, we implemented his-tag binding chemistry to design a new fluorinated amphiphile, RfNTA, using an improved one-step synthesis of RfOEG under Mitsunobu conditions. RfNTA introduces specific binding of protein at the fluorous-aqueous interface, which concentrates and orients proteins at the interface, even in the presence of other surfactants. We then applied this approach to the crystallization of a his-tagged membrane protein, Reaction Center from Rhodobacter sphaeroides, performed 2400 crystallization trials, and showed that this approach can increase the range of crystal-producing conditions, the success rate at a given condition, the rate of nucleation, and the quality of the crystal formed.

  19. Growth and self-assembly of BaTiO{sub 3} nanocubes for resistive switching memory cells

    SciTech Connect (OSTI)

    Chu, Dewei, E-mail: D.Chu@unsw.edu.au [School of Materials Science and Engineering, University of New South Wales, Sydney, 2052 NSW (Australia); Lin, Xi; Younis, Adnan [School of Materials Science and Engineering, University of New South Wales, Sydney, 2052 NSW (Australia); Li, Chang Ming [Chongqing Key Lab for Advanced Materials and Clean Energies of Techonologies Dean, Institute for Clean Energy and Advanced Materials, Southwest University, Chongqing (China); Dang, Feng [Research Center for Materials Back Casting Technology (MBT Center), Nagoya University, Nagoya 464-8603 (Japan); Li, Sean [School of Materials Science and Engineering, University of New South Wales, Sydney, 2052 NSW (Australia)

    2014-06-01

    In this work, the self-assembled BaTiO{sub 3} nanocubes based resistive switching memory capacitors are fabricated with hydrothermal and drop-coating approaches. The device exhibits excellent bipolar resistance switching characteristics with ON/OFF ratio of 5870, better reliability and stability over various polycrystalline BaTiO{sub 3} nanostructures. It is believed that the inter cube junctions is responsible for such a switching behaviour and it can be described by the filament model. The effect of film thickness on switching ratio (ON/OFF) was also investigated in details. - Graphical abstract: This work describes a novel resistive switching memory cell based on self-assembled BaTiO{sub 3} nanocubes. - Highlights: BaTiO{sub 3} nanocubes were prepared by one step facile hydrothermal method. Self-assembled BaTiO{sub 3} nanocubes thin films were obtained by drop-coating approach. The BaTiO{sub 3} nanocubes show excellent resistive switching properties for memory applications.

  20. Proton Mediated Chemistry and Catalysis in a Self-Assembled Supramolecular Host

    SciTech Connect (OSTI)

    Pluth, Michael; Bergman, Robert; Raymond, Kenneth

    2009-04-10

    Synthetic supramolecular host assemblies can impart unique reactivity to encapsulated guest molecules. Synthetic host molecules have been developed to carry out complex reactions within their cavities, despite the fact that they lack the type of specifically tailored functional groups normally located in the analogous active sites of enzymes. Over the past decade, the Raymond group has developed a series of self-assembled supramolecules and the Bergman group has developed and studied a number of catalytic transformations. In this Account, we detail recent collaborative work between these two groups, focusing on chemical catalysis stemming from the encapsulation of protonated guests and expanding to acid catalysis in basic solution. We initially investigated the ability of a water-soluble, self-assembled supramolecular host molecule to encapsulate protonated guests in its hydrophobic core. Our study of encapsulated protonated amines revealed rich host-guest chemistry. We established that self-exchange (that is, in-out guest movement) rates of protonated amines were dependent on the steric bulk of the amine rather than its basicity. The host molecule has purely rotational tetrahedral (T) symmetry, so guests with geminal N-methyl groups (and their attendant mirror plane) were effectively desymmetrized; this allowed for the observation and quantification of the barriers for nitrogen inversion followed by bond rotation. Furthermore, small nitrogen heterocycles, such as N-alkylaziridines, N-alkylazetidines, and N-alkylpyrrolidines, were found to be encapsulated as proton-bound homodimers or homotrimers. We further investigated the thermodynamic stabilization of protonated amines, showing that encapsulation makes the amines more basic in the cavity. Encapsulation raises the effective basicity of protonated amines by up to 4.5 pK{sub a} units, a difference almost as large as that between the moderate and strong bases carbonate and hydroxide. The thermodynamic stabilization

  1. Complementary Chemistry and Matched Materials | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Complementary Chemistry and Matched Materials Complementary Chemistry and Matched Materials November 15, 2013 - 1:45pm Addthis DNA linkers allow different kinds of nanoparticles to self-assemble and form relatively large-scale nanocomposite arrays. This approach allows for mixing and matching components for the design of multifunctional materials. | Image courtesy of Brookhaven National Laboratory. DNA linkers allow different kinds of nanoparticles to self-assemble and form relatively

  2. MoS{sub 2} nanotube exfoliation as new synthesis pathway to molybdenum blue

    SciTech Connect (OSTI)

    Visic, B.; Gunde, M. Klanjsek; Kovac, J.; Iskra, I.; Jelenc, J.; Remskar, M.; Centre of Excellence Namaste, Jamova cesta 39, SI-1000 Ljubljana

    2013-02-15

    Graphical abstract: . Display Omitted Highlights: ? New synthesis approach to obtaining molybdenum blue via exfoliated MoS{sub 2} nanotubes. ? Material is prone to self assembly and is stable in high vacuum. ? Molecules are as small as 2 nm and their clusters are up to tens of nanometers. ? Change in absorption and oxidation states from the precursor MoS{sub 2}. -- Abstract: Molybdenum blue-type materials are usually obtained by partially reducing Mo{sup VI+} in acidic solutions, while in the presented method it is formed in ethanol solution of exfoliated MoS{sub 2} nanotubes, where the MoS{sub 2} flakes are the preferential location for their growth. Material was investigated by means of scanning electron and atomic force microscopy, showing the structure and self assembly, while also confirming that it is stable in high vacuum with molecules as small as 1.6 nm and the agglomerates of few tens of nanometres. The ultravioletvisible and photoelectron spectrometry show the change in absorption properties and oxidation states from MoS{sub 2} structure to molybdenum blue, while the presence of sulphur suggests that this is a new type of molybdenum blue material.

  3. New Approach to Room-Temperature Materials Synthesis - Low Cost...

    Office of Science (SC) Website

    transformed to a new material that contained silver. The Science Templates are being exploited to create new materials for solar cells and other energy-producing devices. ...

  4. From Molecular to Macroscopic via the Rational Design of a Self-Assembled 3D DNA Crystal

    SciTech Connect (OSTI)

    Zheng, J.; Birktoft, J; Yi, C; Tong, W; Ruojie, S; Constantinou, P; Ginell, S; Chenge, M; Seeman, N

    2009-01-01

    We live in a macroscopic three-dimensional (3D) world, but our best description of the structure of matter is at the atomic and molecular scale. Understanding the relationship between the two scales requires a bridge from the molecular world to the macroscopic world. Connecting these two domains with atomic precision is a central goal of the natural sciences, but it requires high spatial control of the 3D structure of matter1. The simplest practical route to producing precisely designed 3D macroscopic objects is to form a crystalline arrangement by self-assembly, because such a periodic array has only conceptually simple requirements: a motif that has a robust 3D structure, dominant affinity interactions between parts of the motif when it self-associates, and predictable structures for these affinity interactions. Fulfilling these three criteria to produce a 3D periodic system is not easy, but should readily be achieved with well-structured branched DNA motifs tailed by sticky ends2. Complementary sticky ends associate with each other preferentially and assume the well-known B-DNA structure when they do so3; the helically repeating nature of DNA facilitates the construction of a periodic array. It is essential that the directions of propagation associated with the sticky ends do not share the same plane, but extend to form a 3D arrangement of matter. Here we report the crystal structure at 4?Angstroms resolution of a designed, self-assembled, 3D crystal based on the DNA tensegrity triangle4. The data demonstrate clearly that it is possible to design and self-assemble a well-ordered macromolecular 3D crystalline lattice with precise control.

  5. Synthesis of bulk superhard semiconducting B-C material

    SciTech Connect (OSTI)

    Solozhenko, Vladimir L.; Dubrovinskaia, Natalia A.; Dubrovinsky, Leonid S.

    2004-08-30

    A bulk composite superhard material was synthesized from graphitelike BC{sub 3} at 20 GPa and 2300 K using a multianvil press. The material consists of intergrown boron carbide B{sub 4}C and B-doped diamond with 1.8 at.%B. The material exhibits semiconducting behavior and extreme hardness comparable with that of single-crystal diamond.

  6. Field-structured material media and methods for synthesis thereof

    DOE Patents [OSTI]

    Martin, James E.; Hughes, Robert C.; Anderson, Robert A.

    2001-09-18

    The present application is directed to a new class of composite materials, called field-structured composite (FSC) materials, which comprise a oriented aggregate structure made of magnetic particles suspended in a nonmagnetic medium, and to a new class of processes for their manufacture. FSC materials have much potential for application, including use in chemical, optical, environmental, and mechanical sensors.

  7. Self-assembly of 2D sandwich-structured MnFe{sub 2}O{sub 4}/graphene composites for high-performance lithium storage

    SciTech Connect (OSTI)

    Li, Songmei Wang, Bo; Li, Bin; Liu, Jianhua; Yu, Mei; Wu, Xiaoyu

    2015-01-15

    Highlights: • MFO/GN composites were synthesized by a facile in situ solvothermal approach. • The MFO microspheres are sandwiched between the graphene layers. • Each MFO microsphere is an interstitial cluster of nanoparticles. • The MFO/GN electrode exhibits an enhanced cyclability for Li-ion batteries anodes. - Abstract: In this study, two-dimensional (2D) sandwich-structured MnFe{sub 2}O{sub 4}/graphene (MFO/GN) composites are synthesized by a facile in situ solvothermal approach, using cetyltrimethylammonium bromide (CTAB) as cationic surfactant. As a consequence, the nanocomposites of MFO/GN self-assembled into a 2D sandwich structure, in which the interstitial cluster structure of microsphere-type MnFe{sub 2}O{sub 4} is sandwiched between the graphene layers. This special structure of the MFO/GN composites used as anodes for lithium-ion batteries will be favorable for the maximum accessible surface of electroactive materials, fast diffusion of lithium ions and migration of electron, and elastomeric space to accommodate volume changes during the discharge–charge processes. The as-synthesized MFO/GN composites deliver a high specific reversible capacity of 987.95 mA h g{sup −1} at a current density of 200 mA g{sup −1}, a good capacity retention of 69.27% after 80 cycles and excellent rate performance for lithium storage.

  8. Effects of Dopant Metal Variation and Material Synthesis Method...

    Office of Scientific and Technical Information (OSTI)

    chemistry methods and extended periods of high temperature calcination yield better redox performance. Differences in redox performance between materials made via wet chemistry ...

  9. Synthesis and Engineering Materials Properties of Fluid Phase...

    Office of Scientific and Technical Information (OSTI)

    the engineering materials properties of AB in ... Journal Name: Energy and Fuels; Journal Volume: 29; Journal Issue: 10 Publisher: American Chemical Society (ACS) Research ...

  10. Search for: All records | SciTech Connect

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    thermoelectric, electrodes - solar, defects, charge transport, materials and chemistry by design, optics, synthesis (novel materials), synthesis (self-assembly) (1) Filter ...

  11. Search for: All records | SciTech Connect

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    - solar, defects, charge transport, spin dynamics, membrane, materials and chemistry by design, optics, synthesis (novel materials), synthesis (self-assembly) (4) ...

  12. Search for: All records | SciTech Connect

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    - solar, defects, charge transport, spin dynamics, membrane, materials and chemistry by design, optics, synthesis (novel materials), synthesis (self-assembly) (1) charge ...

  13. Search for: All records | SciTech Connect

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    - solar, defects, charge transport, spin dynamics, membrane, materials and chemistry by design, optics, synthesis (novel materials), synthesis (self-assembly) (2) gain ...

  14. Search for: All records | SciTech Connect

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    hydrogen and fuel cells, electrodes - solar, charge transport, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly) (2) crystal structure (2)...

  15. Search for: All records | SciTech Connect

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    hydrogen and fuel cells, electrodes - solar, charge transport, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly) (3) condensed matter...

  16. Characterization of Photo-Induced Charge Transfer and Hot Carrier...

    Office of Scientific and Technical Information (OSTI)

    phonons, thermal conductivity, electrodes - solar, materials and chemistry by design, optics, synthesis (novel materials), synthesis (self-assembly) Word Cloud More Like This Full...

  17. Systems and methods for the combinatorial synthesis of novel materials

    DOE Patents [OSTI]

    Wu, Xin Di; Wang, Youqi; Goldwasser, Isy

    2000-01-01

    Methods and apparatus for the preparation of a substrate having an array of diverse materials in predefined regions thereon. A substrate having an array of diverse materials thereon is generally prepared by depositing components of target materials to predefined regions on the substrate, and, in some embodiments, simultaneously reacting the components to form at least two resulting materials. In particular, the present invention provides novel masking systems and methods for applying components of target materials onto a substrate in a combinatorial fashion, thus creating arrays of resulting materials that differ slightly in composition, stoichiometry, and/or thickness. Using the novel masking systems of the present invention, components can be delivered to each site in a uniform distribution, or in a gradient of stoichiometries, thicknesses, compositions, etc. Resulting materials which can be prepared using the methods and apparatus of the present invention include, for example, covalent network solids, ionic solids and molecular solids. Once prepared, these resulting materials can be screened sequentially, or in parallel, for useful properties including, for example, electrical, thermal, mechanical, morphological, optical, magnetic, chemical and other properties.

  18. Synthesis, characterization and photocatalytic properties of novel zinc germanate nano-materials

    SciTech Connect (OSTI)

    Boppana, Venkata Bharat Ram; Hould, Nathan D.; Lobo, Raul F.

    2011-05-15

    We report the first instance of a hydrothermal synthesis of zinc germanate (Zn{sub 2}GeO{sub 4}) nano-materials having a variety of morphologies and photochemical properties in surfactant, template and catalyst-free conditions. A systematic variation of synthesis conditions and detailed characterization using X-ray diffraction, ultraviolet-visible diffuse reflectance spectroscopy, Raman spectroscopy, electron microscopy, X-ray photoelectron spectroscopy and small angle X-ray scattering led to a better understanding of the growth of these particles from solution. At 140 {sup o}C, the zinc germanate particle morphology changes with pH from flower-shaped at pH 6.0, to poly-disperse nano-rods at pH 10 when the Zn to Ge ratio in the synthesis solution is 2. When the Zn to Ge ratio is reduced to 1.25, mono-disperse nano-rods could be prepared at pH 7.5. Nanorod formation is also independent of the addition of cetyltrimethylammonium bromide (CTAB), in contrast to previous reports. Photocatalytic tests show that Zn{sub 2}GeO{sub 4} nano-rods (by weight) and flower shaped (by surface area) are the most active for methylene blue dye degradation among the synthesized zinc germanate materials. -- Graphical abstract: Zinc germanate materials were synthesized possessing unique morphologies dependent on the hydrothermal synthesis conditions in the absence of surfactant, catalyst or template. These novel materials are characterized and evaluated for their photocatalytic activities. Display Omitted highlights: > Zinc germanate synthesized hydrothermally (surfactant free) with unique morphologies. > Flower-shaped, nano-rods, globular particles obtained dependent on synthesis pH. > At 140 {sup o}C, they possess the rhombohedral crystal irrespective of synthesis conditions. > They are photocatalytically active for the degradation of methylene blue. > Potential applications could be photocatalytic water splitting and CO{sub 2} reduction.

  19. Self-assembled two-dimensional nanoporous molecular arrays and photoinduced polymerization of 4-bromo-4′-hydroxybiphenyl on Ag(111)

    SciTech Connect (OSTI)

    Shen, Qian; He, Jing Hui; Zhang, Jia Lin; Wu, Kai; Xu, Guo Qin; Wee, Andrew Thye Shen; Chen, Wei

    2015-03-14

    Self-assembled two-dimensional molecular arrays and photoinduced polymerization of 4-bromo-4′-hydroxybiphenyl on Ag(111) were studied using low-temperature scanning tunneling microscopy combined with density functional theory calculations. Square-like self-assembled structures of 4-bromo-4′-hydroxybiphenyl stabilized by intermolecular hydrogen and halogen bonds were transformed into hexagonal nanopores of biphenyl biradicals by 266 nm UV laser irradiation at 80 K. The biradicals further coupled to each other and formed covalently linked polyphenylene polymer chains at room temperature.

  20. Synthesis of Two-Dimensional Materials for Capacitive Energy Storage

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Mendoza-Sánchez, Beatriz; Gogotsi, Yury

    2016-06-02

    The unique properties and great variety of two-dimensional (2D) nanomaterials make them highly attractive for energy storage applications. Here, an insight into the progress made towards the application of 2D nanomaterials for capacitive energy storage is provided. Moreover, synthesis methods, and electrochemical performance of various classes of 2D nanomaterials, particularly based on graphene, transition metal oxides, dichalcogenides, and carbides, are presented. Some factors that directly influence capacitive performance are discussed throughout the text and include nanosheet composition, morphology and texture, electrode architecture, and device configuration. Recent progress in the fabrication of 2D-nanomaterials-based microsupercapacitors and flexible and free-standing supercapacitors is presented.more » The main electrode manufacturing techniques with emphasis on scalability and cost-effectiveness are discussed, and include laser scribing, printing, and roll-to-roll manufacture. Some various issues that prevent the use of the full energy-storage potential of 2D nanomaterials and how they have been tackled are discussed, and include nanosheet aggregation and the low electrical conductivity of some 2D nanomaterials. In particular, the design of hybrid and hierarchical 2D and 3D structures based on 2D nanomaterials is presented. Other challenges and opportunities are discussed and include: control of nanosheets size and thickness, chemical and electrochemical instability, and scale-up of electrode films.« less

  1. Highly Flexible Self-Assembled V2O5 Cathodes Enabled by Conducting Diblock Copolymers

    SciTech Connect (OSTI)

    An, Hyosung; Mike, Jared; Smith, Kendall A.; Swank, Lisa; Lin, Yen-Hao; L. Pesek, Stacy; Verduzco, Rafael; Lutkenhaus, Jodie L.

    2015-09-22

    Mechanically robust battery electrodes are desired for applications in wearable devices, flexible displays, and structural energy and power. In this regard, the challenge is to balance mechanical and electrochemical properties in materials that are inherently brittle. Here, we demonstrate a unique water-based self-assembly approach that incorporates a diblock copolymer bearing electron- and ion-conducting blocks, poly(3-hexylthiophene)-block-poly(ethyleneoxide) (P3HT-b-PEO), with V2O5 to form a flexible, tough, carbon-free hybrid battery cathode. V2O5 is a promising lithium intercalation material, but it remains limited by its poor conductivity and mechanical properties. Our approach leads to a unique electrode structure consisting of interlocking V2O5 layers glued together with micellar aggregates of P3HT-b-PEO, which results in robust mechanical properties, far exceeding the those obtained from conventional fluoropolymer binders. Only 5 wt % polymer is required to triple the flexibility of V2O5, and electrodes comprised of 10 wt % polymer have unusually high toughness (293 kJ/m3) and specific energy (530 Wh/kg), both higher than reduced graphene oxide paper electrodes. Furthermore, addition of P3HT-b-PEO enhances lithium-ion diffusion, eliminates cracking during cycling, and boosts cyclability relative to V2O5 alone. These results highlight the importance of tradeoffs between mechanical and electrochemical performance, where polymer content can be used to tune both aspects.

  2. Fabrication of FCC-SiO{sub 2} colloidal crystals using the vertical convective self-assemble method

    SciTech Connect (OSTI)

    Castaeda-Uribe, O. A.; Salcedo-Reyes, J. C.; Mndez-Pinzn, H. A.; Pedroza-Rodrguez, A. M.

    2014-05-15

    In order to determine the optimal conditions for the growth of high-quality 250 nm-SiO{sub 2} colloidal crystals by the vertical convective self-assemble method, the Design of Experiments (DoE) methodology is applied. The influence of the evaporation temperature, the volume fraction, and the pH of the colloidal suspension is studied by means of an analysis of variance (ANOVA) in a 3{sup 3} factorial design. Characteristics of the stacking lattice of the resulting colloidal crystals are determined by scanning electron microscopy and angle-resolved transmittance spectroscopy. Quantitative results from the statistical test show that the temperature is the most critical factor influencing the quality of the colloidal crystal, obtaining highly ordered structures with FCC stacking lattice at a growth temperature of 40C.

  3. Structural engineering of epitaxial, self-assembled ferromagnetic cobalt/yttria-stabilized zirconia nanocomposites for ultrahigh-density storage media

    SciTech Connect (OSTI)

    Shin, Junsoo; Goyal, Amit; Cantoni, Claudia; Sinclair, J.; Thompson, James R

    2012-01-01

    We report on a low-cost, innovative approach for synthesizing prepatterned, magnetic nanostructures, the shapes and dimensions of which can be easily tuned to meet requirements for next-generation data storage technology. The magnetic nanostructures consist of self-assembled Co nanodots and nanowires embedded in yttria-stabilized zirconia (YSZ) matrices. The controllable size and aspect ratio of the nanostructures allows the selection of morphologies ranging from nanodots to nanowires. Co nanowires show strong shape anisotropy and large remanence at 300 K. In contrast, Co nanodots display minimal effects of magnetocrystalline anisotropy and superparamagnetic relaxation above the blocking temperature. These prepatterned magnetic nanostructures are very promising candidates for data storage technology with an ultrahigh density of 1 terabit in{sup -2} or higher.

  4. Gate-controlled terahertz single electron photovoltaic effect in self-assembled InAs quantum dots

    SciTech Connect (OSTI)

    Zhang, Y. Nagai, N.; Shibata, K.; Hirakawa, K.; Ndebeka-Bandou, C.; Bastard, G.

    2015-09-07

    We have observed a terahertz (THz) induced single electron photovoltaic effect in self-assembled InAs quantum dots (QDs). We used a single electron transistor (SET) geometry that consists of a single InAs QD and nanogap electrodes coupled with a bowtie antenna. Under a weak, broadband THz radiation, a photocurrent induced by THz intersublevel transitions in the QD is generated even when no bias voltage is applied to the SET. The observed single electron photovoltaic effect is due to an energy-dependent tunneling asymmetry in the QD-SET. Moreover, the tunneling asymmetry changes not only with the shell but also with the electron number in the QD, suggesting the manybody nature of the electron wavefunctions. The THz photovoltaic effect observed in the present QD-SET system may have potential applications to nanoscale energy harvesting.

  5. CdSe self-assembled quantum dots with ZnCdMgSe barriers emitting throughout the visible spectrum

    SciTech Connect (OSTI)

    Perez-Paz, M. Noemi; Zhou Xuecong; Munoz, Martin; Lu Hong; Sohel, Mohammad; Tamargo, Maria C.; Jean-Mary, Fleumingue; Akins, Daniel L.

    2004-12-27

    Self-assembled quantum dots of CdSe with ZnCdMgSe barriers have been grown by molecular beam epitaxy on InP substrates. The optical and microstructural properties were investigated using photoluminescence (PL) and atomic force microscopy (AFM) measurements. Control and reproducibility of the quantum dot (QD) size leading to light emission throughout the entire visible spectrum range has been obtained by varying the CdSe deposition time. Longer CdSe deposition times result in a redshift of the PL peaks as a consequence of an increase of QD size. AFM studies demonstrate the presence of QDs in uncapped structures. A comparison of this QD system with CdSe/ZnSe shows that not only the strain but also the chemical properties of the system play an important role in QD formation.

  6. A Ferrocene-Based Catecholamide Ligand: the Consequences of Ligand Swivel for Directed Supramolecular Self-Assembly

    SciTech Connect (OSTI)

    Mugridge, Jeffrey; Fiedler, Dorothea; Raymond, Kenneth

    2010-02-04

    A ferrocene-based biscatecholamide ligand was prepared and investigated for the formation of metal-ligand supramolecular assemblies with different metals. Reaction with Ge(IV) resulted in the formation of a variety of Ge{sub n}L{sub m} coordination complexes, including [Ge{sub 2}L{sub 3}]{sup 4-} and [Ge{sub 2}L{sub 2}({mu}-OMe){sub 2}]{sup 2-}. The ligand's ability to swivel about the ferrocenyl linker and adopt different conformations accounts for formation of many different Ge{sub n}L{sub m} species. This study demonstrates why conformational ligand rigidity is essential in the rational design and directed self-assembly of supramolecular complexes.

  7. Energy level alignment of self-assembled linear chains of benzenediamine on Au(111) from first principles

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Li, Guo; Rangel, Tonatiuh; Liu, Zhen -Fei; Cooper, Valentino R.; Neaton, Jeffrey B.

    2016-03-24

    Using density functional theory (DFT) with van der Waals functionals, we calculate the adsorption energetics and geometry of benzenediamine (BDA) molecules on Au(111) surfaces. Our results demonstrate that the reported self-assembled linear chain structure of BDA, stabilized via hydrogen bonds between amine groups, is energetically favored over previously-studied monomeric phases. Moreover, using a model based on many-body perturbation theory within the GW approximation, we obtain approximate self-energy corrections to the DFT highest occupied molecular orbital (HOMO) energy associated with BDA adsorbate phases. As a result, we find that, independent of coverage, the HOMO energy of the linear chain phase ismore » lower relative to the Fermi energy than that of the monomer phase, and in good agreement with values measured with ultraviolet photoelectron spectroscopy and X-ray photoelectron spectroscopy.« less

  8. Self-assembly and photoluminescence evolution of hydrophilic and hydrophobic quantum dots in sol–gel processes

    SciTech Connect (OSTI)

    Yang, Ping; Matras-Postolek, Katarzyna; Song, Xueling; Zheng, Yan; Liu, Yumeng; Ding, Kun; Nie, Shijie

    2015-10-15

    Graphical abstract: Highly luminescent quantum dots (QDs) with tunable photoluminescence (PL) wavelength were assembled into various morphologies including chain, hollow spheres, fibers, and ring structures through sol–gel processes. The PL properties during assembly as investigated. - Highlights: • Highly luminescent quantum dots (QDs) were synthesized from several ligands. • The evolution of PL in self-assembly via sol–gel processes was investigated. • CdTe QDs were assembled into a chain by controlling hydrolysis and condensation reactions. • Hollow spheres, fibers, and ring structures were created via CdSe/ZnS QDs in sol–gel processes. - Abstract: Highly luminescent quantum dots (QDs) with tunable photoluminescence (PL) wavelength were synthesized from several ligands to investigate the PL evolution in QD self-assembly via sol–gel processes. After ligand exchange, CdTe QDs were assembled into a chain by controlling the hydrolysis and condensation reaction of 3-mercaptopropyl-trimethoxysilane. The chain was then coated with a SiO{sub 2} shell from tetraethyl orthosilicate (TEOS). Hollow spheres, fibers, and ring structures were created from CdSe/ZnS QDs via various sol–gel processes. CdTe QDs revealed red-shifted and narrowed PL spectrum after assembly compared with their initial one. In contrast, the red-shift of PL spectra of CdSe/ZnS QDs is small. By optimizing experimental conditions, SiO{sub 2} spheres with multiple CdSe/ZnS QDs were fabricated using TEOS and MPS. The QDs in these SiO{sub 2} spheres retained their initial PL properties. This result is useful for application because of their high stability and high PL efficiency of 33%.

  9. Self-Assembled Monolayers of n-Alkanethiols Suppress Hydrogen Evolution and Increase the Efficiency of Rechargeable Iron Battery Electrodes

    SciTech Connect (OSTI)

    Malkhandi, S; Yang, B; Manohar, AK; Prakash, GKS; Narayanan, SR

    2013-01-09

    Iron-based rechargeable batteries, because of their low cost, eco-friendliness, and durability, are extremely attractive for large-scale energy storage. A principal challenge in the deployment of these batteries is their relatively low electrical efficiency. The low efficiency is due to parasitic hydrogen evolution that occurs on the iron electrode during charging and idle stand. In this study, we demonstrate for the first time that linear alkanethiols are very effective in suppressing hydrogen evolution on alkaline iron battery electrodes. The alkanethiols form self-assembled monolayers on the iron electrodes. The degree of suppression of hydrogen evolution by the alkanethiols was found to be greater than 90%, and the effectiveness of the alkanethiol increased with the chain length. Through steady-state potentiostatic polarization studies and impedance measurements on high-purity iron disk electrodes, we show that the self-assembly of alkanethiols suppressed the parasitic reaction by reducing the interfacial area available for the electrochemical reaction. We have modeled the effect of chain length of the alkanethiol on the surface coverage, charge-transfer resistance, and double-layer capacitance of the interface using a simple model that also yields a value for the interchain interaction energy. We have verified the improvement in charging efficiency resulting from the use of the alkanethiols in practical rechargeable iron battery electrodes. The results of battery tests indicate that alkanethiols yield among the highest faradaic efficiencies reported for the rechargeable iron electrodes, enabling the prospect of a large-scale energy storage solution based on low-cost iron-based rechargeable batteries.

  10. Geek-Up[1.21.2011]: Bio-Prospecting and Self-Assembling Nano Ropes

    Office of Energy Efficiency and Renewable Energy (EERE)

    Find out why one graduate student is searching for the most stressed-out algaes and how synthetic, nanoscale ropes can mimic the function of biological materials.

  11. Containerless synthesis of amorphous and nanophase organic materials

    DOE Patents [OSTI]

    Benmore, Chris J.; Weber, Johann R.

    2016-05-03

    The invention provides a method for producing a mixture of amorphous compounds, the method comprising supplying a solution containing the compounds; and allowing at least a portion of the solvent of the solution to evaporate while preventing the solute of the solution from contacting a nucleation point. Also provided is a method for transforming solids to amorphous material, the method comprising heating the solids in an environment to form a melt, wherein the environment contains no nucleation points; and cooling the melt in the environment.

  12. "Bottom-up" meets "top-down" : self-assembly to direct manipulation of nanostructures on length scales from atoms to microns.

    SciTech Connect (OSTI)

    Swartzentruber, Brian Shoemaker

    2009-04-01

    This document is the final SAND Report for the LDRD Project 102660 - 'Bottomup' meets 'top-down': Self-assembly to direct manipulation of nanostructures on length scales from atoms to microns - funded through the Strategic Partnerships investment area as part of the National Institute for Nano-Engineering (NINE) project.

  13. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    membrane, synthesis (novel materials), synthesis (self-assembly) (2) hydrogen (1) solar energy solar energy, water splitting, hydrogen evolution, man-made proteins (1)...

  14. Metal-oxide-based energetic materials and synthesis thereof

    DOE Patents [OSTI]

    Tillotson, Thomas M. , Simpson; Randall L.; Hrubesh, Lawrence W.

    2006-01-17

    A method of preparing energetic metal-oxide-based energetic materials using sol-gel chemistry has been invented. The wet chemical sol-gel processing provides an improvement in both safety and performance. Essentially, a metal-oxide oxidizer skeletal structure is prepared from hydrolyzable metals (metal salts or metal alkoxides) with fuel added to the sol prior to gelation or synthesized within the porosity metal-oxide gel matrix. With metal salt precursors a proton scavenger is used to destabilize the sol and induce gelation. With metal alkoxide precursors standard well-known sol-gel hydrolysis and condensation reactions are used. Drying is done by standard sol-gel practices, either by a slow evaporation of the liquid residing within the pores to produce a high density solid nanocomposite, or by supercritical extraction to produce a lower density, high porous nanocomposite. Other ingredients may be added to this basic nanostructure to change physical and chemical properties, which include organic constituents for binders or gas generators during reactions, burn rate modifiers, or spectral emitters.

  15. Encapsulation of nanoclusters in dried gel materials via an inverse micelle/sol gel synthesis

    DOE Patents [OSTI]

    Martino, Anthony; Yamanaka, Stacey A.; Kawola, Jeffrey S.; Showalter, Steven K.; Loy, Douglas A.

    1998-01-01

    A dried gel material sterically entrapping nanoclusters of a catalytically active material and a process to make the material via an inverse micelle/sol-gel synthesis. A surfactant is mixed with an apolar solvent to form an inverse micelle solution. A salt of a catalytically active material, such as gold chloride, is added along with a silica gel precursor to the solution to form a mixture. To the mixture are then added a reducing agent for the purpose of reducing the gold in the gold chloride to atomic gold to form the nanoclusters and a condensing agent to form the gel which sterically entraps the nanoclusters. The nanoclusters are normally in the average size range of from 5-10 nm in diameter with a monodisperse size distribution.

  16. Encapsulation of nanoclusters in dried gel materials via an inverse micelle/sol gel synthesis

    DOE Patents [OSTI]

    Martino, A.; Yamanaka, S.A.; Kawola, J.S.; Showalter, S.K.; Loy, D.A.

    1998-09-29

    A dried gel material sterically entrapping nanoclusters of a catalytically active material and a process to make the material via an inverse micelle/sol-gel synthesis are disclosed. A surfactant is mixed with an apolar solvent to form an inverse micelle solution. A salt of a catalytically active material, such as gold chloride, is added along with a silica gel precursor to the solution to form a mixture. To the mixture are then added a reducing agent for the purpose of reducing the gold in the gold chloride to atomic gold to form the nanoclusters and a condensing agent to form the gel which sterically entraps the nanoclusters. The nanoclusters are normally in the average size range of from 5--10 nm in diameter with a monodisperse size distribution. 1 fig.

  17. Highly ordered nanocomposites via a monomer self-assembly in situ condensation approach

    DOE Patents [OSTI]

    Gin, Douglas L.; Fischer, Walter M.; Gray, David H.; Smith, Ryan C.

    1998-01-01

    A method for synthesizing composites with architectural control on the nanometer scale is described. A polymerizable lyotropic liquid-crystalline monomer is used to form an inverse hexagonal phase in the presence of a second polymer precursor solution. The monomer system acts as an organic template, providing the underlying matrix and order of the composite system. Polymerization of the template in the presence of an optional cross-linking agent with retention of the liquid-crystalline order is carried out followed by a second polymerization of the second polymer precursor within the channels of the polymer template to provide an ordered nanocomposite material.

  18. Highly ordered nanocomposites via a monomer self-assembly in situ condensation approach

    DOE Patents [OSTI]

    Gin, D.L.; Fischer, W.M.; Gray, D.H.; Smith, R.C.

    1998-12-15

    A method for synthesizing composites with architectural control on the nanometer scale is described. A polymerizable lyotropic liquid-crystalline monomer is used to form an inverse hexagonal phase in the presence of a second polymer precursor solution. The monomer system acts as an organic template, providing the underlying matrix and order of the composite system. Polymerization of the template in the presence of an optional cross-linking agent with retention of the liquid-crystalline order is carried out followed by a second polymerization of the second polymer precursor within the channels of the polymer template to provide an ordered nanocomposite material. 13 figs.

  19. Encapsulation and Characterization of Proton-Bound Amine Homodimers in a Water Soluble, Self-Assembled Supramolecular Host

    SciTech Connect (OSTI)

    Pluth, Michael; Fiedler, Dorothea; Mugridge, Jeffrey; Bergman, Robert; Raymond, Kenneth

    2008-10-01

    Cyclic amines can be encapsulated in a water-soluble self-assembled supramolecular host upon protonation. The hydrogen bonding ability of the cyclic amines, as well as the reduced degrees of rotational freedom, allows for the formation of proton-bound homodimers inside of the assembly which are otherwise not observable in aqueous solution. The generality of homodimer formation was explored with small N-alkyl aziridines, azetidines, pyrrolidines and piperidines. Proton-bound homodimer formation is observed for N-alkylaziridines (R = methyl, isopropyl, tert-butyl), N-alkylazetidines (R = isopropyl, tertbutyl), and N-methylpyrrolidine. At high concentration, formation of a proton-bound homotrimer is observed in the case of N-methylaziridine. The homodimers stay intact inside the assembly over a large concentration range, thereby suggesting cooperative encapsulation. Both G3(MP2)B3 and G3B3 calculations of the proton-bound homodimers were used to investigate the enthalpy of the hydrogen bond in the proton-bound homodimers and suggest that the enthalpic gain upon formation of the proton-bound homodimers may drive guest encapsulation.

  20. Interfacial interaction of in situ Cu growth on tetrasulfide self-assembled monolayer on plasma treated parylene surface

    SciTech Connect (OSTI)

    Pimanpang, S.; Wang, Pei-I; Juneja, Jasbir S.; Wang, G.-C.; Lu, T.-M.

    2006-09-15

    The interfacial reactions of in situ grown Cu and functionalized parylene surfaces were examined using the x-ray photoelectron spectroscopy (XPS). It is observed that bis[3(triethoxysilane)propyl]tetrasulfide (tetrasulfide) forms a self-assembled monolayer (SAM) only on a parylene surface treated with either He plasma or N{sub 2} plasma, but not on the as-deposited parylene surface due to its lack of functional groups. The functional groups on the plasma treated parylene surface facilitate the formation of tetrasulfide SAM that subsequently improves the reactivity of parylene to Cu. The XPS spectra show a strong shift ({approx}1.1 eV) of the S 2p peaks from a higher binding energy to a lower binding energy, which suggests the existence of an interaction between sulfide and Cu. In addition, the result of a higher XPS intensity ratio of Cu 2p{sub 3/2}/C 1s for Cu growth on tetrasulfide SAM/plasma treated parylene surface than that of an as-deposited parylene surface indicates that the formation of tetrasulfide moiety (-SSSS-) on functionalized parylene surface leads to the increase of Cu growth rate.

  1. Full membrane spanning self-assembled monolayers as model systems for UHV-based studies of cell-penetrating peptides

    SciTech Connect (OSTI)

    Franz, Johannes; Graham, Daniel J.; Baio, Joe E.; Lelle, Marco; Peneva, Kalina; Müllen, Klaus; Castner, David G.; Weidner, Tobias

    2015-03-01

    Biophysical studies of the interaction of peptides with model membranes provide a simple yet effective approach to understand the transport of peptides and peptide based drug carriers across the cell membrane. Therein, the authors discuss the use of self-assembled monolayers fabricated from the full membrane-spanning thiol (FMST) 3-((14-((4'-((5-methyl-1-phenyl-35-(phytanyl)oxy-6,9,12,15,18,21,24,27,30,33,37-undecaoxa-2,3-dithiahenpentacontan-51-yl)oxy)-[1,1'-biphenyl]-4-yl)oxy)tetradecyl)oxy)-2-(phytanyl)oxy glycerol for ultrahigh vacuum (UHV) based experiments. UHV-based methods such as electron spectroscopy and mass spectrometry can provide important information about how peptides bind and interact with membranes, especially with the hydrophobic core of a lipid bilayer. Moreover, near-edge x-ray absorption fine structure spectra and x-ray photoelectron spectroscopy (XPS) data showed that FMST forms UHV-stable and ordered films on gold. XPS and time of flight secondary ion mass spectrometry depth profiles indicated that a proline-rich amphipathic cell-penetrating peptide, known as sweet arrow peptide is located at the outer perimeter of the model membrane.

  2. Excitation spectra of photoluminescence and its kinetics in structures with self-assembled Ge:Si nanoislands

    SciTech Connect (OSTI)

    Yablonskiy, A. N. Baidakova, N. A. Novikov, A. V.; Lobanov, D. N.; Shaleev, M. V.

    2015-11-15

    The spectral and time characteristics of photoluminescence associated with the radiative recombination of charge carriers in SiGe/Si(001) multilayer structures with self-assembled Ge:Si islands are investigated. The time dependences of the photoluminescence of Ge:Si islands in a wide range of delay times after the pump pulse are considered at various optical-excitation levels. The photoluminescence-excitation spectra from Ge(Si) islands in the SiGe/Si(001) structures are investigated in the region of band-to-band and subband optical pumping corresponding to various time components in the photoluminescence-relaxation kinetics. A significant difference in the shape of the excitation spectra is revealed for fast (0–100 μs) and slow (100 μs–50 ms) components of the photoluminescence signal from the islands. The significant dependence of the photoluminescence-excitation spectra of Ge(Si)/Si(001) islands on the optical-pump power is shown to be associated with the prolonged diffusion of nonequilibrium charge carriers from bulk-silicon layers to Ge:Si islands at high excitation levels.

  3. Synthesis and characterization of tunable coumarin- linked glasses as new class of organic/inorganic phosphors

    SciTech Connect (OSTI)

    Luridiana, Alberto; Pretta, Gianluca; Secci, Francesco; Frongia, Angelo; Chiriu, Daniele; Carbonaro, Carlo Maria; Corpino, Riccardo; Ricci, Pier Carlo

    2014-10-21

    It is well known that stilbene with a trans conformation is highly fluorescent. From the viewpoint of molecular structure, coumarins bear a carbon-carbon double bond which is fixed as trans conformation as in trans-stilbene through a lactone structure. This can help to avoid the trans-cis transformation of the double bond under ultraviolet (UV) irradiation as observed in stilbene compounds and results in strong fluorescence and high fluorescence quantum yield and photostability in most of coumarin derivatives. Herein we report some preliminary results about the synthesis and spectroscopic characterization of tunable coumarins and the development of a new linkage protocol for the obtainment of monolayer coumarin-covalently linked glasses. The resulting organic/inorganic coumarin/silica based Self-Assembled Monolayer (SMA) film is proposed as new phosphors for the substituting of critical raw materials, like rare earths, in photonics applications.

  4. Self-assembly of highly ordered conjugated polymer aggregates with long-range energytransfer

    SciTech Connect (OSTI)

    Vogelsang, Jan; Adachi, Takuji; Brazard, Johanna; Vanden Bout, David A.; Barbara, Paul F.

    2011-10-09

    Applications of conjugated polymers (CP) in organic electronic devices such as light-emitting diodes (LED) and solar cells depend on the way of electronic energy conveyance in these materials. Single-molecule spectroscopy has uncovered fundamental properties with molecular detail and current reports propose that energy transport in single CP chains extend over unusually extensive distances up to 75 nm (refs 13,15, 16). An significant question is whether these characteristics occur when CP chains agglomerate into a neat solid. In these experiments, we demonstrate that the electronic energy transport in masses composed of tens of polymer chains takes place on a comparable distance scale as that in single chains. These findings offer a new insight into the ordering of single CP chains and which the progression of their morphological and optoelectronic properties can be observed; this will ultimately enable the design of improved CP-based devices.

  5. Current-voltage characteristics of layer-by-layer self-assembled colloidal thin films

    SciTech Connect (OSTI)

    Jafri, S. H. M.; Dutta, J.; Sweatman, D.; Sharma, A. B.

    2006-09-25

    Self-organized construction of advanced materials and devices has been carried out starting with tailor-made colloidal nanoparticles as building blocks. Multilayer thin films of gold nanoparticles stabilized by glutamates and zinc sulfide nanoparticles capped with chitosan were self-organized by a modified polyelectrolyte deposition process. Resistive current-voltage characteristic was observed in devices (less than 50 layers). The conduction onset in thicker devices (>50 layers) was found to be at applied voltages of {approx}1.6, {approx}1.94, and {approx}2.79 V for 75, 100, and 150 layer structures, respectively. Devices exhibit similar behavior in forward and reverse biases and the electrical characteristics were repeatable.

  6. Self-Assembly of Hexanuclear Clusters of 4f and 5f Elements with Cation Specificity

    SciTech Connect (OSTI)

    Diwu, J.; Good, Justin J.; DiStefano, Victoria H.; Albrecht-Schmitt, Thomas E.

    2011-02-10

    Six hexanuclear clusters of 4f and 5f elements were synthesized by room-temperature slow concentration experiments. Cerium(IV), thorium(IV), and plutonium(IV) each form two different hexanuclear clusters, among which the cerium and plutonium clusters are isotypic, whereas the thorium clusters show more diversity. The change in ionic radii of approximately 0.08 Å between these different metal ions tunes the cavity size so that NH{sub 4}{sup +} (1.48 Å) has the right dimensions to assemble the cerium and plutonium clusters, whereas Cs{sup +} (1.69 Å) is necessary to assemble the thorium clusters. If these cations are not used in the reactions, only amorphous material is obtained.

  7. Synthesis and Engineering Materials Properties of Fluid Phase Chemical Hydrogen Storage Materials for Automotive Applications

    SciTech Connect (OSTI)

    Choi, Young Joon; Westman, Matthew P.; Karkamkar, Abhijeet J.; Chun, Jaehun; Ronnebro, Ewa

    2015-09-01

    Among candidates for chemical hydrogen storage in PEM fuel cell automotive applications, ammonia borane (AB, NH3BH3) is considered to be one of the most promising materials due to its high practical hydrogen content of 14-16 wt%. This material is selected as a surrogate chemical for a hydrogen storage system. For easier transition to the existing infrastructure, a fluid phase hydrogen storage material is very attractive and thus, we investigated the engineering materials properties of AB in liquid carriers for a chemical hydrogen storage slurry system. Slurries composed of AB and high temperature liquids were prepared by mechanical milling and sonication in order to obtain stable and fluidic properties. Volumetric gas burette system was adopted to observe the kinetics of the H2 release reactions of the AB slurry and neat AB. Viscometry and microscopy were employed to further characterize slurries engineering properties. Using a tip-sonication method we have produced AB/silicone fluid slurries at solid loadings up to 40wt% (6.5wt% H2) with viscosities less than 500cP at 25°C.

  8. Structural diversity in binary superlattices self-assembled from polymer-grafted nanocrystals

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ye, Xingchen; Zhu, Chenhui; Ercius, Peter; Raja, Shilpa N.; He, Bo; Jones, Matthew R.; Hauwiller, Matthew R.; Liu, Yi; Xu, Ting; Alivisatos, A. Paul

    2015-12-02

    Multicomponent nanocrystal superlattices represent an interesting class of material that derives emergent properties from mesoscale structure, yet their programmability can be limited by the alkyl-chain-based ligands decorating the surfaces of the constituent nanocrystals. Polymeric ligands offer distinct advantages, as they allow for more precise tuning of the effective size and ‘interaction softness’ through changes to the polymer’s molecular weight, chemical nature, architecture, persistence length and surrounding solvent. Here we show the formation of 10 different binary nanocrystal superlattices (BNSLs) with both two- and three-dimensional order through independent adjustment of the core size of spherical nanocrystals and the molecular weight ofmore » densely grafted polystyrene ligands. These polymer-brush-based ligands introduce new energetic contributions to the interparticle potential that stabilizes various BNSL phases across a range of length scales and interparticle spacings. In conclusion, our study opens the door for nanocrystals to become modular elements in the design of functional particle brush solids with controlled nanoscale interfaces and mesostructures.« less

  9. Structural diversity in binary superlattices self-assembled from polymer-grafted nanocrystals

    SciTech Connect (OSTI)

    Ye, Xingchen; Zhu, Chenhui; Ercius, Peter; Raja, Shilpa N.; He, Bo; Jones, Matthew R.; Hauwiller, Matthew R.; Liu, Yi; Xu, Ting; Alivisatos, A. Paul

    2015-12-02

    Multicomponent nanocrystal superlattices represent an interesting class of material that derives emergent properties from mesoscale structure, yet their programmability can be limited by the alkyl-chain-based ligands decorating the surfaces of the constituent nanocrystals. Polymeric ligands offer distinct advantages, as they allow for more precise tuning of the effective size and ‘interaction softness’ through changes to the polymer’s molecular weight, chemical nature, architecture, persistence length and surrounding solvent. Here we show the formation of 10 different binary nanocrystal superlattices (BNSLs) with both two- and three-dimensional order through independent adjustment of the core size of spherical nanocrystals and the molecular weight of densely grafted polystyrene ligands. These polymer-brush-based ligands introduce new energetic contributions to the interparticle potential that stabilizes various BNSL phases across a range of length scales and interparticle spacings. In conclusion, our study opens the door for nanocrystals to become modular elements in the design of functional particle brush solids with controlled nanoscale interfaces and mesostructures.

  10. Self-assembled Ag nanoparticle network passivated by a nano-sized ZnO layer for transparent and flexible film heaters

    SciTech Connect (OSTI)

    Seo, Ki-Won; Kim, Han-Ki; Kim, Min-Yi; Chang, Hyo-Sik

    2015-12-15

    We investigated a self-assembled Ag nanoparticle network electrode passivated by a nano-sized ZnO layer for use in high-performance transparent and flexible film heaters (TFFHs). The low temperature atomic layer deposition of a nano-sized ZnO layer effectively filled the uncovered area of Ag network and improved the current spreading in the self-assembled Ag network without a change in the sheet resistance and optical transmittance as well as mechanical flexibility. The time-temperature profiles and heat distribution analysis demonstrate that the performance of the TFTH with the ZnO/Ag network is superior to that of a TFFH with Ag nanowire electrodes. In addition, the TFTHs with ZnO/Ag network exhibited better stability than the TFFH with a bare Ag network due to the effective current spreading through the nano-sized ZnO layer.

  11. Self-Assembling Sup-porosity: The Effect On Fluid Flow And Seismic Wave Propagation

    SciTech Connect (OSTI)

    Pyrak-Nolte, Laura J.

    2013-04-27

    Fractures and joints in the field often contain debris within the void spaces. Debris originates from many different mechanisms: organic and/or inorganic chemical reactions/mineralization, sediment transport, formation of a fracture, mechanical weathering or combinations of these processes. In many cases, the presence of debris forms a “sub-porosity” within the fracture void space. This sub-porosity often is composed of material that differs from the fracture walls in mineralogy and morphology. The “sub-porosity” may partially fill voids that are on the order of hundreds of microns and thereby reduce the local porosity to lengths scales on the order of sub-microns to tens of microns. It is quite clear that a sub-porosity affects fracture porosity, permeability and storativity. What is not known is how the existence/formation of a sub-porosity affects seismic wave propagation and consequently our ability to probe changes in the subsurface caused by the formation or alteration of a sub-porosity. If seismic techniques are to be developed to monitor the injection and containment of phases in sequestration reservoirs or the propping of hydraulically induced fracture to enhance oil & gas production, it is important to understand how a sub-porosity within a fracture affects macroscopic seismic and hydraulic measurements. A sub-porosity will directly affect the interrelationship between the seismic and hydraulic properties of a fracture. This reports contains the results of the three main topics of research that were performed (1) to determine the effect of a sub-porosity composed of spherical grains on seismic wave propagation across fractures, (2) to determine the effect of biofilm growth in pores and between grains on seismic wave propagation in sediment, and (3) to determine the effect of the scale of observation (field-of-view) on monitoring alteration the pore space within a fracture caused by reactive flow. A brief summary of the results for each

  12. Lamellar crystalline self-assembly behaviour and solid lipid nanoparticles of a palmityl prodrug analogue of Capecitabine?A chemotherapy agent

    SciTech Connect (OSTI)

    Gong, Xiaojuan; Moghaddam, Minoo J.; Sagnella, Sharon M.; Conn, Charlotte E.; Danon, Stephen J.; Waddington, Lynne J.; Drummond, Calum J.

    2014-09-24

    An amphiphile prodrug, 5'-deoxy-5-fluoro-N{sup 4}-(palmityloxycarbonyl) cytidine or 5'-deoxy-5-fluoro-N{sup 4}-(hexadecanaloxycarbonyl) cytidine (5-FCPal), consisting of the same head group as the commercially available chemotherapeutic agent Capecitabine, linked to a palmityl hydrocarbon chain via a carbamate bond is reported. Thermal analysis of this prodrug indicates that it melts at {approx}115 C followed quickly by degradation beginning at {approx}120 C. The neat solid 5-FCPal amphiphile acquires a lamellar crystalline arrangement with a d-spacing of 28.6 {+-} 0.3 {angstrom}, indicating interdigitation of the hydrocarbon chains. Under aqueous conditions, solid 5-FCPal is non-swelling and no lyotropic liquid crystalline phase formation is observed. In order to assess the in vitro toxicity and in vivo efficacy in colloidal form, solid lipid nanoparticles (SLNs) with an average size of {approx}700 nm were produced via high pressure homogenization. The in vitro toxicity of the 5-FCPal SLNs against several different cancer and normal cell types was assessed over a 48 h period, and IC{sub 50} values were comparable to those observed for Capecitabine. The in vivo efficacy of the 5-FCPal SLNs was then assessed against the highly aggressive mouse 4T1 breast cancer model. To do so, the prodrug SLNs were administered orally at 3 different dosages (0.1, 0.25, 0.5 mmol/mouse/day) and compared to Capecitabine delivered at the same dosages. After 21 days of receiving the treatments, the 0.5 mmol dose of 5-FCPal exhibited the smallest average tumour volume. Since 5-FCPal is activated in a similar manner to Capecitabine via a 3 step enzymatic pathway with the final step occurring preferentially at the tumour site, formulation of the prodrug into SLNs combines the advantage of selective, localized activation with the sustained release properties of nanostructured amphiphile self-assembly and multiple payload materials thereby potentially creating a more effective anticancer

  13. Simulation and Modeling of Self-Assembled Monolayers of Carboxylic Acid Thiols on Flat and Nanoparticle Gold Surfaces

    SciTech Connect (OSTI)

    Techane, Sirnegeda D.; Baer, Donald R.; Castner, David G.

    2011-09-01

    Quantitative analysis of the 16-mercaptohexadecanoic acid self-assembled monolayer (C16 COOH-SAM) layer thickness on gold nanoparticles (AuNPs) was performed using simulation of electron spectra for surface analysis (SESSA) and x-ray photoelectron spectroscopy (XPS). XPS measurements of C16 COOH SAMs on flat gold surfaces were made at 9 different photoelectron take-off angles (5o to 85o in 5o increments), corrected using geometric weighting factors and then summed together to approximate spherical AuNPs. The SAM thickness and relative surface roughness (RSA) in SESSA were optimized to determine the best agreement between simulated and experimental surface composition. Based on the glancing angle results, it was found that inclusion of a hydrocarbon contamination layer on top the C16 COOH-SAM was necessary to improve the agreement between the SESSA and XPS results. For the 16 COOH-SAMs on flat Au surfaces, using a SAM thickness of 1.1Å/CH2 group, an RSA of 1.05 and a 1.5Å CH2-contamination overlayer (total film thickness = 21.5Å) for the SESSA calculations provided the best agreement with the experimental XPS data. After applying the appropriate geometric corrections and summing the SESSA flat surface compositions, the best fit results for the 16 COOH-SAM thickness and surface roughness on the AuNPs were determined to be 0.9Å/CH2 group and 1.06 RSA with a 1.5Å CH2-contamination overlayer (total film thickness = 18.5Å). The three angstrom difference in SAM thickness between the flat Au and AuNP surfaces suggests the alkyl chains of the SAM are slightly more tilted or disordered on the AuNP surfaces.

  14. Synthesis of mesoporous silica materials from municipal solid waste incinerator bottom ash

    SciTech Connect (OSTI)

    Liu, Zhen-Shu Li, Wen-Kai; Huang, Chun-Yi

    2014-05-01

    Highlights: The optimal alkaline agent for the extraction of silica from bottom ash was Na{sub 2}CO{sub 3}. The pore sizes for the mesoporous silica synthesized from bottom ash were 23.8 nm. The synthesized materials exhibited a hexagonal pore structure with a smaller order. The materials have potential for the removal of heavy metals from aqueous solutions. - Abstract: Incinerator bottom ash contains a large amount of silica and can hence be used as a silica source for the synthesis of mesoporous silica materials. In this study, the conditions for alkaline fusion to extract silica from incinerator bottom ash were investigated, and the resulting supernatant solution was used as the silica source for synthesizing mesoporous silica materials. The physical and chemical characteristics of the mesoporous silica materials were analyzed using BET, XRD, FTIR, SEM, and solid-state NMR. The results indicated that the BET surface area and pore size distribution of the synthesized silica materials were 992 m{sup 2}/g and 23.8 nm, respectively. The XRD patterns showed that the synthesized materials exhibited a hexagonal pore structure with a smaller order. The NMR spectra of the synthesized materials exhibited three peaks, corresponding to Q{sup 2} [Si(OSi){sub 2}(OH){sub 2}], Q{sup 3} [Si(OSi){sub 3}(OH)], and Q{sup 4} [Si(OSi){sub 4}]. The FTIR spectra confirmed the existence of a surface hydroxyl group and the occurrence of symmetric SiO stretching. Thus, mesoporous silica was successfully synthesized from incinerator bottom ash. Finally, the effectiveness of the synthesized silica in removing heavy metals (Pb{sup 2+}, Cu{sup 2+}, Cd{sup 2+}, and Cr{sup 2+}) from aqueous solutions was also determined. The results showed that the silica materials synthesized from incinerator bottom ash have potential for use as an adsorbent for the removal of heavy metals from aqueous solutions.

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    Office of Scientific and Technical Information (OSTI)

    ... membrane, carbon sequestration, materials and chemistry by design, synthesis (self-assembly) (3) biodegradation (3) biofuels (including algae and biomass), bio-inspired, membrane, ...

  16. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... carbon sequestration, materials and chemistry by design, synthesis (self-assembly) (5) ... parameters by the microwave network analyzer, thickness of the sample, and wavelength ...

  17. Effects of Dopant Metal Variation and Material Synthesis Method on the Material Properties of Mixed Metal Ferrites in Yttria Stabilized Zirconia for Solar Thermochemical Fuel Production

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Leonard, Jeffrey; Reyes, Nichole; Allen, Kyle M.; Randhir, Kelvin; Li, Like; AuYeung, Nick; Grunewald, Jeremy; Rhodes, Nathan; Bobek, Michael; Klausner, James F.

    2015-01-01

    Mixed metal ferrites have shown much promise in two-step solar-thermochemical fuel production. Previous work has typically focused on evaluating a particular metal ferrite produced by a particular synthesis process, which makes comparisons between studies performed by independent researchers difficult. A comparative study was undertaken to explore the effects different synthesis methods have on the performance of a particular material during redox cycling using thermogravimetry. This study revealed that materials made via wet chemistry methods and extended periods of high temperature calcination yield better redox performance. Differences in redox performance between materials made via wet chemistry methods were minimal andmore » these demonstrated much better performance than those synthesized via the solid state method. Subsequently, various metal ferrite samples (NiFe 2 O 4 , MgFe 2 O 4 , CoFe 2 O 4 , and MnFe 2 O 4 ) in yttria stabilized zirconia (8YSZ) were synthesized via coprecipitation and tested to determine the most promising metal ferrite combination. It was determined that 10 wt.% CoFe 2 O 4 in 8YSZ produced the highest and most consistent yields of O 2 and CO. By testing the effects of synthesis methods and dopants in a consistent fashion, those aspects of ferrite preparation which are most significant can be revealed. More importantly, these insights can guide future efforts in developing the next generation of thermochemical fuel production materials.« less

  18. Synthesis and characterization of ferrite materials for thermochemical CO2 splitting using concentrated solar energy.

    SciTech Connect (OSTI)

    Stechel, Ellen Beth; Ambrosini, Andrea; Coker, Eric Nicholas; Rodriguez, Mark Andrew; Miller, James Edward; Evans, Lindsey R.; Livers, Stephanie

    2010-07-01

    The Sunshine to Petrol effort at Sandia aims to convert carbon dioxide and water to precursors for liquid hydrocarbon fuels using concentrated solar power. Significant advances have been made in the field of solar thermochemical CO{sub 2}-splitting technologies utilizing yttria-stabilized zirconia (YSZ)-supported ferrite composites. Conceptually, such materials work via the basic redox reactions: Fe{sub 3}O{sub 4} {yields} 3FeO + 0.5O{sub 2} (Thermal reduction, >1350 C) and 3FeO + CO{sub 2} {yields} Fe{sub 3}O{sub 4} + CO (CO{sub 2}-splitting oxidation, <1200 C). There has been limited fundamental characterization of the ferrite-based materials at the high temperatures and conditions present in these cycles. A systematic study of these composites is underway in an effort to begin to elucidate microstructure, structure-property relationships, and the role of the support on redox behavior under high-temperature reducing and oxidizing environments. In this paper the synthesis, structural characterization (including scanning electron microscopy and room temperature and in-situ x-ray diffraction), and thermogravimetric analysis of YSZ-supported ferrites will be reported.

  19. Synthesis and characterization of metal oxide materials for thermochemical CO2 splitting using concentrated solar energy.

    SciTech Connect (OSTI)

    Stechel, Ellen Beth; Ambrosini, Andrea; Coker, Eric Nicholas; Rodriguez, Mark Andrew; Miller, James Edward; Evans, Lindsey R.; Livers, Stephanie

    2010-07-01

    The Sunshine to Petrol effort at Sandia aims to convert carbon dioxide and water to precursors for liquid hydrocarbon fuels using concentrated solar power. Significant advances have been made in the field of solar thermochemical CO{sub 2}-splitting technologies utilizing yttria-stabilized zirconia (YSZ)-supported ferrite composites. Conceptually, such materials work via the basic redox reactions: Fe{sub 3}O{sub 4} {yields} 3FeO + 0.5O{sub 2} (Thermal reduction, >1350 C) and 3FeO + CO{sub 2} {yields} Fe{sub 3}O{sub 4} + CO (CO{sub 2}-splitting oxidation, <1200 C). There has been limited fundamental characterization of the ferrite-based materials at the high temperatures and conditions present in these cycles. A systematic study of these composites is underway in an effort to begin to elucidate microstructure, structure-property relationships, and the role of the support on redox behavior under high-temperature reducing and oxidizing environments. In this paper the synthesis, structural characterization (including scanning electron microscopy and room temperature and in-situ x-ray diffraction), and thermogravimetric analysis of YSZ-supported ferrites will be reported.

  20. Effect of parameter variations on the static and dynamic behaviour of a self-assembled quantum-dot laser using circuit-level modelling

    SciTech Connect (OSTI)

    Razm-Pa, M; Emami, F

    2015-01-31

    We report a new circuit model for a self-assembled quantum-dot (SAQD) laser made of InGaAs/GaAs structures. The model is based on the excited state and standard rate equations, improves the previously suggested circuit models and also provides and investigates the performance of this kind of laser. The carrier dynamic effects on static and dynamic characteristics of a SAQD laser are analysed. The phonon bottleneck problem is simulated. Quantum-dot lasers are shown to be quite sensitive to the crystal quality outside and inside quantum dots. The effects of QD coverage factor, inhomogeneous broadening, the physical source of which is the size fluctuation of quantum dots formed by self-assembly of atoms, and cavity length on the SAQD laser characteristics are analysed. The results of simulation show that an increase in the cavity length and in the QD coverage factor results in the growth of the output power. On the other hand, an increase in the coverage factor and a degradation of inhomogeneous broadening lead to an increase in the modulation bandwidth. The effect of the QD height (cylindrical shape) and stripe width of the laser cavity on QD laser modulation is also analysed. (lasers)

  1. Synthesis and energetic properties of TAGDNAT: a new high-nitrogen material

    SciTech Connect (OSTI)

    Chavez, David E

    2008-01-01

    This paper describes the synthesis and characterization of Bis-(triaminoguanidinium)3,3'-dinitro5,5'-azo-1,2,4-triazolate (TAGDNAT), a novel high-nitrogen molecule that derives its energy release from both a high heat of formation and intramolecular oxidation reactions. TAGDNAT shows promise as a propellant or explosive ingredient not only due to its high nitrogen content (66.35 wt%) but additionally due to its high hydrogen content (4.34 wt%). This new molecule has been characterized with respect to its morphology, sensitivity properties, explosive and combustion performance. The heat of formation of TAGDNAT was also experimentally determined. The results of these studies show that TAGDNAT has one of the gastest low-pressure burning rates (at 1000 PSI) we have yet measured, 6.79 cm/s at 100 p.s.i. (39% faster than triaminoguanidinium azotetrazolate (TAGzT), a comparable high-nitrogen/high-hydrogen material). Furthermore, its pressure sensitivity is 0.507, a 33% reduction compared to TAGzT.

  2. Low-dislocation-density epitatial layers grown by defect filtering by self-assembled layers of spheres

    DOE Patents [OSTI]

    Wang, George T.; Li, Qiming

    2013-04-23

    A method for growing low-dislocation-density material atop a layer of the material with an initially higher dislocation density using a monolayer of spheroidal particles to bend and redirect or directly block vertically propagating threading dislocations, thereby enabling growth and coalescence to form a very-low-dislocation-density surface of the material, and the structures made by this method.

  3. Process for the liquefaction of solid carbonaceous materials wherein nitrogen is separated from hydrogen via ammonia synthesis

    DOE Patents [OSTI]

    Stetka, Steven S.; Nazario, Francisco N.

    1982-01-01

    In a process for the liquefaction of solid carbonaceous materials wherein bottoms residues are upgraded with a process wherein air is employed, the improvement wherein nitrogen buildup in the system is avoided by ammonia synthesis. In a preferred embodiment hydrogen from other portions of the liquefaction process will be combined with hydrogen produced as a result of the bottoms upgrading to increase the H.sub.2 :N.sub.2 ratio in the ammonia reactor.

  4. Self assembly of acetylcholinesterase on a gold nanoparticlesgraphene nanosheet hybrid for organophosphate pesticide detection using polyelectrolyte as a linker

    SciTech Connect (OSTI)

    Wang, Ying; Zhang, Sheng; Du, Dan; Shao, Yuyan; Li, Zhaohui; Wang, Jun; Engelhard, Mark H.; Li, Jinghong; Lin, Yuehe

    2011-04-14

    A nanohybrid of gold nanoparticles (Au NPs) and chemically reduced graphene oxide nanosheets (cr-Gs) was synthesized by in situ growth of Au NPs on the surface of graphene nanosheets in the presence of poly(diallyldimethylammonium chloride) (PDDA), which not only improved the dispersion of Au NPs but also stabilized cholinesterase with high activity and loading efficiency. The obtained nanohybrid was characterized by TEM, XRD, XPS, and electrochemistry. Then an enzyme nanoassembly (AChE/Au NPs/cr-Gs) was prepared by self-assembling acetylcholinesterase (AChE) on Au NP/cr-Gs nanohybrid. An electrochemical sensor based on AChE/Au NPs/cr-Gs was further developed for ultrasensitive detection of organophosphate pesticide. The results demonstrate that the developed approach provides a promising strategy to improve the sensitivity and enzyme activity of electrochemical biosensors.

  5. Self-assembly of compositionally modulated Ga{sub 1−x}Mn{sub x}As multilayers during molecular beam epitaxy

    SciTech Connect (OSTI)

    Gallardo-Hernández, S.; Martinez-Velis, I.; Ramirez-Lopez, M.; Lopez-Lopez, M.; Kudriatsev, Y.; Escobosa-Echavarria, A.; Luiz Morelhao, S.

    2013-11-04

    GaMnAs structures were grown on GaAs(100) substrates by molecular beam epitaxy employing different growth parameters. We studied manganese incorporation employing secondary ion mass spectrometry (SIMS). At a growth temperature of 300 °C, we observed a self-assembled modulation of the manganese concentration. SIMS depth profiles were analyzed employing a depth resolution function taking into account sputtering-induced broadening of the original distribution and segregation. We found a Mn segregation length along the growth direction of ∼4 nm. The presence of GaMnAs multilayers was corroborated by high-resolution x-ray diffraction. Spinodal decomposition is a possible mechanism for the spontaneous formation of the multilayer structure.

  6. Spontaneous orientation-tuning driven by the strain variation in self-assembled ZnO-SrRuO{sub 3} heteroepitaxy

    SciTech Connect (OSTI)

    Zhu, Yuanmin; Liu, Ruirui; Zhan, Qian; Chang, Wei Sea; Yu, Rong; Wei, Tzu-Chiao; He, Jr-Hau; Chu, Ying-Hao

    2015-11-09

    Heteroepitaxial ZnO and SrRuO{sub 3} were grown on SrTiO{sub 3} (111) substrates and formed a self-assembled wurtzite-perovskite nanostructure. Spontaneous orientation-tuning of the SrRuO{sub 3} pillars was observed, with the growth direction changing from [111]{sub SRO} to [011]{sub SRO} as the film thickness increased, which is attributed to a misfit strain transition from the biaxial strain imposed by the SrTiO{sub 3} substrate to the vertical strain provided by the ZnO matrix. The [011]-SrRuO{sub 3} and [0001]-ZnO combination presents a favorable matching in the nanocomposite films, resulting in higher charge carrier mobility. This vertically integrated configuration and regulation on the crystallographic orientations are expected to be employed in designing multi-functional nanocomposite systems for applications in electronic devices.

  7. Exciton and biexciton dynamics in single self-assembled InAs/InGaAlAs/InP quantum dash emitting near 1.55??m

    SciTech Connect (OSTI)

    Dusanowski, ?.; Syperek, M. Rudno-Rudzi?ski, W.; Mrowi?ski, P.; Sek, G.; Misiewicz, J.; Somers, A.; Reithmaier, J. P.; Hfling, S.; Forchel, A.

    2013-12-16

    Exciton and biexciton dynamics in a single self-assembled InAs/In{sub 0.53}Ga{sub 0.23}Al{sub 0.24}As/InP(001) quantum dash emitting near 1.55??m has been investigated by micro-photoluminescence and time-resolved micro-photoluminescence at T?=?4.2?K. The exciton and biexciton fine structure splitting of ?60??eV, the biexciton binding energy of ?3.5?meV, and the characteristic exciton and biexciton decay times of 2.0??0.1?ns and 1.1??0.1?ns, respectively, have been determined. The measurement of the biexciton and exciton cross-correlation statistics of the photon emission confirmed the cascaded relaxation process. The exciton-to-biexciton decay time ratio and a small fine structure splitting suggest carrier localization within the investigated quantum dash.

  8. Self-assembled ZnGa{sub 2}O{sub 4}–RGO nanocomposites and their enhanced adsorption and photocatalytic performance in water treatment

    SciTech Connect (OSTI)

    Huang, K.; Zhao, X.S.; Li, Y.F.; Xu, X.; Liang, C.; Fan, D.Y.; Yang, H.J.; Zhang, R.; Wang, Y.G.; Lei, M.

    2014-12-15

    Highlights: • ZnGa{sub 2}O{sub 4}–RGO nanocomposites by a self-assembly approach under facile solvothermal condition. • ZnGa{sub 2}O{sub 4} NPs have a well-controlled size and uniform distribution. • The water treatment process is formed by two successive parts: adsorption and photocatalytic degradation. • The content of RGO sheets is crucial for optimizing the photocatalytic activity with a key value of 5%. - Abstract: ZnGa{sub 2}O{sub 4} nanoparticles (NPs) have been successfully anchored onto reduced graphene oxide (RGO) nanosheets by a self-assembly approach under facile solvothermal condition. The as-synthesized ZnGa{sub 2}O{sub 4}–RGO nanocomposites were investigated by X-ray diffraction (XRD), field emission scanning electron microscope (FESEM) and transmission electron microscope (TEM). The results reveal that ZnGa{sub 2}O{sub 4} NPs with a well-controlled size and uniform distribution were successfully assembled onto RGO sheets. Moreover, both methylene blue (MB) and rhodamine B (RhB) were employed as model pollutants to evaluate the ability of as-prepared ZnGa{sub 2}O{sub 4}–RGO nanocomposites for wastewater treatment. The content of RGO sheets was found to be crucial for optimizing the photocatalytic activity of various nanocomposites with a key value of 5% beyond which the adsorption ability of ZnGa{sub 2}O{sub 4}–RGO nanocomposites for dyes dominates the process of water treatment.

  9. Reusable biocompatible interface for immobilization of materials on a solid support

    DOE Patents [OSTI]

    Salamon, Z.; Schmidt, R.A.; Tollin, G.; Macleod, H.A.

    1996-05-28

    A method is presented for the formation of a biocompatible film composed of a self-assembled bilayer membrane deposited on a planar surface. This bilayer membrane is capable of immobilizing materials to be analyzed in an environment very similar to their native state. Materials so immobilized may be subject to any of a number of analytical techniques. 3 figs.

  10. Reusable biocompatible interface for immobilization of materials on a solid support

    DOE Patents [OSTI]

    Salamon, Zdzislaw; Schmidt, Richard A.; Tollin, Gordon; Macleod, H. Angus

    1996-01-01

    A method for the formation of a biocompatible film composed of a self-assembled bilayer membrane deposited on a planar surface. This bilayer membrane is capable of immobilizing materials to be analyzed in an environment very similar to their native state. Materials so immobilized may be subject to any of a number of analytical techniques.

  11. Development of Novel Polymeric Materials for Gene Therapy and pH-Sensitive Drug Delivery: Modeling, Synthesis, Characterization, and Analysis

    SciTech Connect (OSTI)

    Brian Curtis Anderson

    2002-08-27

    The underlying theme of this thesis is the use of polymeric materials in bioapplications. Chapters 2-5 either develop a fundamental understanding of current materials used for bioapplications or establish protocols and procedures used in characterizing and synthesizing novel materials. In chapters 6 and 7 these principles and procedures are applied to the development of materials to be used for gene therapy and drug delivery. Chapter one is an introduction to the ideas that will be necessary to understand the subsequent chapters, as well as a literature review of these topics. Chapter two is a paper that has been published in the ''Journal of Controlled Release'' that examines the mechanism of drug release from a polymer gel, as well as experimental design suggestions for the evaluation of water soluble drug delivery systems. Chapter three is a paper that has been published in the ''Journal of Pharmaceutical Sciences'' that discusses the effect ionic salts have on properties of the polymer systems examined in chapter two. Chapter four is a paper published in the Materials Research Society Fall 2000 Symposium Series dealing with the design and synthesis of a pH-sensitive polymeric drug delivery device. Chapter five is a paper that has been published in the journal ''Biomaterials'' proposing a novel polymer/metal composite for use as a biomaterial in hip arthroplasty surgery. Chapter six is a paper that will appear in an upcoming volume of the Journal ''Biomaterials'' dealing with the synthesis of a novel water soluble cationic polymer with possible applications in non-viral gene therapy. Chapter seven is a paper that has been submitted to ''Macromolecules'' discussing several novel block copolymers based on poly(ethylene glycol) and poly(diethylamino ethyl methacrylate) that possess both pH-sensitive and temperature sensitive properties. Chapter eight contains a summary of the research contained in chapters 2-7 and proposes future research for the gene therapy and

  12. Fabrication of ultrathin solid electrolyte membranes of β-Li3PS4 nanoflakes by evaporation-induced self-assembly for all-solid-state batteries

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wang, Hui; Hood, Zachary D.; Xia, Younan; Liang, Chengdu

    2016-04-25

    All-solid-state lithium batteries are attractive candidates for next-generation energy storage devices because of their anticipated high energy density and intrinsic safety. Owing to their excellent ionic conductivity and stability with metallic lithium anodes, nanostructured lithium thiophosphate solid electrolytes such as β-Li3PS4 have found use in the fabrication of all-solid lithium batteries for large-scale energy storage systems. However, current methods for preparing air-sensitive solid electrolyte membranes of lithium thiophosphates can only generate thick membranes that compromise the battery's gravimetric/volumetric energy density and thus its rate performance. To overcome this limitation, the solid electrolyte's thickness needs to be effectively decreased to achievemore » ideal energy density and enhanced rate performance. In this paper, we show that the evaporation-induced self-assembly (EISA) technique produces ultrathin membranes of a lithium thiophosphate solid electrolyte with controllable thicknesses between 8 and 50 μm while maintaining the high ionic conductivity of β-Li3PS4 and stability with metallic lithium anodes up to 5 V. Finally, it is clearly demonstrated that this facile EISA approach allows for the preparation of ultrathin lithium thiophosphate solid electrolyte membranes for all-solid-state batteries.« less

  13. Investigation of the deposition and thermal behavior of striped phases of unsymmetric disulfide self-assembled monolayers on Au(111): The case of 11-hydroxyundecyl decyl disulfide

    SciTech Connect (OSTI)

    Albayrak, Erol; Karabuga, Semistan; Bracco, Gianangelo; Dan??man, M. Fatih

    2015-01-07

    Self-assembled monolayers (SAMs) of unsymmetric disulfides on Au(111) are used to form mixed SAMs that can be utilized in many applications. Here, we have studied 11-hydroxyundecyl decyl disulfide (CH{sub 3}(CH{sub 2}){sub 9}SS(CH{sub 2}){sub 11}OH, HDD) SAMs produced by supersonic molecular beam deposition and characterized by He diffraction. The film growth was monitored at different temperatures up to a coverage which corresponds to a full lying down phase and the diffraction analysis shows that below 250 K the phase is different from the phase measured above 300 K. During the annealing of the film, two phase transitions were observed, at 250 K and 350 K. The overall data suggest that the former is related to an irreversible phase separation of HDD above 250 K to decanethiolate (S(CH{sub 2}){sub 9}CH{sub 3}, DTT) and hydroxyundecylthiolate (S(CH{sub 2}){sub 11}OH, MUDT), while the latter to a reversible melting of the film. Above 450 K, the specular intensity shows an increase related to film desorption and different chemisorbed states were observed with energies in the same range as observed for decanethiol (HS(CH{sub 2}){sub 9}CH{sub 3}, DT) and mercaptoundecanol (HS(CH{sub 2}){sub 11}OH, MUD) SAMs.

  14. Evaluation of Co-precipitation Processes for the Synthesis of Mixed-Oxide Fuel Feedstock Materials

    SciTech Connect (OSTI)

    Collins, Emory D; Voit, Stewart L; Vedder, Raymond James

    2011-06-01

    The focus of this report is the evaluation of various co-precipitation processes for use in the synthesis of mixed oxide feedstock powders for the Ceramic Fuels Technology Area within the Fuels Cycle R&D (FCR&D) Program's Advanced Fuels Campaign. The evaluation will include a comparison with standard mechanical mixing of dry powders and as well as other co-conversion methods. The end result will be the down selection of a preferred sequence of co-precipitation process for the preparation of nuclear fuel feedstock materials to be used for comparison with other feedstock preparation methods. A review of the literature was done to identify potential nitrate-to-oxide co-conversion processes which have been applied to mixtures of uranium and plutonium to achieve recycle fuel homogeneity. Recent studies have begun to study the options for co-converting all of the plutonium and neptunium recovered from used nuclear fuels, together with appropriate portions of recovered uranium to produce the desired mixed oxide recycle fuel. The addition of recycled uranium will help reduce the safeguard attractiveness level and improve proliferation resistance of the recycled fuel. The inclusion of neptunium is primarily driven by its chemical similarity to plutonium, thus enabling a simple quick path to recycle. For recycle fuel to thermal-spectrum light water reactors (LWRs), the uranium concentration can be {approx}90% (wt.), and for fast spectrum reactors, the uranium concentration can typically exceed 70% (wt.). However, some of the co-conversion/recycle fuel fabrication processes being developed utilize a two-step process to reach the desired uranium concentration. In these processes, a 50-50 'master-mix' MOX powder is produced by the co-conversion process, and the uranium concentration is adjusted to the desired level for MOX fuel recycle by powder blending (milling) the 'master-mix' with depleted uranium oxide. In general, parameters that must be controlled for co

  15. Proton exchange membrane materials for the advancement of direct methanol fuel-cell technology

    DOE Patents [OSTI]

    Cornelius, Christopher J.

    2006-04-04

    A new class of hybrid organic-inorganic materials, and methods of synthesis, that can be used as a proton exchange membrane in a direct methanol fuel cell. In contrast with Nafion.RTM. PEM materials, which have random sulfonation, the new class of materials have ordered sulfonation achieved through self-assembly of alternating polyimide segments of different molecular weights comprising, for example, highly sulfonated hydrophilic PDA-DASA polyimide segment alternating with an unsulfonated hydrophobic 6FDA-DAS polyimide segment. An inorganic phase, e.g., 0.5 5 wt % TEOS, can be incorporated in the sulfonated polyimide copolymer to further improve its properties. The new materials exhibit reduced swelling when exposed to water, increased thermal stability, and decreased O.sub.2 and H.sub.2 gas permeability, while retaining proton conductivities similar to Nafion.RTM.. These improved properties may allow direct methanol fuel cells to operate at higher temperatures and with higher efficiencies due to reduced methanol crossover.

  16. Helical Peptide Arrays on Self-Assembled Monolayer Surfaces Through Soft and Reactive Landing of Mass-Selected Ions

    SciTech Connect (OSTI)

    Wang, Peng; Laskin, Julia

    2008-08-01

    The ?-helix the common building block of the protein secondary structure - plays an important role in determining protein structure and function. The biological function of the ?-helix is mainly attributed to its large macrodipole originating from the alignment of individual dipole moments of peptide bonds. Preparation of directionally aligned ?-helical peptide layers on substrates has attracted significant attention because the resulting strong net dipole is useful for a variety of applications in photonics, , molecular electronics, and catalysis. - In addition, conformationally-selected ?-helical peptide arrays can be used for detailed characterization of molecular recognition steps critical for protein folding, enzyme function and DNA binding by proteins. Existing technologies for the production of ?-helical peptide surfaces are based on a variety of solution phase synthetic strategies - that usually require relatively large quantities of purified materials.

  17. Potential applications of nanostructured materials in nuclear waste management.

    SciTech Connect (OSTI)

    Braterman, Paul S. (The University of North Texas, Denton, TX); Phol, Phillip Isabio; Xu, Zhi-Ping (The University of North Texas, Denton, TX); Brinker, C. Jeffrey; Yang, Yi; Bryan, Charles R.; Yu, Kui; Xu, Huifang (University of New Mexico, Albuquerque, NM); Wang, Yifeng; Gao, Huizhen

    2003-09-01

    This report summarizes the results obtained from a Laboratory Directed Research & Development (LDRD) project entitled 'Investigation of Potential Applications of Self-Assembled Nanostructured Materials in Nuclear Waste Management'. The objectives of this project are to (1) provide a mechanistic understanding of the control of nanometer-scale structures on the ion sorption capability of materials and (2) develop appropriate engineering approaches to improving material properties based on such an understanding.

  18. Materials Discovery Design and Synthesis | U.S. DOE Office of Science (SC)

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Security Administration | (NNSA) Materials Control and Accountability Program Manager Amy Whitworth Amy Whitworth July 2009 Fellow by the Institute of Nuclear Materials Management NNSA Materials Control and Accountability Program Manager Amy Whitworth was awarded the prestigious title of Fellow by the Institute of Nuclear Materials Management during its recent annual meeting in Tucson, Ariz. Fellows must be nominated by their peers, recommended by the INMM Fellows Committee and approved by

  19. Green synthesis of boron doped graphene and its application as high performance anode material in Li ion battery

    SciTech Connect (OSTI)

    Sahoo, Madhumita; Sreena, K.P.; Vinayan, B.P.; Ramaprabhu, S.

    2015-01-15

    Graphical abstract: Boron doped graphene (B-G), synthesized by simple hydrogen induced reduction technique using boric acid as boron precursor, have more uneven surface as a result of smaller bonding distance of boron compared to carbon, showed high capacity and high rate capability compared to pristine graphene as an anode material for Li ion battery application. - Abstract: The present work demonstrates a facile route for the large-scale, catalyst free, and green synthesis approach of boron doped graphene (B-G) and its use as high performance anode material for Li ion battery (LIB) application. Boron atoms were doped into graphene framework with an atomic percentage of 5.93% via hydrogen induced thermal reduction technique using graphite oxide and boric acid as precursors. Various characterization techniques were used to confirm the boron doping in graphene sheets. B-G as anode material shows a discharge capacity of 548 mAh g{sup ?1} at 100 mA g{sup ?1} after 30th cycles. At high current density value of 1 A g{sup ?1}, B-G as anode material enhances the specific capacity by about 1.7 times compared to pristine graphene. The present study shows a simplistic way of boron doping in graphene leading to an enhanced Li ion adsorption due to the change in electronic states.

  20. Self-assembling software generator

    DOE Patents [OSTI]

    Bouchard, Ann M.; Osbourn, Gordon C.

    2011-11-25

    A technique to generate an executable task includes inspecting a task specification data structure to determine what software entities are to be generated to create the executable task, inspecting the task specification data structure to determine how the software entities will be linked after generating the software entities, inspecting the task specification data structure to determine logic to be executed by the software entities, and generating the software entities to create the executable task.

  1. Synthesis of hydrogen-carbon clathrate material and hydrogen evolution therefrom at moderate temperatures and pressures

    DOE Patents [OSTI]

    Lueking, Angela; Narayanan, Deepa

    2011-03-08

    A process for making a hydrogenated carbon material is provided which includes forming a mixture of a carbon source, particularly a carbonaceous material, and a hydrogen source. The mixture is reacted under reaction conditions such that hydrogen is generated and/or released from the hydrogen source, an amorphous diamond-like carbon is formed, and at least a portion of the generated and/or released hydrogen associates with the amorphous diamond-like carbon, thereby forming a hydrogenated carbon material. A hydrogenated carbon material including a hydrogen carbon clathrate is characterized by evolution of molecular hydrogen at room temperature at atmospheric pressure in particular embodiments of methods and compositions according to the present invention.

  2. Synthesis, characterization, properties, and applications of nanosized ferroelectric, ferromagnetic, or multiferroic materials

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Dhak, Debasis; Hong, Seungbum; Das, Soma; Dhak, Prasanta

    2015-01-01

    Recently, there has been an enormous increase in research activity in the field of ferroelectrics and ferromagnetics especially in multiferroic materials which possess both ferroelectric and ferromagnetic properties simultaneously. However, the ferroelectric, ferromagnetic, and multiferroic properties should be further improved from the utilitarian and commercial viewpoints. Nanostructural materials are central to the evolution of future electronics and information technologies. Ferroelectrics and ferromagnetics have already been established as a dominant branch in electronics sector because of their diverse applications. The ongoing dimensional downscaling of materials to allow packing of increased numbers of components into integrated circuits provides the momentum for evolutionmoreof nanostructural devices. Nanoscaling of the above materials can result in a modification of their functionality. Furthermore, nanoscaling can be used to form high density arrays of nanodomain nanostructures, which is desirable for miniaturization of devices.less

  3. Synthesis and characterization of Bi-doped Mg{sub 2}Si thermoelectric materials

    SciTech Connect (OSTI)

    Fiameni, S.; Battiston, S.; Boldrini, S.; Famengo, A.; Agresti, F.; Barison, S.; Fabrizio, M.

    2012-09-15

    The Mg{sub 2}Si-based alloys are promising candidates for thermoelectric energy conversion for the middle high range of temperature. They are very attractive as they could replace lead-based compounds due to their low cost and non toxicity. They could also result in thermoelectric generator weight reduction (a key feature for the automotive application field). The high value of thermal conductivity of the silicide-based materials could be reduced by increasing the phonon scattering in the presence of nanosized crystalline grains without heavily interfering with the electrical conductivity of the thermoelectric material. Nanostructured materials were obtained under inert atmosphere through ball milling, thermal treatment and spark plasma sintering processes. In particular, the role of several bismuth doping amounts in Mg{sub 2}Si were investigated (Mg{sub 2}Si:Bi=1:x for x=0.01, 0.02 and 0.04 M ratio). The morphology, the composition and the structure of the samples were characterized by FE-SEM, EDS and XRD analyses after each process step. Moreover, the Seebeck coefficient analyses at high temperature and the electrical and thermal conductivity of the samples are presented in this work. The nanostructuring processes were affect by the MgO amount increase which influenced the thermoelectric properties of the samples mainly by reducing the electrical conductivity. With the aim of further increasing the scattering phenomena by interface or boundary effect, carbon nanostructures named Single Wall Carbon Nanohorns were added to the Mg{sub 2}Si in order to produce a nanocomposite material. The influence of the nanostructured filler on the thermoelectric material properties is also discussed. - Graphical abstract: Figure of merit (ZT) of Bi-doped samples and undoped Mg{sub 2}Si. A maximum ZT value of 0.39 at 600 Degree-Sign C was obtained for the nanocomposite material obtained adding Single Wall Carbon Nanohorns to the Bi 0.02 at% doped silicide. Highlights: Black

  4. A green synthesis of a layered titanate, potassium lithium titanate; lower temperature solid-state reaction and improved materials performance

    SciTech Connect (OSTI)

    Ogawa, Makoto; Morita, Masashi; Igarashi, Shota; Sato, Soh

    2013-10-15

    A layered titanate, potassium lithium titanate, with the size range from 0.1 to 30 m was prepared to show the effects of the particle size on the materials performance. The potassium lithium titanate was prepared by solid-state reaction as reported previously, where the reaction temperature was varied. The reported temperature for the titanate preparation was higher than 800 C, though 600 C is good enough to obtain single-phase potassium lithium titanate. The lower temperature synthesis is cost effective and the product exhibit better performance as photocatalysts due to surface reactivity. - Graphical abstract: Finite particle of a layered titanate, potassium lithium titanate, was prepared by solid-state reaction at lower temperature to show modified materials performance. Display Omitted - Highlights: Potassium lithium titanate was prepared by solid-state reaction. Lower temperature reaction resulted in smaller sized particles of titanate. 600 C was good enough to obtain single phased potassium lithium titanate. The product exhibited better performance as photocatalyst.

  5. Fabrication of high temperature materials by exothermic synthesis and subsequent dynamic consolidation

    DOE Patents [OSTI]

    Rabin, Barry H.; Korth, Gary E.; Wright, Richard N.; Williamson, Richard L.

    1992-01-01

    An apparatus for synthesizing a composite material such as titanium carbide and alumina from exothermic reaction of a sample followed by explosive induced consolidation of the reacted sample. The apparatus includes a lower base for holding a powdered composite sample, an igniter and igniter powder for igniting the sample to initiate an exothermic reaction and a piston for dynamically compressing the sample utilizing an explosive reaction.

  6. Immobilization of actinides in stable mineral type and ceramic materials (high temperature synthesis)

    SciTech Connect (OSTI)

    Starkov, O.; Konovalov, E.

    1996-05-01

    Alternative vitrification technologies are being developed in the world for the immobilization of high radioactive waste in materials with improved thermodynamic stability, as well as improved chemical and thermal stability and stability to radiation. Oxides, synthesized in the form of analogs to rock-forming minerals and ceramics, are among those materials that have highly stable properties and are compatible with the environment. In choosing the appropriate material, we need to be guided by its geometric stability, the minimal number of cations in the structure of the material and the presence of structural elements in the mineral that are isomorphs of uranium and thorium, actinoids found in nature. Rare earth elements, yttrium, zirconium and calcium are therefore suitable. The minerals listed in the table (with the exception of the zircon) are pegatites by origin, i.e. they are formed towards the end of the magma crystallization of silicates form the residual melt, enriched with Ta, Nb, Ti, Zr, Ce, Y, U and Th. Uranium and thorium in the form of isomorphic admixtures form part of the lattice of the mineral. These minerals, which are rather simple in composition and structure and are formed under high temperatures, may be viewed as natural physio-chemical systems that are stable and long-lived in natural environments. The similarity of the properties of actinoids and lanthanoids plays an important role in the geochemistry of uranium and thorium; however, uranium (IV) is closer to the {open_quotes}heavy{close_quotes} group of lanthanoids (the yttrium group) while thorium (IV) is closer to the {open_quotes}light{close_quotes} group (the cerium group). That is why rare earth minerals contain uranium and thorium in the form of isomorphic admixtures.

  7. Fullerene materials

    SciTech Connect (OSTI)

    Malhotra, R.; Ruoff, R.S.; Lorents, D.C.

    1995-04-01

    Fullerenes are all-carbon cage molecules. The most celebrated fullerene is the soccer-ball shaped C{sub 60}, which is composed of twenty hexagons and twelve pentagons. Because its structure is reminiscent of the geodesic domes of architect R. Buckminster Fuller, C{sub 60} is called buckminsterfullerene, and all the materials in the family are designated fullerenes. Huffman and Kraetschmer`s discovery unleashed activity around the world as scientists explored production methods, properties, and potential uses of fullerenes. Within a short period, methods for their production in electric arcs, plasmas, and flames were discovered, and several companies began selling fullerenes to the research market. What is remarkable is that in all these methods, carbon atoms assemble themselves into cage structures. The capability for self-assembly points to some inherent stability of these structures that allows their formation. The unusual structure naturally leads to unusual properties. Among them are ready solubility in solvents and a relatively high vapor pressure for a pure carbon material. The young fullerene field has already produced a surprising array of structures for the development of carbon-base materials having completely new and different properties from any that were previously possible.

  8. Functional Materials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Functional Materials Researchers in NETL's Functional Materials Development competency work to discover and develop advanced functional materials and component processing technologies to meet technology performance requirements and enable scale-up for proof-of-concept studies. Research includes separations materials and electrochemical and magnetic materials, specifically: Separations Materials Synthesis, purification, and basic characterization of organic substances, including polymers and

  9. Hierarchically Superstructured Prussian Blue Analogues: Spontaneous Assembly Synthesis and Applications as Pseudocapacitive Materials

    SciTech Connect (OSTI)

    Yue, Yanfeng; Zhang, Zhiyong; Binder, Andrew J.; Chen, Jihua; Jin, Xianbo; Overbury, Steven; Dai, Sheng

    2014-11-10

    Hierarchically superstructured Prussian blue analogues (hexa- conventional hybrid graphene/MnO2 nanostructured textiles. cyanoferrate, M = NiII, CoII and CuII) are synthesized through Because sodium or potassium ions are involved in energy stor- a spontaneous assembly technique. In sharp contrast to mac- age processes, more environmentally neutral electrolytes can roporous-only Prussian blue analogues, the hierarchically su- be utilized, making the superstructured porous Prussian blue perstructured porous Prussian blue materials are demonstrated analogues a great contender for applications as high-per- to possess a high capacitance, which is similar to those of the formance pseudocapacitors.

  10. Hierarchically Superstructured Prussian Blue Analogues: Spontaneous Assembly Synthesis and Applications as Pseudocapacitive Materials

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yue, Yanfeng; Zhang, Zhiyong; Binder, Andrew J.; Chen, Jihua; Jin, Xianbo; Overbury, Steven; Dai, Sheng

    2014-11-10

    Hierarchically superstructured Prussian blue analogues (hexa- conventional hybrid graphene/MnO2 nanostructured textiles. cyanoferrate, M = NiII, CoII and CuII) are synthesized through Because sodium or potassium ions are involved in energy stor- a spontaneous assembly technique. In sharp contrast to mac- age processes, more environmentally neutral electrolytes can roporous-only Prussian blue analogues, the hierarchically su- be utilized, making the superstructured porous Prussian blue perstructured porous Prussian blue materials are demonstrated analogues a great contender for applications as high-per- to possess a high capacitance, which is similar to those of the formance pseudocapacitors.

  11. Sono synthesis and characterization of nanophase molybdenum-based materials for catalytic hydrodesulfurization.

    SciTech Connect (OSTI)

    Mahajan, D.; Marshall, C. L.; Castagnola, N.; Hanson, J. C.; BNL

    2004-02-10

    Unsupported nano-phase MoS{sub 2}, CoS, and CoS-MoS{sub 2} (Mo/Co mole ratio {approx}6/1) materials were prepared in hexadecane by sonolysis of the corresponding metal carbonyls at {approx}50 {sup o}C in high (>90%) yields as measured by the evolved carbon monoxide. Direct sonolysis of commercial micron-sized MoS{sub 2} in hexadecane did not result in nano-sizing. The TEM images showed that the synthesized MoS{sub 2} were aggregates of {approx}20 nm mean particle diameter, CoS was {approx}50 nm and the mixed-metal CoS-MoS{sub 2} could be viewed as a composite in which smaller MoS{sub 2} particles resided on the larger crystallites of CoS. The broad XRD peaks were consistent with nano-structured MoS{sub 2} and the sharp peaks were consistent with a more crystalline CoS-MoS{sub 2} species. The sharp peaks did not fit any single CoS pattern suggesting multiple phases. The XRD data showed that sonolysis did not alter the morphology of the micron-sized commercial MoS{sub 2} sample. In the HDS comparative activity study of dibenzothiophene, the synthesized nano-phase MoS{sub 2} exhibited more than an order of magnitude higher activity than its commercial micron-sized counterpart and the addition of Co further enhanced the activity. The HDS activity mirrored the temperature programmed reduction data. Interestingly, the nano-phase materials were less active for hydrogenation of 1-octene during the HDS study.

  12. Materials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Materials Materials Access to Hopper Phase II (Cray XE6) If you are a current NERSC user, you are enabled to use Hopper Phase II. Use your SSH client to connect to Hopper II:...

  13. Materials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Materials Materials Understanding and manipulating the most fundamental properties of materials can lead to major breakthroughs in solar power, reactor fuels, optical computing, telecommunications. News Releases Science Briefs Photos Picture of the Week Publications Social Media Videos Fact Sheets Yu Seung Kim (left) and Kwan-Soo Lee (right) New class of fuel cells offer increased flexibility, lower cost A new class of fuel cells based on a newly discovered polymer-based material could bridge

  14. Facile synthesis, spectral properties and formation mechanism of sulfur nanorods in PEG-200

    SciTech Connect (OSTI)

    Xie, Xin-yuan; Li, Li-yun; Zheng, Pu-sheng; Zheng, Wen-jie; Bai, Yan; Cheng, Tian-feng; Liu, Jie

    2012-11-15

    Graphical abstract: Homogeneous rod-like structure of sulfur with a typical diameter of about 80 nm and an average aspect ratio of about 68 was obtained. The sulfur nanoparticles could self-assemble from spherical particles to nanorods in PEG-200. During the self-assembling process, the absorption band showed a red shift which was due to the production of nanorods. Highlights: ? A novel, facile and greener method to synthesize sulfur nanorods by the solubilizing and templating effect of PEG-200 was reported. ? S{sup 0} nanoparticles could self assemble in PEG-200 and finally form monodisperse and homogeneous rod-like structure with an average diameter of about 80 nm, the length ca. 600 nm. ? The absorption band showed a red shift and the RRS intensity enhanced continuously during the self-assembling process. ? PEG-200 induced the oriented attachment of sulfur nanoparticles by the terminal hydroxyl groups. -- Abstract: The synthesis of nano-sulfur sol by dissolving sublimed sulfur in a green solvent-PEG-200 was studied. Homogeneous rod-like structure of sulfur with a typical diameter of about 80 nm and an average aspect ratio of 68 was obtained. The structure, morphology, size, and stability of the products were investigated by transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and dynamic light scattering (DLS) measurements. The spectral properties of the products were investigated by ultraviolet-visible (UVvis) absorption and resonance Rayleigh scattering spectroscopy (RRS). The results showed that the spherical sulfur nanoparticles could self-assemble into nanorods in PEG-200. During the self-assembling process, the absorption band showed a red shift and the RRS intensity enhanced continuously. There was physical cross-linking between PEG and sulfur nanoparticles. PEG-200 induced the oriented attachment of sulfur nanoparticles by the terminal

  15. Pulsed-Laser Deposited Amorphous Diamond and Related Materials: Synthesis, Characterization, and Field Emission Properties

    SciTech Connect (OSTI)

    Baylor, L.R.; Geohegan, D.B.; Jellison, G.E., Jr.; Lowndes, D.H.; Merkulov, V.I.; Puretzky, A.A.

    1999-01-23

    Amorphous carbon films with variable sp{sup 3} content were produced by ArF (193nm) pulsed laser deposition. An in-situ ion probe was used to measure kinetic energy of C{sup +} ions. In contrast to measurements made as a function of laser fluence, ion probe measurements of kinetic energy are a convenient as well as more accurate and fundamental method for monitoring deposition conditions, with the advantage of being readily transferable for inter-laboratory comparisons. Electron energy loss spectroscopy (EELS) and spectroscopic ellipsometry measurements reveal that tetrahedral amorphous carbon (ta-C) films with the most diamond-like properties are obtained at the C ion kinetic energy of {approximately}90 eV. Film properties are uniform within a 12-15{degree} angle from the plume centerline. Tapping-mode atomic force microscope measurements show that films deposited at near-optimum kinetic energy are extremely smooth, with rms roughness of only {approximately} 1 {angstrom} over distances of several hundred nm. Field emission (FE) measurements show that ta-C does not appear to be a good electron emitter. After conditioning of ta-C films deposited on n-type Si a rather high turn-on voltage of {approximately}50 V/{micro}m was required to draw current of {approximately}1 nA to the probe. The emission was unstable and typically ceased after a few minutes of operation. The FE tests of ta-C and other materials strongly suggest that surface morphology plays a dominant role in the FE process, in agreement with conventional Fowler-Nordheim theory.

  16. Photoinduced charge-transfer materials for nonlinear optical applications

    DOE Patents [OSTI]

    McBranch, Duncan W.

    2006-10-24

    A method using polyelectrolyte self-assembly for preparing multi-layered organic molecular materials having individual layers which exhibit ultrafast electron and/or energy transfer in a controlled direction occurring over the entire structure. Using a high molecular weight, water-soluble, anionic form of poly-phenylene vinylene, self-assembled films can be formed which show high photoluminescence quantum efficiency (QE). The highest emission QE is achieved using poly(propylene-imine) (PPI) dendrimers as cationic binders. Self-quenching of the luminescence is observed as the solid polymer film thickness is increased and can be reversed by inserting additional spacer layers of transparent polyelectrolytes between each active conjugated layer, such that the QE grows with thickness. A red shift of the luminescence is also observed as additional PPV layers are added. This effect persists as self-quenching is eliminated. Charge transfer superlattices can be formed by additionally incorporating C.sub.60 acceptor layers.

  17. Variable dimensionality in the uranium fluoride/2-methyl-piperazine system: Synthesis and structures of UFO-5, -6, and -7; Zero-, one-, and two-dimensional materials with unprecedented topologies

    SciTech Connect (OSTI)

    Francis, R.J.; Halasyamani, P.S.; Bee, J.S.; O'Hare, D.

    1999-02-24

    Recently, low temperature (T < 300 C) hydrothermal reactions of inorganic precursors in the presence of organic cations have proven highly productive for the synthesis of novel solid-state materials. Interest in these materials is driven by the astonishingly diverse range of structures produced, as well as by their many potential materials chemistry applications. This report describes the high yield, phase pure hydrothermal syntheses of three new uranium fluoride phases with unprecedented structure types. Through the systematic control of the synthesis conditions the authors have successfully controlled the architecture and dimensionality of the phase formed and selectively synthesized novel zero-, one-, and two-dimensional materials.

  18. Diagnostic Studies to Improve Abuse Tolerance and the Synthesis...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    the Synthesis of New Electrolyte Materials Diagnostic Studies to Improve Abuse Tolerance and the Synthesis of New Electrolyte Materials 2009 DOE Hydrogen Program and Vehicle ...

  19. Design and Synthesis of Nucleobase-Incorporated Metal-Organic...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Design and Synthesis of Nucleobase-Incorporated Metal-Organic Materials Previous Next List ... Design and Synthesis of Nucleobase-Incorporated Metal-Organic Materials. Inorg. Chem. ...

  20. Integrating theory, synthesis, spectroscopy and device efficiency to design and characterize donor materials for organic photovoltaics: a case study including 12 donors

    SciTech Connect (OSTI)

    Oosterhout, S. D.; Kopidakis, N.; Owczarczyk, Z. R.; Braunecker, W. A.; Larsen, R. E.; Ratcliff, E. L.; Olson, D. C.

    2015-04-07

    There have been remarkable improvements in the power conversion efficiency of solution-processable Organic Photovoltaics (OPV) have largely been driven by the development of novel narrow bandgap copolymer donors comprising an electron-donating (D) and an electron-withdrawing (A) group within the repeat unit. The large pool of potential D and A units and the laborious processes of chemical synthesis and device optimization, has made progress on new high efficiency materials slow with a few new efficient copolymers reported every year despite the large number of groups pursuing these materials. In our paper we present an integrated approach toward new narrow bandgap copolymers that uses theory to guide the selection of materials to be synthesized based on their predicted energy levels, and time-resolved microwave conductivity (TRMC) to select the best-performing copolymer–fullerene bulk heterojunction to be incorporated into complete OPV devices. We validate our methodology by using a diverse group of 12 copolymers, including new and literature materials, to demonstrate good correlation between (a) theoretically determined energy levels of polymers and experimentally determined ionization energies and electron affinities and (b) photoconductance, measured by TRMC, and OPV device performance. The materials used here also allow us to explore whether further copolymer design rules need to be incorporated into our methodology for materials selection. For example, we explore the effect of the enthalpy change (ΔH) during exciton dissociation on the efficiency of free charge carrier generation and device efficiency and find that ΔH of -0.4 eV is sufficient for efficient charge generation.

  1. Integrating theory, synthesis, spectroscopy and device efficiency to design and characterize donor materials for organic photovoltaics: a case study including 12 donors

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Oosterhout, S. D.; Kopidakis, N.; Owczarczyk, Z. R.; Braunecker, W. A.; Larsen, R. E.; Ratcliff, E. L.; Olson, D. C.

    2015-04-07

    There have been remarkable improvements in the power conversion efficiency of solution-processable Organic Photovoltaics (OPV) have largely been driven by the development of novel narrow bandgap copolymer donors comprising an electron-donating (D) and an electron-withdrawing (A) group within the repeat unit. The large pool of potential D and A units and the laborious processes of chemical synthesis and device optimization, has made progress on new high efficiency materials slow with a few new efficient copolymers reported every year despite the large number of groups pursuing these materials. In our paper we present an integrated approach toward new narrow bandgap copolymersmore » that uses theory to guide the selection of materials to be synthesized based on their predicted energy levels, and time-resolved microwave conductivity (TRMC) to select the best-performing copolymer–fullerene bulk heterojunction to be incorporated into complete OPV devices. We validate our methodology by using a diverse group of 12 copolymers, including new and literature materials, to demonstrate good correlation between (a) theoretically determined energy levels of polymers and experimentally determined ionization energies and electron affinities and (b) photoconductance, measured by TRMC, and OPV device performance. The materials used here also allow us to explore whether further copolymer design rules need to be incorporated into our methodology for materials selection. For example, we explore the effect of the enthalpy change (ΔH) during exciton dissociation on the efficiency of free charge carrier generation and device efficiency and find that ΔH of -0.4 eV is sufficient for efficient charge generation.« less

  2. Photopumped red-emitting InP/In{sub 0.5}Al{sub 0.3}Ga{sub 0.2}P self-assembled quantum dot heterostructure lasers grown by metalorganic chemical vapor deposition

    SciTech Connect (OSTI)

    Ryou, J. H.; Dupuis, R. D.; Walter, G.; Kellogg, D. A.; Holonyak, N.; Mathes, D. T.; Hull, R.; Reddy, C. V.; Narayanamurti, V.

    2001-06-25

    We report the 300 K operation of optically pumped red-emitting lasers fabricated from InP self-assembled quantum dots embedded in In{sub 0.5}Al{sub 0.3}Ga{sub 0.2}P layers on GaAs (100) substrates grown by metalorganic chemical vapor deposition. Quantum dots grown at 650{degree}C on In{sub 0.5}Al{sub 0.3}Ga{sub 0.2}P layers have a high density on the order of 10{sup 10} cm{sup {minus}2} and the dominant size of individual quantum dots ranges from {similar_to}5 to {similar_to}10 nm for 7.5 monolayer {open_quotes}equivalent growth.{close_quotes} These InP/In{sub 0.5}Al{sub 0.3}Ga{sub 0.2}P quantum dot heterostructures are characterized by atomic force microscopy, high-resolution transmission electron microscopy, and photoluminescence. Laser structures are prepared from wafers having two vertically stacked InP quantum dot active layers within a 100-nm-thick In{sub 0.5}Al{sub 0.3}Ga{sub 0.2}P waveguide and upper and lower 600 nm InAlP cladding layers. We observe lasing at {lambda}{similar_to}680 nm at room temperature in optically pumped samples. {copyright} 2001 American Institute of Physics.

  3. Microstructural, magnetic, and optical properties of the self-assembled (III{sub 1-x}Mn{sub x})V quantum structure

    SciTech Connect (OSTI)

    Jeon, H. C.; Lee, S. J.; Kang, T. W.

    2010-01-04

    Diluted magnetic semiconductor (DMS) materials have attracted much attention because of the interest in both investigations of fundamental physical properties and promising applications for various spintronic devices. Among many DMS structures, (III{sub 1-x}Mn{sub x})V ferromagnetic semiconductor quantum structures have been particularly attractive due to their potential applications in spintronic devices and they have combined properties of both III-V semiconductors and Mn ferromagnetic compounds, and the excellent advantages derived by utilizing mature III-V based heterostructure technology. Even though not many papers have been reported on the formation of one layer of (III{sub 1-x}Mn{sub x})V Quantum structure-Quantum Dots(QDs) and Quantum Wires(Q-Wire), systematic studies concerning microstructural, magnetic, and optical properties of the (III{sub 1-x}Mn{sub x})V quantum structure have been more attractive because of the interest in promising applications in optoelectronic devices, such as spin injection lasers and spin switching devices.

  4. Low temperature synthesis of diamond-based nano-carbon composite materials with high electron field emission properties

    SciTech Connect (OSTI)

    Saravanan, A.; Huang, B. R.; Yeh, C. J.; Leou, K. C.; Lin, I. N.

    2015-06-08

    A diamond-based nano-carbon composite (d/NCC) material, which contains needle-like diamond grains encased with the nano-graphite layers, was synthesized at low substrate temperature via a bias enhanced growth process using CH{sub 4}/N{sub 2} plasma. Such a unique granular structure renders the d/NCC material very conductive (??=?714.8?S/cm), along with superior electron field emission (EFE) properties (E{sub 0}?=?4.06?V/?m and J{sub e}?=?3.18?mA/cm{sup 2}) and long lifetime (??=?842?min at 2.41?mA/cm{sup 2}). Moreover, the electrical conductivity and EFE behavior of d/NCC material can be tuned in a wide range that is especially useful for different kind of applications.

  5. Design and synthesis of nucleobase-incorporated metal-organic...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Design and synthesis of nucleobase-incorporated metal-organic materials Previous Next List ... This work also offers a general perspective for the design and synthesis of ...

  6. Self-assembly of ordered wurtzite/rock salt heterostructures—A new view on phase separation in Mg{sub x}Zn{sub 1−x}O

    SciTech Connect (OSTI)

    Gries, K. I.; Vogel, S.; Straubinger, R.; Beyer, A.; Chernikov, A.; Chatterjee, S.; Volz, K.; Wassner, T. A.; Bruckbauer, J.; Häusler, I.; Laumer, B.; Kracht, M.; Heiliger, C.; Eickhoff, M.; Janek, J.

    2015-07-28

    The self-assembled formation of ordered, vertically stacked rocksalt/wurtzite Mg{sub x}Zn{sub 1−x}O heterostructures by planar phase separation is shown. These heterostructures form quasi “natural” two-dimensional hetero-interfaces between the different phases upon annealing of MgO-oversaturated wurtzite Mg{sub x}Zn{sub 1−x}O layers grown by plasma-assisted molecular beam epitaxy on c-plane sapphire substrates. The optical absorption spectra show a red shift simultaneous with the appearance of a cubic phase upon annealing at temperatures between 900 °C and 1000 °C. Transmission electron microscopy reveals that these effects are caused by phase separation leading to the formation of a vertically ordered rock salt/wurtzite heterostructures. To explain these observations, we suggest a phase separation epitaxy model that considers this process being initiated by the formation of a cubic (Mg,Zn)Al{sub 2}O{sub 4} spinel layer at the interface to the sapphire substrate, acting as a planar seed for the epitaxial precipitation of rock salt Mg{sub x}Zn{sub 1−x}O. The equilibrium fraction x of magnesium in the resulting wurtzite (rock salt) layers is approximately 0.15 (0.85), independent of the MgO content of the as-grown layer and determined by the annealing temperature. This model is confirmed by photoluminescence analysis of the resulting layer systems after different annealing temperatures. In addition, we show that the thermal annealing process results in a significant reduction in the density of edge- and screw-type dislocations, providing the possibility to fabricate high quality templates for quasi-homoepitaxial growth.

  7. Adaptable Computing Environment/Self-Assembling Software

    Energy Science and Technology Software Center (OSTI)

    2007-09-25

    Complex software applications are difficult to learn to use and to remember how to use. Further, the user has no control over the functionality available in a given application. The software we use can be created and modified only by a relatively small group of elite, highly skilled artisans known as programmers. "Normal users" are powerless to create and modify software themselves, because the tools for software development, designed by and for programmers, are amore » barrier to entry. This software, when completed, will be a user-adaptable computing environment in which the user is really in control of his/her own software, able to adapt the system, make new parts of the system interactive, and even modify the behavior of the system itself. Som key features of the basic environment that have been implemented are (a) books in bookcases, where all data is stored, (b) context-sensitive compass menus (compass, because the buttons are located in compass directions relative to the mouose cursor position), (c) importing tabular data and displaying it in a book, (d) light-weight table querying/sorting, (e) a Reach&Get capability (sort of a "smart" copy/paste that prevents the user from copying invalid data), and (f) a LogBook that automatically logs all user actions that change data or the system itself. To bootstrap toward full end-user adaptability, we implemented a set of development tools. With the development tools, compass menus can be made and customized.« less

  8. A new copper borophosphate with novel polymeric chains and its structural correlation with raw materials in molten hydrated flux synthesis

    SciTech Connect (OSTI)

    Duan, Ruijing; Liu, Wei Cao, Lixin; Su, Ge; Xu, Hongmei; Zhao, Chenggong

    2014-02-15

    A novel copper borophosphate, Cu{sub 3}[B{sub 2}P{sub 3}O{sub 12}(OH){sub 3}] has been prepared by the molten hydrated flux method. Its crystal structure was determined by the single-crystal X-ray diffraction (monoclinic, Cc, a=6.1895 Å, b=13.6209 Å, c=11.9373 Å, β=97.62°, V=997.5 Å{sup 3}, Z=4). The three-dimensional framework of the titled compound, is composed by two kinds of polymeric chains and isolated PO{sub 4} tetrahedral. One novel 4-membered tetrahedral rings has been observed in borophosphates. Magnetic measurements indicate that the title compound exits antiferromagnetic interactions. Due to the special reaction medium created by the molten hydrated flux method, a possible structural correlation between the final solids and the raw materials has been noted. - Graphical abstract: The 3D structure consists of a framework composed of CuO{sub x} polyhedra, BO{sub 4} and PO{sub 4} tetrahedra. A intersection angle between the metal chains and borophosphate chains can be noted. Display Omitted - Highlights: • A novel copper borophosphate has been prepared by the molten hydrated flux method. • One novel 4-membered tetrahedral ring has been observed firstly in borophosphates. • A possible structural correlation between the final solids and the raw materials has been noted.

  9. The Ames Laboratory Creating Materials and Energy Solutions

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Material? The Ames Laboratory has the nation's most comprehensive facilities for advanced materials synthesis. We enable science through our synthesis capabilities and new innovations in the science of synthesis. Alloy synthesis: Alloys never before made or difficult to prepare are our specialty. From casting to inert solid-state synthesis to thin-film deposition, we can do it all. Our capabilities include synthesis under inert conditions, mechano-chemical milling and spark erosion synthesis.

  10. Electronic & Magnetic Materials & Devices | Argonne National...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    laser spectroscopy, molecular beam epitaxy, and novel approaches for hybrid, organic and nanoparticle materials synthesis. Research activities include: Low-dimensional materials...

  11. Materials Synthesis and Integrated Devices

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    program. Contact Us Group Leader Andrew Dattelbaum Email Deputy Group Leader George Goff Email Deputy Group Leader Jeff Willis Email Group Office (505) 665-9330 Find Expertise...

  12. Applied Materials | Argonne National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    to apply the resulting insights to the design, synthesis, and testing of materials with improved properties and performance, including accident-tolerant and higher burn-up fuels. ...

  13. Materials Videos

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Materials Videos Materials

  14. Materials | Argonne National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Materials Innovating tomorrow's materials today New high-tech materials are the key to breakthroughs in biology, the environment, nuclear energy, transportation and national security. Argonne continues to make revolutionary advances in the science of materials discovery and synthesis, and is designing new materials with advantageous properties - one atom at a time. Examples of these include Argonne's patented technologies for nanoparticle applications, heat transfer and materials for advanced

  15. Green Synthesis of Ag and Pd Nanospheres, Nanowires, and Nanorods Using VitaminB2: Catalytic Polymerisation of Aniline and Pyrrole

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Nadagouda, Mallikarjuna N.; Varma, Rajender S.

    2008-01-01

    For the first time, we report green chemistry approach using vitaminB2in the synthesis of silver (Ag) and palladium (Pd), nanospheres, nanowires, and nanorods at room temperature without using any harmful reducing agents, such as sodium borohydride (NaBH4) or hydroxylamine hydrochloride and any special capping or dispersing agent. VitaminB2was used as reducing agent as well as capping agent due to its high-water solubility, biodegradability, and low-toxicity compared with other reducing agents. The average particle size of nanoprticle was found to be Ag (average size 6.10.1?nm) and Pd (average size 4.10.1?nm) nanoparticles in ethylene glycol and Agmore(average size 5.90.1?nm, and average size 6.10.1) nanoparticles in acetic acid and NMP, respectively. The formation of noble multiple shape nanostructures and their self assembly were dependent on the solvent employed for the preparation. When water was used as solvent media, Ag and Pd nanoparticles started to self-assemble into rod-like structures and in isopropanol Ag and Pd nanoparticles yielded wire-like structures with a thickness in the range of 10 to 20?nm and several hundred microns in length. In acetone and acetonitrile medium, the Ag and Pd nanoparticles are self-assembled into a regular pattern making nanorod structures with thicknesses ranging from 100 to 200?nm and lengths of a few microns. The so-synthesized nanostructures were characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X-ray (EDX) analysis, and UV spectroscopy. The ensuing Ag and Pd nanoparticles catalyzed the reactions of aniline and pyrrole to generate polyaniline and polypyrrole nanofibers and may find various technological and biological applications. This single-step greener approach is general and can be extended to other noble metals and transition metal oxides.less

  16. Perovskite-Fullerene Hybrid Materials Eliminate Hysteresis In Planar Diodes

    SciTech Connect (OSTI)

    Xu, Jixian; Buin, Andrei; Ip, Alexander H.; Li, Wei; Voznyy, Oleksandr; Comin, Riccardo; Yuan, Mingjian; Jeon, Seokmin; Ning, Zhijun; McDowell, Jeffrey; Kanjanaboos, Pongsakorn; Sun, Jon-Paul; Lan, Xinzheng; Quan, Li Na; Kim, Dong Ha; Hill, Ian; Maksymovych, Petro; Sargent, Edward H.

    2015-03-31

    Solution-processed planar perovskite devices are highly desirable in a wide variety of optoelectronic applications; however, they are prone to hysteresis and current instabilities. Here we report the first perovskite–PCBM hybrid solid with significantly reduced hysteresis and recombination loss achieved in a single step. This new material displays an efficient electrically coupled microstructure: PCBM is homogeneously distributed throughout the film at perovskite grain boundaries. The PCBM passivates the key PbI3 antisite defects during the perovskite self-assembly, as revealed by theory and experiment. Photoluminescence transient spectroscopy proves that the PCBM phase promotes electron extraction. We showcase this mixed material in planar solar cells that feature low hysteresis and enhanced photovoltage. Using conductive AFM studies, we reveal the memristive properties of perovskite films. We close by positing that PCBM, by tying up both halide-rich antisites and unincorporated halides, reduces electric field-induced anion migration that may give rise to hysteresis and unstable diode behaviour.

  17. The Center for Nanophase Materials Sciences (Other) | SciTech...

    Office of Scientific and Technical Information (OSTI)

    National Laboratory (ORNL) integrates nanoscale science with neutron science; synthesis ... environment for research to understand nanoscale materials and phenomena. ...

  18. CNEEC - Flame Synthesis Tutorial by Xiaolin Zheng

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Flame Synthesis of Nanomaterials

  19. Combustion synthesis method and products

    DOE Patents [OSTI]

    Holt, J.B.; Kelly, M.

    1993-03-30

    Disclosed is a method of producing dense refractory products, comprising: (a) obtaining a quantity of exoergic material in powder form capable of sustaining a combustion synthesis reaction; (b) removing absorbed water vapor therefrom; (c) cold-pressing said material into a formed body; (d) plasma spraying said formed body with a molten exoergic material to form a coat thereon; and (e) igniting said exoergic coated formed body under an inert gas atmosphere and pressure to produce self-sustained combustion synthesis. Also disclosed are products produced by the method.

  20. Combustion synthesis method and products

    DOE Patents [OSTI]

    Holt, J. Birch; Kelly, Michael

    1993-01-01

    Disclosed is a method of producing dense refractory products, comprising: (a) obtaining a quantity of exoergic material in powder form capable of sustaining a combustion synthesis reaction; (b) removing absorbed water vapor therefrom; (c) cold-pressing said material into a formed body; (d) plasma spraying said formed body with a molten exoergic material to form a coat thereon; and (e) igniting said exoergic coated formed body under an inert gas atmosphere and pressure to produce self-sustained combustion synthesis. Also disclosed are products produced by the method.

  1. Two Novel Ultra-Incompressible Materials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    cutting material made of iron. Though much effort has been exerted to find affordable synthesis routes for diamond, it generally requires high pressure and temperature, as do most...

  2. Proactive Strategies for Designing Thermoelectric Materials for...

    Broader source: Energy.gov (indexed) [DOE]

    New p-type and n-type multiple-rattler skutterudite thermoelectric materials design, synthesis, fabrication, and characterization for power generation using vehicle exhaust waste ...

  3. Making, Measuring, and Modeling Materials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Making, Measuring, and Modeling Materials Making, Measuring, and Modeling Materials M4 facility aims to accelerate the transition from observation to control of materials providing unique synthesis and characterization tools to advance the frontiers of materials design and discovery. CONTACT Mark Bourke (505) 667-9667 Email Predicting and Controlling Materials' Performance MaRIE's Making, Measuring, and Modeling Materials (M4) Facility aims to accelerate the transition from observation to

  4. Energy Materials Network Overview

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    30 th , 2016 2 MGI - Framework New Material Innovations for Clean Energy 2X Faster and 2X Cheaper Predictive Simulation Across Scales Synthesis & Characterization Rapid Screening End Use Performance Process Scalability Process Control Real-time Characterization Reliability Validation Data Management & Informatics Coordinated resource network with a suite of capabilities for advanced materials R&D In Support of the Materials Genome Initiative (MGI) 3 Network Requirements 1. WORLD

  5. Rapid synthesis of monodispersed highly porous spinel nickel cobaltite (NiCo{sub 2}O{sub 4}) electrode material for supercapacitors

    SciTech Connect (OSTI)

    Naveen, A. Nirmalesh Selladurai, S.

    2015-06-24

    Monodispersed highly porous spinel nickel cobaltite electrode material was successfully synthesized in a short time using combustion technique. Single phase cubic nature of the spinel nickel cobaltite with average crystallite size of 24 nm was determined from X-ray diffraction study. Functional groups present in the compound were determined from FTIR study and it further confirms the spinel formation. FESEM images reveal the porous nature of the prepared material and uniform size distribution of the particles. Electrochemical evaluation was performed using Cyclic Voltammetry (CV) technique, Chronopotentiometry (CP) and Electrochemical Impedance Spectroscopy (EIS). Results reveal the typical pseudocapacitive behaviour of the material. Maximum capacitance of 754 F/g was calculated at the scan rate of 5 mV/s, high capacitance was due to the unique porous morphology of the electrode. Nyquist plot depicts the low resistance and good electrical conductivity of nickel cobaltite. It has been found that nickel cobaltite prepared by this typical method will be a potential electrode material for supercapcitor application.

  6. Methods of synthesizing thermoelectric materials

    DOE Patents [OSTI]

    Ren, Zhifeng; Chen, Shuo; Liu, Wei-Shu; Wang, Hengzhi; Wang, Hui; Yu, Bo; Chen, Gang

    2016-04-05

    Methods for synthesis of thermoelectric materials are disclosed. In some embodiments, a method of fabricating a thermoelectric material includes generating a plurality of nanoparticles from a starting material comprising one or more chalcogens and one or more transition metals; and consolidating the nanoparticles under elevated pressure and temperature, wherein the nanoparticles are heated and cooled at a controlled rate.

  7. Green Synthesis of Ag and Pd Nanospheres, Nanowires, and Nanorods Using Vitamin B 2 : Catalytic Polymerisation of Aniline and Pyrrole

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Nadagouda, Mallikarjuna N.; Varma, Rajender S.

    2008-01-01

    Formore » the first time, we report green chemistry approach using vitamin B 2 in the synthesis of silver (Ag) and palladium (Pd), nanospheres, nanowires, and nanorods at room temperature without using any harmful reducing agents, such as sodium borohydride ( NaBH 4 ) or hydroxylamine hydrochloride and any special capping or dispersing agent. Vitamin B 2 was used as reducing agent as well as capping agent due to its high-water solubility, biodegradability, and low-toxicity compared with other reducing agents. The average particle size of nanoprticle was found to be Ag (average size 6.1 ± 0.1 nm) and Pd (average size 4.1 ± 0.1 nm) nanoparticles in ethylene glycol and Ag (average size 5.9 ± 0.1 nm, and average size 6.1 ± 0.1) nanoparticles in acetic acid and NMP, respectively. The formation of noble multiple shape nanostructures and their self assembly were dependent on the solvent employed for the preparation. When water was used as solvent media, Ag and Pd nanoparticles started to self-assemble into rod-like structures and in isopropanol Ag and Pd nanoparticles yielded wire-like structures with a thickness in the range of 10 to 20 nm and several hundred microns in length. In acetone and acetonitrile medium, the Ag and Pd nanoparticles are self-assembled into a regular pattern making nanorod structures with thicknesses ranging from 100 to 200 nm and lengths of a few microns. The so-synthesized nanostructures were characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X-ray (EDX) analysis, and UV spectroscopy. The ensuing Ag and Pd nanoparticles catalyzed the reactions of aniline and pyrrole to generate polyaniline and polypyrrole nanofibers and may find various technological and biological applications. This single-step greener approach is general and can be extended to other noble metals and transition metal oxides.« less

  8. Synthesis and structural characterization of a new chiral porous hybrid organic–inorganic material based on γ-zirconium phosphates and L-(+)-phosphoserine

    SciTech Connect (OSTI)

    Alhendawi, Hussein M.H.

    2013-05-01

    In the present work, a chiral layered derivative of γ-zirconium phosphate (γ-ZrP) containing L-(+)-phosphoserine (γ-ZrP-PS*) covalently attached to inorganic layers has been prepared by means of topotactic exchange reaction. This organic–inorganic derivative is characterized by X-ray diffractometry, Solid {sup 13}C–NMR and FT-IR spectrophotometries and thermal analyses. A maximum level of topotactic replacement of 20% is achieved. Under both the acidic environment of the interlayer region of γ-ZrP and the acidic synthesis conditions, the hydrolysis of the ester bond of PS* is expected to take place to some extent. For this reason, it was impossible to exceed the recent percentage, which in turn reflects the relative moderate stability of the above mentioned bond under these conditions. In order to be more certain with regard to an expected further hydrolysis for this bond after separation, a sample of γ-ZrP-PS* was stored in a desiccator over a saturated solution of BaCl{sub 2} (90% relative humidity) for three months, and then the sample re-analyzed once again. Surprisingly, the results show that the sample still keeps almost the same level of exchange (i.e., 20%). Second, it is revealed that the sample almost gives the same spectroscopic and thermal behavior. This could be attributed to the less acidic character of the partially exchanged inorganic layers of the sample in comparison with that of the precursor γ-ZrP. Therefore, the PS* molecules persist and stay there into the interlayer gallery without further hydrolysis. - Graphical abstract: • Red: oxygen • White: zirconium • Cyan: carbon • Yellow: phosphorus • Blue: nitrogen. Highlights: • L-(+)-Phosphoserine (PS*) is exchanged with γ-ZrP by means of topotactic exchange. • The maximum exchange level is 20%. • γ-ZrP is functionalized with chiral amino acid group. • γ-ZrP-PS* has large chiral space for huge guest molecules to be intercalated.

  9. Solvothermal synthesis of NiAl double hydroxide microspheres on a nickel foam-graphene as an electrode material for pseudo-capacitors

    SciTech Connect (OSTI)

    Momodu, Damilola; Bello, Abdulhakeem; Dangbegnon, Julien; Barzeger, Farshad; Taghizadeh, Fatimeh; Fabiane, Mopeli; Manyala, Ncholu; Johnson, A. T. Charlie

    2014-09-15

    In this paper, we demonstrate excellent pseudo-capacitance behavior of nickel-aluminum double hydroxide microspheres (NiAl DHM) synthesized by a facile solvothermal technique using tertbutanol as a structure-directing agent on nickel foam-graphene (NF-G) current collector as compared to use of nickel foam current collector alone. The structure and surface morphology were studied by X-ray diffraction analysis, Raman spectroscopy and scanning and transmission electron microscopies respectively. NF-G current collector was fabricated by chemical vapor deposition followed by an ex situ coating method of NiAl DHM active material which forms a composite electrode. The pseudocapacitive performance of the composite electrode was investigated by cyclic voltammetry, constant chargedischarge and electrochemical impedance spectroscopy measurements. The composite electrode with the NF-G current collector exhibits an enhanced electrochemical performance due to the presence of the conductive graphene layer on the nickel foam and gives a specific capacitance of 1252 F g{sup ?1} at a current density of 1 A g{sup ?1} and a capacitive retention of about 97% after 1000 chargedischarge cycles. This shows that these composites are promising electrode materials for energy storage devices.

  10. Synthesis, characterization of double perovskite Ca{sub 2}MSbO{sub 6} (M = Dy, Fe, Cr, Al) materials via sol–gel auto-combustion and their catalytic properties

    SciTech Connect (OSTI)

    Feraru, S.; Samoila, P.; Borhan, A.I.; Ignat, M.; Iordan, A.R.; Palamaru, M.N.

    2013-10-15

    Double perovskite-type oxide Ca{sub 2}MSbO{sub 6} materials, where M = Dy, Fe, Cr, and Al, were prepared by using the sol–gel auto-combustion method. The role of different B-site cations on their synthesis, structures, morphologies and catalytic properties was investigated. The progress of double-perovskite type structure formation and the disappearance of the organic phases were monitored by infrared absorption spectroscopy (FTIR). Double perovskite oxide structures were evaluated using X-ray diffraction (XRD), while the microstructure of obtained compounds was studied using scanning electron microscopy (SEM). Also, BET surface areas were measured at the liquid nitrogen temperature by nitrogen adsorption. Catalytic properties of the obtained compounds were evaluated by test reaction of hydrogen peroxide decomposition. - Highlights: • Ca{sub 2}MSbO{sub 6} double perovskites were obtained by sol–gel auto-combustion method. • Ca{sub 2}MSbO{sub 6} (M = Dy, Fe, Cr and Al) as catalysts in H{sub 2}O{sub 2} decomposition • Strong relationship between particles' shape, BET area and catalytic performance • Ca{sub 2}FeSbO{sub 6} spherical grains show superior catalytic activity.

  11. Nanobio Interfaces Capabilities | Argonne National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Nanobio Interfaces Capabilities Synthesis Synthesis of metal oxide, semiconducting, metallic, and magnetic nanoparticles Self-assembly of monodisperse nanoparticles into two- and...

  12. Synthesis of nickel oxide nanospheres by a facile spray drying method and their application as anode materials for lithium ion batteries

    SciTech Connect (OSTI)

    Xiao, Anguo Zhou, Shibiao; Zuo, Chenggang; Zhuan, Yongbing; Ding, Xiang

    2015-10-15

    Graphical abstract: NiO nanospheres prepared by a facile spray drying method show high lithium ion storage performance as anode of lithium ion battery. - Highlights: • NiO nanospheres are prepared by a spray drying method. • NiO nanospheres are composed of interconnected nanoparticles. • NiO nanospheres show good lithium ion storage properties. - Abstract: Fabrication of advanced anode materials is indispensable for construction of high-performance lithium ion batteries. In this work, nickel oxide (NiO) nanospheres are fabricated by a facial one-step spray drying method. The as-prepared NiO nanospheres show diameters ranging from 100 to 600 nm and are composed of nanoparticles of 30–50 nm. As an anode for lithium ion batteries, the electrochemical properties of the NiO nanospheres are investigated by cyclic voltammetry (CV) and galvanostatic charge/discharge tests. The specific reversible capacity of NiO nanospheres is 656 mA h g{sup −1} at 0.1 C, and 476 mA h g{sup −1} at 1 C. The improvement of electrochemical properties is attributed to nanosphere structure with large surface area and short ion/electron transfer path.

  13. Hierarchical hollow microsphere and flower-like indium oxide: Controllable synthesis and application as H{sub 2}S cataluminescence sensing materials

    SciTech Connect (OSTI)

    Cai, Pingyang; Bai, Wei; Zhang, Lichun; Song, Hongjie; Su, Yingying; Lv, Yi

    2012-09-15

    Graphical abstract: Hierarchical hollow microsphere and flower-like In{sub 2}O{sub 3} were controllable fabricated through a novel and simple hydrothermal process, and the former showed superior cataluminescence sensing performance to H{sub 2}S. Highlights: ► In{sub 2}O{sub 3} hierarchical hollow sphere were prepared via a hydrothermal route. ► The growth process of In{sub 2}O{sub 3} hierarchical hollow sphere has been investigated. ► The sensor based on prepared In{sub 2}O{sub 3} shows good sensing performance to H{sub 2}S. -- Abstract: In the present work, In{sub 2}O{sub 3} hierarchical hollow microsphere and flower-like microstructure were achieved controllably by a hydrothermal process in the sodium dodecyl sulfate (SDS)-N,N-dimethyl-formamide (DMF) system. XRD, SEM, HRTEM and N{sub 2} adsorption measurements were used to characterize the as-prepared indium oxide materials and the possible mechanism for the microstructures formation was briefly discussed. The cataluminescence gas sensor based on the as-prepared In{sub 2}O{sub 3} was utilized to detect H{sub 2}S concentrations in flowing air. Comparative gas sensing results revealed that the sensor based on hierarchical hollow microsphere exhibited much higher sensing sensitivity in detecting H{sub 2}S gas than the sensor based on flower-like microstructure. The present gas sensor had a fast response time of 5 s and a recovery time of less than 25 s, furthermore, the cataluminescence intensity vs. H{sub 2}S concentration was linear in range of 2–20 μg mL{sup −1} with a detection limit of 0.5 μg mL{sup −1}. The present highly sensitive, fast-responding, and low-cost In{sub 2}O{sub 3}-based gas sensor for H{sub 2}S would have many practical applications.

  14. Sphericity and symmetry breaking in the formation of Frank–Kasper phases from one component materials

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lee, Sangwoo; Leighton, Chris; Bates, Frank S.

    2014-11-05

    Frank–Kasper phases are tetrahedrally packed structures occurring in numerous materials, from elements to intermetallics to self-assembled soft materials. They exhibit complex manifolds of Wigner–Seitz cells with many-faceted polyhedra, forming an important bridge between the simple close-packed periodic and quasiperiodic crystals. The recent discovery of the Frank–Kasper σ-phase in diblock and tetrablock polymers stimulated the experiments reported here on a poly(isoprene-b-lactide) diblock copolymer melt. Thus, analysis of small-angle X-ray scattering and mechanical spectroscopy exposes an undiscovered competition between the tendency to form self-assembled particles with spherical symmetry, and the necessity to fill space at uniform density within the framework imposed bymore » the lattice. We thus deduce surprising analogies between the symmetry breaking at the body-centered cubic phase to σ-phase transition in diblock copolymers, mediated by exchange of mass, and the symmetry breaking in certain metals and alloys (such as the elements Mn and U), mediated by exchange of charge. Similar connections are made between the role of sphericity in real space for polymer systems, and the role of sphericity in reciprocal space for metallic systems such as intermetallic compounds and alloys. These findings establish new links between disparate materials classes, provide opportunities to improve the understanding of complex crystallization by building on synergies between hard and soft matter, and, perhaps most significantly, challenge the view that the symmetry breaking required to form reduced symmetry structures (possibly even quasiperiodic crystals) requires particles with multiple predetermined shapes and/or sizes.« less

  15. Sphericity and symmetry breaking in the formation of Frank–Kasper phases from one component materials

    SciTech Connect (OSTI)

    Lee, Sangwoo; Leighton, Chris; Bates, Frank S.

    2014-11-05

    Frank–Kasper phases are tetrahedrally packed structures occurring in numerous materials, from elements to intermetallics to self-assembled soft materials. They exhibit complex manifolds of Wigner–Seitz cells with many-faceted polyhedra, forming an important bridge between the simple close-packed periodic and quasiperiodic crystals. The recent discovery of the Frank–Kasper σ-phase in diblock and tetrablock polymers stimulated the experiments reported here on a poly(isoprene-b-lactide) diblock copolymer melt. Thus, analysis of small-angle X-ray scattering and mechanical spectroscopy exposes an undiscovered competition between the tendency to form self-assembled particles with spherical symmetry, and the necessity to fill space at uniform density within the framework imposed by the lattice. We thus deduce surprising analogies between the symmetry breaking at the body-centered cubic phase to σ-phase transition in diblock copolymers, mediated by exchange of mass, and the symmetry breaking in certain metals and alloys (such as the elements Mn and U), mediated by exchange of charge. Similar connections are made between the role of sphericity in real space for polymer systems, and the role of sphericity in reciprocal space for metallic systems such as intermetallic compounds and alloys. These findings establish new links between disparate materials classes, provide opportunities to improve the understanding of complex crystallization by building on synergies between hard and soft matter, and, perhaps most significantly, challenge the view that the symmetry breaking required to form reduced symmetry structures (possibly even quasiperiodic crystals) requires particles with multiple predetermined shapes and/or sizes.

  16. Sandia National Laboratories: Careers: Materials Science

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Materials Science Materials science worker Sandia materials scientists are creating scientifically tailored materials for U.S. energy applications and critical defense needs. Sandia's focus on scientifically tailored materials capitalizes on our expertise in solid-state sciences, advanced atomic-level diagnostics, and materials synthesis and processing science. Our research uses Sandia's experimental, theoretical, and computational capabilities to establish the state of the art in materials

  17. Synthesis of porphyrin nanostructures

    DOE Patents [OSTI]

    Fan, Hongyou; Bai, Feng

    2014-10-28

    The present disclosure generally relates to self-assembly methods for generating porphyrin nanostructures. For example, in one embodiment a method is provided that includes preparing a porphyrin solution and a surfactant solution. The porphyrin solution is then mixed with the surfactant solution at a concentration sufficient for confinement of the porphyrin molecules by the surfactant molecules. In some embodiments, the concentration of the surfactant is at or above its critical micelle concentration (CMC), which allows the surfactant to template the growth of the nanostructure over time. The size and morphology of the nanostructures may be affected by the type of porphyrin molecules used, the type of surfactant used, the concentration of the porphyrin and surfactant the pH of the mixture of the solutions, and the order of adding the reagents to the mixture, to name a few variables.

  18. Nanohybrid Solar Cells Consisting of Self-Assembled Semiconducting...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Single-Wall Carbon Nanotube and Covalent Organic Polyhedrom (COP)-Fullerene Core-Shell University of Colorado Contact CU About This Technology Technology Marketing SummaryA...

  19. A New Route to Nano Self-Assembly

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    to the surface of a block copolymer and be repositioned to another location along the polymeric chain. SAXS studies of the samples, performed at ALS Beamline 7.3.3, confirmed...

  20. Magnetic resonance imaging of self-assembled biomaterial scaffolds

    DOE Patents [OSTI]

    Bull, Steve R; Meade, Thomas J; Stupp, Samuel I

    2014-09-16

    Compositions and/or mixtures comprising peptide amphiphile compounds comprising one or more contrast agents, as can be used in a range of magnetic resonance imaging applications.

  1. A New Route to Nano Self-Assembly

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Japan). Research funding: Army Research Office; National Science Foundation; DuPont; 3M; Japan Ministry of Education, Science, Sports, and Culture; and the U.S....

  2. Self-assembly of submicron particles between electrodes

    SciTech Connect (OSTI)

    Gu, Z.-Z.; Meng, Q.-B.; Hayami, S.; Fujishima, A.; Sato, O.

    2001-08-15

    A method for the fabrication of opal films between parallel transparent electrodes is described. Monodispersed particles are assembled by taking advantage of the rheological force induced by the evaporation of a solvent in a thin capillary cell. Three-dimensional opal films with controllable thickness could be fabricated, in which a regular hexagonal arrangement of particles parallel to the substrates over a large area was observed. Such a sandwich-like photonic device may find applications in fabricating electrically tunable photonic crystals. {copyright} 2001 American Institute of Physics.

  3. Guided Self-Assembly of Gold Thin Films

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    including optical lenses and polarizers, memory storage, nanoelectronic circuits, photovoltaics, and batteries. Through a relatively easy and inexpensive technique where...

  4. Self Assembly for Nanostructured Electronic Devices at the Center...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Charles Black Center for Functional Nanomaterials, Brookhaven National Laboratory BlackChuckD0331112 abstract: The Center for Functional Nanomaterials (CFN) at Brookhaven ...

  5. Bilayer self-assembly on a hydrophilic, deterministically nano...

    Office of Scientific and Technical Information (OSTI)

    This study provides insight into film transfer both outside and inside regular nano-patterned features. Authors: Smith, Gregory Scott 1 ; Jung, Seung-Yong 1 ; Browning, Jim 1 ...

  6. Charge Transport Across Insulating Self-Assembled Mono layers...

    Office of Scientific and Technical Information (OSTI)

    Number: SC0000989 Resource Type: Journal Article Resource Relation: Journal Name: ACS Nano; Journal Volume: 8; Related Information: CBES partners with Northwestern University...

  7. Guided Self-Assembly of Gold Thin Films

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    which have potential applications in fields ranging from computer memory storage to energy harvesting and storage, from catalysis to light management, and into the emerging...

  8. Self-Assembly of Polymer Nano-Elements on Sapphire

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    consisting of a central polymer (blue) linked to a surrounding polymer (red). An atomic-force microscope image (center) shows the densely packed cylinders, dark in the...

  9. Self-Assembling Process for Fabricating Tailored Thin Films

    ScienceCinema (OSTI)

    None

    2010-01-08

    A simple, economical nanotechnology coating process that enables the development of nanoparticle thin films with architectures and properties unattainable by any other processing method. 2007 R&D 100 winner (SAND2007-1878P)

  10. Robust, self-assembled, biocompatible films (Patent) | SciTech...

    Office of Scientific and Technical Information (OSTI)

    surface, and, a continuous monolayer on the oxide surface, the monolayer including a silicon atom from a trifunctional alkylalkenylalkynyl silane group that attaches to the ...

  11. Self-Assembling Process for Fabricating Tailored Thin Films

    ScienceCinema (OSTI)

    Sandia

    2009-09-01

    A simple, economical nanotechnology coating process that enables the development of nanoparticle thin films with architectures and properties unattainable by any other processing method. 2007 R&D 100 winner (SAND2007-1878P)

  12. DNA Origami Directed Self-Assembly of Discrete Silver Nanoparticle...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    DNA origami nanostructures were utilized as spatially addressable templates to organize noble-metal nanoparticles of silver and gold into well-defined discrete architectures ...

  13. Guided Self-Assembly of Gold Thin Films

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    for Procurement Officials Guidance for Procurement Officials Acquisition Regulations Federal Acquisition Regulation (FAR) Department of Energy Acquisition Regulation (DEAR) Acquisition Policy Acquisition Letters Acquisition Guidance Acquisition Guide Contracting for Support Services Department of Energy Acquisition System - A Guide for Executives Ethics in Procurement Lobbying Brochure Procurement Integrity Brochure Unsolicited Proposals Balanced scorecard Balanced Scorecard performance

  14. Self-Assembled ErSb Nanostructures with Optical Applications...

    Office of Scientific and Technical Information (OSTI)

    Subject: solar (photovoltaic), solid state lighting, phonons, thermoelectric, bio-inspired, energy storage (including batteries and capacitors), electrodes - solar, defects, charge ...

  15. Orbital reconstruction in a self-assembled oxygen vacancy nanostructure

    SciTech Connect (OSTI)

    Jang, H.; Kerr, G.; Lim, J. S.; Yang, C. -H.; Kao, C. -C.; Lee, J. -S.

    2015-07-27

    We demonstrate the microscopic role of oxygen vacancies spatially confined within nanometer inter-spacing (about 1nm) in BiFeO₃, using resonant soft X-ray scattering techniques and soft X-ray spectroscopy measurements. Such vacancy confinements and total number of vacancy are controlled by substitution of Ca²⁺ for Bi³⁺ cation. We found that by increasing the substitution, the in-plane orbital bands of Fe³⁺ cations are reconstructed without any redox reaction. It leads to a reduction of the hopping between Fe atoms, forming a localized valence band, in particular Fe 3d-electronic structure, around the Fermi level. This band localization causes to decrease the conductivity of the doped BiFeO₃ system.

  16. A New Route to Nano Self-Assembly

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... National Science Foundation; DuPont; 3M; Japan Ministry of Education, Science, Sports, and Culture; and the U.S. Department of Energy, Office of Basic Energy Sciences (BES). ...

  17. A New Route to Nano Self-Assembly

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Office; National Science Foundation; DuPont; 3M; Japan Ministry of Education, Science, Sports, and Culture; and the U.S. Department of Energy, Office of Basic Energy Sciences...

  18. Structural and optical properties of self-assembled chains of...

    Office of Scientific and Technical Information (OSTI)

    characteristics. Predominant face-to-face assembly of large NCs coated with short polymer ligands led to a larger volume of hot spots in the chains, a nearly uniform E-field...

  19. Self-Assembly of Polymer Nano-Elements on Sapphire

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    cut crystal was heated to over 1300 C and annealed in air for 24 hours to form saw-tooth patterns of parallel facets. A thin film of block copolymers was applied to the...

  20. Dynamic, self-assembled aggregates of magnetized, millimeter...

    Office of Scientific and Technical Information (OSTI)

    magnetized disks floating on a liquid-air interface, and rotating under the influence of a rotating external magnetic field. Spinning of the disks results in...

  1. Self-Assembly of Polymer Nano-Elements on Sapphire

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Legos assemble themselves into functional units without any complicated chemistry or processing. During the course of a long-distance phone call, Russell and Xu saw in a flash of...

  2. Self-assembled monolayer and method of making (Patent) | DOEPatents

    Office of Scientific and Technical Information (OSTI)

    Note that bonding fraction and surface population are independent parameters. The method of the present invention is an improvement to the known method for making a siloxane layer ...

  3. A New Route to Nano Self-Assembly

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    potential for breakthroughs that reverberate through nearly every sector of the economy (medicine, computing, energy, homeland security) is so great that it has already...

  4. Self-Assembly of Polymer Nano-Elements on Sapphire

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... The structures were analyzed by atomic force microscopy and by grazing-incidence small-angle x-ray scattering (GISAXS) performed at Beamline 7.3.3-the first demonstration that ...

  5. Orbital reconstruction in a self-assembled oxygen vacancy nanostructure

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Jang, H.; Kerr, G.; Lim, J. S.; Yang, C. -H.; Kao, C. -C.; Lee, J. -S.

    2015-07-27

    We demonstrate the microscopic role of oxygen vacancies spatially confined within nanometer inter-spacing (about 1nm) in BiFeO₃, using resonant soft X-ray scattering techniques and soft X-ray spectroscopy measurements. Such vacancy confinements and total number of vacancy are controlled by substitution of Ca²⁺ for Bi³⁺ cation. We found that by increasing the substitution, the in-plane orbital bands of Fe³⁺ cations are reconstructed without any redox reaction. It leads to a reduction of the hopping between Fe atoms, forming a localized valence band, in particular Fe 3d-electronic structure, around the Fermi level. This band localization causes to decrease the conductivity of themore » doped BiFeO₃ system.« less

  6. Achieving Transformational Materials Performance in a New Era...

    Office of Scientific and Technical Information (OSTI)

    light source co-located with the proton accelerator, and a comprehensive synthesis and characterization facility focused on controlling complex materials and the defect...

  7. Center for Nanophase Materials Sciences (CNMS) - CNMS Research

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    a diverse collection of leading journals, such as Nano Letters, Advanced Materials, and ACS Nano. They have also built capabilities for nanofiber synthesis and characterization at...

  8. Center for Materials at Irradiation and Mechanical Extremes:...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    and metallic glasses Bulk synthesis of structural nanomaterials Microstructural characterization of materials via Electron Microscopy (SEM, TEM, HRTEM, STEM, in-situ techniques)...

  9. Nanostructured materials for advanced catalyst design | The Ames...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    The students will be trained in the synthesis and characterization of hybrid mesoporous materials. They will use a series of analytical methods including powder x-ray...

  10. Center for Materials at Irradiation and Mechanical Extremes:...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    (CINT), Physical Synthesis Lab: J. Kevin Baldwin LANL Technologist Ion Beam Materials Lab: Yongqiang Wang LANL Scientist Irradiation Thrust Electron Microscopy Lab: Rob...

  11. Sequential Infiltration Synthesis for Enhancing Advanced Lithography |

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Argonne National Laboratory Advanced Lithography Technology available for licensing: The invention is a plasma etch resist material modified by an inorganic protective component via sequential infiltration synthesis (SIS) and methods of preparing the modified resist material. The SIS process forms the protective component within the bulk resist material through a plurality of alternating exposures to gas phase precursors which infiltrate the resist material. Benefits: The plasma etch resist

  12. Center for Nanophase Materials Sciences (CNMS) - Functional Polymer...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    of non-covalent interactions in the self-assembly of energy-responsive macromolecular systems. Here the focus is on substrate-free (solution-phase) assembly of conjugated...

  13. Center for Nanophase Materials Sciences (CNMS) - Archived CNMS...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    HIGHLIGHTS Correlating Electronic Transport to Atomic Structures in Self-Assembled Quantum Wires Shengyong Qin,1 Tae-Hwan Kim,1 Yanning Zhang,2 Wenjie Ouyang,2 Hanno H....

  14. weapons material | National Nuclear Security Administration

    National Nuclear Security Administration (NNSA)

    material

  15. Elena Shevchenko | Argonne National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Shevchenko Scientist Ph.D., University of Hamburg Research interests include synthesis of nanoscale materials (magnetic, semiconductor, metallic oxide nanoparticles) with controllable size and shape; nanoparticle design (nanoscale multicomponent nanoparticles, such as core shells, dumbbells); and design of multifunctional materials through self-assembly of nanoparticles and study of the collective properties of such materials News Ratiometric Sensing of Toxins using Quantum Dots Atomic Mismatch

  16. Molecular Foundry

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    University Distinguished Teaching Award. Research Interests Organic, Bioorganic, and Materials Chemistry - Self-assembling networks of inorganic nanocrystals from modified...

  17. Perovskite-Fullerene Hybrid Materials Eliminate Hysteresis In Planar Diodes

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Xu, Jixian; Buin, Andrei; Ip, Alexander H.; Li, Wei; Voznyy, Oleksandr; Comin, Riccardo; Yuan, Mingjian; Jeon, Seokmin; Ning, Zhijun; McDowell, Jeffrey; et al

    2015-03-31

    Solution-processed planar perovskite devices are highly desirable in a wide variety of optoelectronic applications; however, they are prone to hysteresis and current instabilities. Here we report the first perovskite–PCBM hybrid solid with significantly reduced hysteresis and recombination loss achieved in a single step. This new material displays an efficient electrically coupled microstructure: PCBM is homogeneously distributed throughout the film at perovskite grain boundaries. The PCBM passivates the key PbI3 antisite defects during the perovskite self-assembly, as revealed by theory and experiment. Photoluminescence transient spectroscopy proves that the PCBM phase promotes electron extraction. We showcase this mixed material in planar solarmore » cells that feature low hysteresis and enhanced photovoltage. Using conductive AFM studies, we reveal the memristive properties of perovskite films. We close by positing that PCBM, by tying up both halide-rich antisites and unincorporated halides, reduces electric field-induced anion migration that may give rise to hysteresis and unstable diode behaviour.« less

  18. Environmental Aging and Surrogate Materials Development in Support...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    distribution of uranium and plutonium in solid fallout debris materials. Traditional and sol-gel approaches to glass synthesis were used with the goal of creating a final material...

  19. Quantum and Dirac Materials for Energy Applications

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Quantum and Dirac Materials Conference Quantum and Dirac Materials for Energy (QDM) Applications The purpose of the workshop is to discuss current status and future prospects for the quantum materials and Dirac materials for energy and information technology applications using recent advances in synthesis, characterization and modeling. Contact Institute Director Dr. Alexander V. Balatsky Institute for Materials Science (505) 665-0077 Email Deputy Director Dr. Jennifer S. Martinez Institute for

  20. Materials Engineering Research Facility | Argonne National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Materials Engineering Research Facility Argonne's new Materials Engineering Research Facility (MERF) supports the laboratory's Advanced Battery Materials Synthesis and Manufacturing R&D Program. The MERF is enabling the development of manufacturing processes for producing advanced battery materials in sufficient quantity for industrial testing. The research conducted in this program is known as process scale-up. Scale-up R&D involves taking a laboratory-developed material and developing

  1. Hydrothermal crystallization of Na{sub 2}Ti{sub 6}O{sub 13}, Na{sub 2}Ti{sub 3}O{sub 7}, and Na{sub 16}Ti{sub 10}O{sub 28} in the NaOH-TiO{sub 2}-H{sub 2}O system at a temperature of 500 deg. C and a pressure of 0.1 GPa: The structural mechanism of self-assembly of titanates from suprapolyhedral clusters

    SciTech Connect (OSTI)

    Hyushin, G. D.

    2006-07-15

    An increase in the NaOH concentration in the NaOH-TiO{sub 2} (rutile)-H{sub 2}O system at a temperature of 500 deg. C and a pressure of 0.1 GPa leads to the crystallization R-TiO{sub 2} + Na{sub 2}Ti{sub 6}O{sub 13} {sup {yields}} Na{sub 2}Ti{sub 3}O{sub 7} {sup {yields}} Na{sub 16}Ti{sub 10}O{sub 28}. Crystals of the Na{sub 2}Ti{sub 6}O{sub 13} titanate (space group C2/m) have the three-dimensional framework structure Ti{sub 6}O{sub 13}. The structure of the Na{sub 2}Ti{sub 3}O{sub 7} titanate (space group P2{sub 1}/m) contains the two-dimensional layers Ti{sub 3}O{sub 7}. The structure of the Na{sub 16}Ti{sub 10}O{sub 28} titanate (space group P-1) is composed of the isolated ten-polyhedron cluster precursors Ti{sub 10}O{sub 28}. In all the structures, the titanium atoms have an octahedral coordination (MTiO{sub 6}). The matrix self-assembly of the Na{sub 2}Ti{sub 6}O{sub 13} and Na{sub 2}Ti{sub 3}O{sub 7} (Na{sub 4}Ti{sub 6}O{sub 14}) crystal structures from Na{sub 4}M{sub 12} invariant precursors is modeled. These precursors are clusters consisting of twelve M polyhedra linked through the edges. It is demonstrated that the structurally rigid precursors Na{sub 4}M{sub 12} control all processes of the subsequent evolution of the crystal-forming titanate clusters. The specific features of the self-assembly of the Na{sub 2}Ti{sub 3}O{sub 7} structure that result from the additional incorporation of twice the number of sodium atoms into the composition of the high-level clusters are considered.

  2. Reversible hydrogen storage materials

    DOE Patents [OSTI]

    Ritter, James A.; Wang, Tao; Ebner, Armin D.; Holland, Charles E.

    2012-04-10

    In accordance with the present disclosure, a process for synthesis of a complex hydride material for hydrogen storage is provided. The process includes mixing a borohydride with at least one additive agent and at least one catalyst and heating the mixture at a temperature of less than about 600.degree. C. and a pressure of H.sub.2 gas to form a complex hydride material. The complex hydride material comprises MAl.sub.xB.sub.yH.sub.z, wherein M is an alkali metal or group IIA metal, Al is the element aluminum, x is any number from 0 to 1, B is the element boron, y is a number from 0 to 13, and z is a number from 4 to 57 with the additive agent and catalyst still being present. The complex hydride material is capable of cyclic dehydrogenation and rehydrogenation and has a hydrogen capacity of at least about 4 weight percent.

  3. Solution synthesis of germanium nanocrystals

    DOE Patents [OSTI]

    Gerung, Henry; Boyle, Timothy J.; Bunge, Scott D.

    2009-09-22

    A method for providing a route for the synthesis of a Ge(0) nanometer-sized material from. A Ge(II) precursor is dissolved in a ligand heated to a temperature, generally between approximately 100.degree. C. and 400.degree. C., sufficient to thermally reduce the Ge(II) to Ge(0), where the ligand is a compound that can bond to the surface of the germanium nanomaterials to subsequently prevent agglomeration of the nanomaterials. The ligand encapsulates the surface of the Ge(0) material to prevent agglomeration. The resulting solution is cooled for handling, with the cooling characteristics useful in controlling the size and size distribution of the Ge(0) materials. The characteristics of the Ge(II) precursor determine whether the Ge(0) materials that result will be nanocrystals or nanowires.

  4. One-pot solvothermal synthesis of a well-ordered layered sodium aluminoalcoholate complex: a useful precursor for the preparation of porous Al2O3 particles

    SciTech Connect (OSTI)

    Li, XS; Michaelis, VK; Ong, TC; Smith, SJ; McKay, I; Muller, P; Griffin, RG; Wang, EN

    2014-01-01

    One-pot solvothermal synthesis of a robust tetranuclear sodium hexakis(glycolato)tris(methanolato)aluminate complex Na-3[Al-4(OCH3)(3)(OCH2CH2O)(6)] via a modified yet rigorous base-catalyzed transesterification mechanism is presented here. Single crystal X-ray diffraction (SCXRD) studies indicate that this unique Al complex contains three pentacoordinate Al3+ ions, each bound to two bidentate ethylene glycolate chelators and one monodentate methanolate ligand. The remaining fourth Al3+ ion is octahedrally coordinated to one oxygen atom from each of the six surrounding glycolate chelators, effectively stitching the three pentacoordinate Al moieties together into a novel tetranuclear Al complex. This aluminate complex is periodically self-assembled into well-ordered layers normal to the [110] axis with the intra-/inter-layer bonding involving extensive ionic bonds from the three charge-counterbalancing Na+ cations rather than the more typical hydrogen bonding interactions as a result of fewer free hydroxyl groups present in its structure. It can also serve as a valuable precursor toward the facile synthesis of high-surface-area alumina powders using a very efficient rapid pyrolysis technique.

  5. Material Misfits

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Issues submit Material Misfits How well nanocomposite materials align at their interfaces determines what properties they have, opening broad new avenues of materials-science...

  6. A Structural Study of CESA1 Catalytic Domain of Arabidopsis Cellulose Synthesis Complex: Evidence for CESA Trimers

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Vandavasi, Venu Gopal; Putnam, Daniel K.; Zhang, Qiu; Petridis, Loukas; Heller, William T.; Nixon, B. Tracy; Haigler, Candace H.; Kalluri, Udaya; Coates, Leighton; Langan, Paul; et al

    2015-11-10

    In a cellulose synthesis complex a "rosette" shape is responsible for the synthesis of cellulose chains and their assembly into microfibrils within the cell walls of land plants and their charophyte algal progenitors. The number of cellulose synthase proteins in this large multisubunit transmembrane protein complex and the number of cellulose chains in a microfibril have been debated for many years. Our work reports a low resolution structure of the catalytic domain of CESA1 from Arabidopsis (Arabidopsis thaliana; AtCESA1CatD) determined by small-angle scattering techniques and provides the first experimental evidence for the self-assembly of CESA into a stable trimer inmore » solution. The catalytic domain was overexpressed in Escherichia coli, and using a two-step procedure, it was possible to isolate monomeric and trimeric forms of AtCESA1CatD. Moreover, the conformation of monomeric and trimeric AtCESA1CatD proteins were studied using small-angle neutron scattering and small-angle x-ray scattering. A series of AtCESA1CatD trimer computational models were compared with the small-angle x-ray scattering trimer profile to explore the possible arrangement of the monomers in the trimers. Several candidate trimers were identified with monomers oriented such that the newly synthesized cellulose chains project toward the cell membrane. In these models, the class-specific region is found at the periphery of the complex, and the plant-conserved region forms the base of the trimer. Finally, this study strongly supports the "hexamer of trimers" model for the rosette cellulose synthesis complex that synthesizes an 18-chain cellulose microfibril as its fundamental product.« less

  7. Synthesis and Understanding of Novel Catalysts

    SciTech Connect (OSTI)

    Stair, Peter C.

    2013-07-09

    The research took advantage of our capabilities to perform in-situ and operando Raman spectroscopy on complex systems along with our developing expertise in the synthesis of uniform, supported metal oxide materials to investigate relationships between the catalytically active oxide composition, atomic structure, and support and the corresponding chemical and catalytic properties. The project was organized into two efforts: 1) Synthesis of novel catalyst materials by atomic layer deposition (ALD). 2) Spectroscopic and chemical investigations of coke formation and catalyst deactivation. ALD synthesis was combined with conventional physical characterization, Raman spectroscopy, and probe molecule chemisorption to study the effect of supported metal oxide composition and atomic structure on acid-base and catalytic properties. Operando Raman spectroscopy studies of olefin polymerization leading to coke formation and catalyst deactivation clarified the mechanism of coke formation by acid catalysts.

  8. Optimizing Interacting Potentials to Form Targeted Materials Structures

    SciTech Connect (OSTI)

    Torquato, Salvatore

    2015-09-28

    Conventional applications of the principles of statistical mechanics (the "forward" problems), start with particle interaction potentials, and proceed to deduce local structure and macroscopic properties. Other applications (that may be classified as "inverse" problems), begin with targeted configurational information, such as low-order correlation functions that characterize local particle order, and attempt to back out full-system configurations and/or interaction potentials. To supplement these successful experimental and numerical "forward" approaches, we have focused on inverse approaches that make use of analytical and computational tools to optimize interactions for targeted self-assembly of nanosystems. The most original aspect of our work is its inherently inverse approach: instead of predicting structures that result from given interaction potentials among particles, we determine the optimal potential that most robustly stabilizes a given target structure subject to certain constraints. Our inverse approach could revolutionize the manner in which materials are designed and fabricated. There are a number of very tangible properties (e.g. zero thermal expansion behavior), elastic constants, optical properties for photonic applications, and transport properties.

  9. CX-100633 Categorical Exclusion Determination | Department of...

    Broader source: Energy.gov (indexed) [DOE]

    include design and synthesis of self-assembling oligomers; thin-film deposition and characterization; and fabrication, characterization, and optimization of organic solar cells. ...

  10. Hongyou Fan Chosen for Prestigious Lecture on Creating Nanomaterials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... the development of new synthesis methods and self-assembly processes to fabricate multifunctional nanomaterials for applications in nanoelectronics, photonics, and energy storage. ...

  11. Seth Darling | Argonne National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    self-assembling nanomaterials, water treatment, advanced lithography based on sequential infiltration synthesis (SIS), and solar energy economics and life cycle assessment. ...

  12. Combinatorial sythesis of organometallic materials

    DOE Patents [OSTI]

    Schultz, Peter G.; Xiang, Xiaodong; Goldwasser, Isy

    2002-07-16

    Methods and apparatus for the preparation and use of a substrate having an array of diverse materials in predefined regions thereon. A substrate having an array of diverse materials thereon is generally prepared by delivering components of materials to predefined regions on a substrate, and simultaneously reacting the components to form at least two materials. Materials which can be prepared using the methods and apparatus of the present invention include, for example, covalent network solids, ionic solids and molecular solids. More particularly, materials which can be prepared using the methods and apparatus of the present invention include, for example, inorganic materials, intermetallic materials, metal alloys, ceramic materials, organic materials, organometallic materials, non-biological organic polymers, composite materials (e.g., inorganic composites, organic composites, or combinations thereof), etc. Once prepared, these materials can be screened for useful properties including, for example, electrical, thermal, mechanical, morphological, optical, magnetic, chemical, or other properties. Thus, the present invention provides methods for the parallel synthesis and analysis of novel materials having useful properties.

  13. Structural Materials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Structural Materials Structural Materials Development enables advanced technologies through the discovery, development, and demonstration of cost-effective advanced structural materials for use in extreme environments (high-temperature, high-stress, erosive, and corrosive environments, including the performance of materials in contact with molten slags and salts). Research includes materials design and discovery, materials processing and manufacturing, and service-life prediction of materials

  14. Chemistry {ampersand} Materials Science progress report summary of selected research and development topics, FY97

    SciTech Connect (OSTI)

    Newkirk, L.

    1997-12-01

    This report contains summaries of research performed in the Chemistry and Materials Science division. Topics include Metals and Ceramics, High Explosives, Organic Synthesis, Instrument Development, and other topics.

  15. Propulsion Materials

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Propulsion Materials FY 2013 Progress Report ii CONTENTS INTRODUCTION ....................................................................................................................................... 1 Project 18516 - Materials for H1ybrid and Electric Drive Systems ...................................................... 4 Agreement 19201 - Non-Rare Earth Magnetic Materials ............................................................................ 4 Agreement 23278 - Low-Cost

  16. Materials Science

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Materials Science Materials Science National security depends on science and technology. The United States relies on Los Alamos National Laboratory for the best of both. No place on Earth pursues a broader array of world-class scientific endeavors. Materials Physics and Applications» Materials Science and Technology» Institute for Materials Science» Materials Science Rob Dickerson uses a state-of-the-art transmission electron microscope at the Electron Microscopy Laboratory managed by Los

  17. Chemical Functionalization of Nanostructured Materials Using Supercritical Reaction Media

    SciTech Connect (OSTI)

    Zemanian, Thomas S.; Fryxell, Glen E.; Liu, Jun; Mattigod, Shas V.; Shin, Yongsoon; Franz, James A.; Ustyugov, Oleksiy A.; Nie, Zimin

    2001-12-15

    There exists a need for durable and thin functional coatings to utilize the afforded surface area of highly porous ceramic materials. Deposition of silane-based Self Assembled Monolayers (SAMs) has thus far been limited to maximum coverages of 4-5 molecules/nm2 and long processing times (up to 2 weeks), due to the restricted internal geometry of the substrates. Results are presented for SAMs deposited on high surface area silica from supercritical fluids (SCFs). The SAMs so produced display unprecedented coverages, high monolayer integrity, and extremely low surface defect density. Moreover, the depositions and subsequent removal of reaction byproducts are complete in a matter of minutes rather than days. Nuclear Magnetic Resonance (NMR) spectra of the surface modified silica are presented, demonstrating the SAM integrity and evolution over time. Sorption of aqueous metal ions is demonstrated, and results are given demonstrating the broad pH stability of the deposited SAMs. A chemical explanation for the enhanced deposition is posited, and the kinetics of mass transport into and out of the nanostructured spaces are discussed.Related experiments using zeolite substrates show deposition of thiol-terminated silanes to internal surfaces of 6? microporous material. After oxidation of the thiol functional group size selective chemistry was demonstrated using the produced catalyst, proving the efficacy of the supercritical reaction medium for installing functional coatings inside pores of similar diameters to the chain length of the deposited molecule[]. Comparisons are made between the response of the different substrates to the supercritical fluid-based processing, and remarks on the utility of SCF based processing of nanostructured materials are presented.

  18. Structural Materials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Structural Materials Development enables advanced technologies through the discovery, development, and demonstration of cost-effective advanced structural materials for use in ...

  19. Reference Materials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Reference Materials Reference Materials Large Scale Computing and Storage Requirements for Biological and Environmental Research May 7-8, 2009 Invitation Workshop Invitation Letter...

  20. Reference Materials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Reference Materials Reference Materials Large Scale Computing and Storage Requirements for Basic Energy Sciences February 9-10, 2010 Official DOE Invitation Workshop Invitation...

  1. Synthesis and screening combinatorial arrays of zeolites

    DOE Patents [OSTI]

    Schultz, Peter G.; Xiang, Xiaodong; Goldwasser, Isy

    2003-11-18

    Methods and apparatus for the preparation and use of a substrate having an array of diverse materials in predefined regions thereon. A substrate having an array of diverse materials thereon is generally prepared by delivering components of materials to predefined regions on a substrate, and simultaneously reacting the components to form at least two materials. Materials which can be prepared using the methods and apparatus of the present invention include, for example, covalent network solids, ionic solids and molecular solids. More particularly, materials which can be prepared using the methods and apparatus of the present invention include, for example, inorganic materials, intermetallic materials, metal alloys, ceramic materials, organic materials, organometallic materials, non-biological organic polymers, composite materials (e.g., inorganic composites, organic composites, or combinations thereof), etc. Once prepared, these materials can be screened for useful properties including, for example, electrical, thermal, mechanical, morphological, optical, magnetic, chemical, or other properties. Thus, the present invention provides methods for the parallel synthesis and analysis of novel materials having useful properties.

  2. Materials for Energy | Argonne National Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Materials for Energy The discovery and synthesis of new compounds are critical bottlenecks both for grand challenge science and for Argonne's research strategies in energy, environment, biology and national security. In the search for alternative energy sources, we need to make new discoveries in materials science. We need catalysts to convert feedstocks into fuels, new architectures for better solar cells and materials for advanced energy storage, including lithium batteries. New high-tech

  3. Materials Scientist

    Broader source: Energy.gov [DOE]

    Alternate Title(s):Materials Research Engineer; Metallurgical/Chemical Engineer; Product Development Manager;

  4. material protection

    National Nuclear Security Administration (NNSA)

    %2A en Office of Weapons Material Protection http:nnsa.energy.govaboutusourprogramsnonproliferationprogramofficesinternationalmaterialprotectionandcooperation-1

  5. material protection

    National Nuclear Security Administration (NNSA)

    %2A en Office of Weapons Material Protection http:www.nnsa.energy.govaboutusourprogramsnonproliferationprogramofficesinternationalmaterialprotectionandcooperation-1

  6. Synthesis of manganese oxide supported on mesoporous titanium oxide: Influence of the block copolymer

    SciTech Connect (OSTI)

    Schmit, F.; Bois, L.; Chiriac, R.; Toche, F.; Chassagneux, F.; Besson, M.; Descorme, C.; Khrouz, L.

    2015-01-15

    Manganese oxides supported on mesoporous titanium oxides were synthesized via a sol–gel route using block copolymer self-assembly. The oxides were characterized by X-ray diffraction, infrared spectroscopy, thermal analyses, nitrogen adsorption/desorption, electron microscopy and electronic paramagnetic resonance. A mesoporous anatase containing amorphous manganese oxide particles could be obtained with a 0.2 Mn:Ti molar ratio. At higher manganese loading (0.5 Mn:Ti molar ratio), segregation of crystalline manganese oxide occurred. The influence of block copolymer and manganese salt on the oxide structure was discussed. The evolution of the textural and structural characteristics of the materials upon hydrothermal treatment was also investigated. - Graphical abstract: One-pot amorphous MnO{sub 2} supported on mesoporous anataseTiO{sub 2}. - Highlights: • Mesoporous manganese titanium oxides were synthesized using block copolymer. • Block copolymers form complexes with Mn{sup 2+} from MnCl{sub 2}. • With block copolymer, manganese oxide can be dispersed around the titania crystallites. • With Mn(acac){sub 2}, manganese is dispersed inside titania. • MnOOH crystallizes outside mesoporous titania during hydrothermal treatment.

  7. Dense, finely, grained composite materials

    DOE Patents [OSTI]

    Dunmead, Stephen D. (Davis, CA); Holt, Joseph B. (San Jose, CA); Kingman, Donald D. (Danville, CA); Munir, Zuhair A. (Davis, CA)

    1990-01-01

    Dense, finely grained composite materials comprising one or more ceramic phase or phase and one or more metallic and/or intermetallic phase or phases are produced by combustion synthesis. Spherical ceramic grains are homogeneously dispersed within the matrix. Methods are provided, which include the step of applying mechanical pressure during or immediately after ignition, by which the microstructures in the resulting composites can be controllably selected.

  8. Proactive Strategies for Designing Thermoelectric Materials for Power

    Broader source: Energy.gov (indexed) [DOE]

    Generation | Department of Energy New p-type and n-type multiple-rattler skutterudite thermoelectric materials design, synthesis, fabrication, and characterization for power generation using vehicle exhaust waste heat. subramanian.pdf (1.79

  9. Meet CMI Researcher Tom Lograsso | Critical Materials Institute

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Tom Lograsso CMI focus area leader Tom Lograsso CMI Researcher Thomas Lograsso leads Focus Area 2, Developing Substitutes. He started this role in May 2014. Previously he led Focus Area 4, Crosscutting Research while serving as the interim director of The Ames Laboratory. Also at Ames Lab, Tom leads a BES Synthesis & Processing effort on Novel Materials Preparation and Processing Methodology, whose goal is to develop synthesis protocols for new materials including quasicrystals,

  10. Innovative & Complex Metal-Rich Materials | The Ames Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Innovative & Complex Metal-Rich Materials Research Personnel Updates Publications The Golden Key Read More New Material with each Element Doing its own Thing Read More Taking Advantage of Gold's Electron Attraction Read More Previous Pause Next Synthesis This project strives (i) to uncover and ultimately design new families of intermetallic phases; (ii) to understand the factors that stabilize both new and known metal-rich phases by combining exploratory synthesis and temperature-dependent

  11. Reference Materials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Reference Materials Reference Materials Large Scale Computing and Storage Requirements for Basic Energy Sciences February 9-10, 2010 Official DOE Invitation Workshop Invitation Letter from DOE Associate Directors Last edited: 2016-04-29 11:35:05

  12. Materials Characterization

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Materials Characterization Researchers in the Materials Characterization Research competency conduct studies of both natural and engineered materials from the micropore (nanometers) to macropore (meters) scale. Research includes, but is not limited to, thermal, chemical, mechanical, and structural (nano to macro) interactions and processes with regard to natural and engineered materials. The primary research investigation tools include SEM, XRD, micro XRD, core logging, medical CT, industrial

  13. Method of sound synthesis

    DOE Patents [OSTI]

    Miner, Nadine E.; Caudell, Thomas P.

    2004-06-08

    A sound synthesis method for modeling and synthesizing dynamic, parameterized sounds. The sound synthesis method yields perceptually convincing sounds and provides flexibility through model parameterization. By manipulating model parameters, a variety of related, but perceptually different sounds can be generated. The result is subtle changes in sounds, in addition to synthesis of a variety of sounds, all from a small set of models. The sound models can change dynamically according to changes in the simulation environment. The method is applicable to both stochastic (impulse-based) and non-stochastic (pitched) sounds.

  14. Synthesis of amino acids

    DOE Patents [OSTI]

    Davis, J.W. Jr.

    1979-09-21

    A method is described for synthesizing amino acids preceding through novel intermediates of the formulas: R/sub 1/R/sub 2/C(OSOC1)CN, R/sub 1/R/sub 2/C(C1)CN and (R/sub 1/R/sub 2/C(CN)O)/sub 2/SO wherein R/sub 1/ and R/sub 2/ are each selected from hydrogen and monovalent hydrocarbon radicals of 1 to 10 carbon atoms. The use of these intermediates allows the synthesis steps to be exothermic and results in an overall synthesis method which is faster than the synthesis methods of the prior art.

  15. Materials Physics | Materials Science | NREL

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Physics A photo of laser light rays going in various directions atop a corrugated metal substrate In materials physics, NREL focuses on realizing materials that transcend the present constraints of photovoltaic (PV) and solid-state lighting technologies. Through materials growth and characterization, coupled with theoretical modeling, we seek to understand and control fundamental electronic and optical processes in semiconductors. Capabilities Optimizing New Materials An illustration showing

  16. Scintillator material

    DOE Patents [OSTI]

    Anderson, D.F.; Kross, B.J.

    1992-07-28

    An improved scintillator material comprising cerium fluoride is disclosed. Cerium fluoride has been found to provide a balance of good stopping power, high light yield and short decay constant that is superior to known scintillator materials such as thallium-doped sodium iodide, barium fluoride and bismuth germanate. As a result, cerium fluoride is favorably suited for use as a scintillator material in positron emission tomography. 4 figs.

  17. Scintillator material

    DOE Patents [OSTI]

    Anderson, D.F.; Kross, B.J.

    1994-06-07

    An improved scintillator material comprising cerium fluoride is disclosed. Cerium fluoride has been found to provide a balance of good stopping power, high light yield and short decay constant that is superior to known scintillator materials such as thallium-doped sodium iodide, barium fluoride and bismuth germanate. As a result, cerium fluoride is favorably suited for use as a scintillator material in positron emission tomography. 4 figs.

  18. Scintillator material

    DOE Patents [OSTI]

    Anderson, David F.; Kross, Brian J.

    1992-01-01

    An improved scintillator material comprising cerium fluoride is disclosed. Cerium fluoride has been found to provide a balance of good stopping power, high light yield and short decay constant that is superior to known scintillator materials such as thallium-doped sodium iodide, barium fluoride and bismuth germanate. As a result, cerium fluoride is favorably suited for use as a scintillator material in positron emission tomography.

  19. Scintillator material

    DOE Patents [OSTI]

    Anderson, David F.; Kross, Brian J.

    1994-01-01

    An improved scintillator material comprising cerium fluoride is disclosed. Cerium fluoride has been found to provide a balance of good stopping power, high light yield and short decay constant that is superior to known scintillator materials such as thallium-doped sodium iodide, barium fluoride and bismuth germanate. As a result, cerium fluoride is favorably suited for use as a scintillator material in positron emission tomography.

  20. material recovery

    National Nuclear Security Administration (NNSA)

    dispose of dangerous nuclear and radiological material, and detect and control the proliferation of related WMD technology and expertise.

  1. Functional Materials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Testing of materials under ideal and realistic process conditions such as those found in coal-fired power plant and integrated gasification combined cycle fuel gas. Performance ...

  2. Nanomaterials by Design | The Ames Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    and properties in materials. The student will be synthesizing nanoparticles, learning and developing self-assembly strategies, and processing the materials by plasma...

  3. Design and synthesis of mixed oxides nanoparticles for biofuel applications

    SciTech Connect (OSTI)

    Chen, Senniang

    2010-05-15

    The work in this dissertation presents the synthesis of two mixed metal oxides for biofuel applications and NMR characterization of silica materials. In the chapter 2, high catalytic efficiency of calcium silicate is synthesized for transesterfication of soybean oil to biodisels. Chapter 3 describes the synthesis of a new Rh based catalyst on mesoporous manganese oxides. The new catalyst is found to have higher activity and selectivity towards ethanol. Chapter 4 demonstrates the applications of solid-state Si NMR in the silica materials.

  4. Catalysts and process conditions favoring DME synthesis from CO, H{sub 2}, and CO{sub 2}

    SciTech Connect (OSTI)

    Stiles, A.B.

    1994-12-31

    Synthesis gas can be derived from many carbonaceous raw materials and by a large number of efficient processes. Synthesis gas can also be derived from many processes typified by the following reactions: partial oxidation; steam hydrocarbon reforming; and methanol dissociation. Because the foregoing processes are so efficient and low cost, the product gases are broadly used for hydrogenation, carbonylation, and organic synthesis. The authors will not go into further detail except in the case of synthesis gas to alcohols and dimethyl ether and methane for synthetic natural gas. The paper discusses historical aspects and more recent studies of the conversion of synthesis gas.

  5. Combustion synthesis continuous flow reactor

    DOE Patents [OSTI]

    Maupin, Gary D.; Chick, Lawrence A.; Kurosky, Randal P.

    1998-01-01

    The present invention is a reactor for combustion synthesis of inorganic powders. The reactor includes a reaction vessel having a length and a first end and a second end. The reaction vessel further has a solution inlet and a carrier gas inlet. The reactor further has a heater for heating both the solution and the carrier gas. In a preferred embodiment, the reaction vessel is heated and the solution is in contact with the heated reaction vessel. It is further preferred that the reaction vessel be cylindrical and that the carrier gas is introduced tangentially into the reaction vessel so that the solution flows helically along the interior wall of the reaction vessel. As the solution evaporates and combustion produces inorganic material powder, the carrier gas entrains the powder and carries it out of the reactor.

  6. Combustion synthesis continuous flow reactor

    DOE Patents [OSTI]

    Maupin, G.D.; Chick, L.A.; Kurosky, R.P.

    1998-01-06

    The present invention is a reactor for combustion synthesis of inorganic powders. The reactor includes a reaction vessel having a length and a first end and a second end. The reaction vessel further has a solution inlet and a carrier gas inlet. The reactor further has a heater for heating both the solution and the carrier gas. In a preferred embodiment, the reaction vessel is heated and the solution is in contact with the heated reaction vessel. It is further preferred that the reaction vessel be cylindrical and that the carrier gas is introduced tangentially into the reaction vessel so that the solution flows helically along the interior wall of the reaction vessel. As the solution evaporates and combustion produces inorganic material powder, the carrier gas entrains the powder and carries it out of the reactor. 10 figs.

  7. CMI Unique Facilities | Critical Materials Institute

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    CMI Unique Facilities The Critical Materials Institute has created unique facilities that are available for additional research and collaboration. These include the following. There are hotlinks for some of the infrastructure and equipment listed. Those links provide information about the unique facility, where it was developed within CMI and who to contact for more information. Pilot-Scale Separations Test Bed Facility Filtration Test Facility Bulk Combinatoric Materials Synthesis Facility

  8. Reference Materials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Reference Materials Reference Materials Large Scale Computing and Storage Requirements for Advanced Scientific Computing Research January 5-6, 2011 Official DOE Invitation Workshop Invitation Letter from DOE Associate Directors NERSC Documents NERSC science requirements home page NERSC science requirements workshop page NERSC science requirements case study FAQ Previous NERSC Requirements Workshops Biological and Environmental Research (BER) Basic Energy Sciences (BES) Fusion Energy Sciences

  9. Reference Materials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Reference Materials Reference Materials Large Scale Computing and Storage Requirements for Biological and Environmental Research May 7-8, 2009 Invitation Workshop Invitation Letter from DOE Associate Directors Workshop Invitation Letter from DOE ASCR Program Manager Yukiko Sekine Last edited: 2016-04-29 11:34:54

  10. Cermet materials

    DOE Patents [OSTI]

    Kong, Peter C.

    2008-12-23

    A self-cleaning porous cermet material, filter and system utilizing the same may be used in filtering particulate and gaseous pollutants from internal combustion engines having intermetallic and ceramic phases. The porous cermet filter may be made from a transition metal aluminide phase and an alumina phase. Filler materials may be added to increase the porosity or tailor the catalytic properties of the cermet material. Additionally, the cermet material may be reinforced with fibers or screens. The porous filter may also be electrically conductive so that a current may be passed therethrough to heat the filter during use. Further, a heating element may be incorporated into the porous cermet filter during manufacture. This heating element can be coated with a ceramic material to electrically insulate the heating element. An external heating element may also be provided to heat the cermet filter during use.

  11. Composite material

    DOE Patents [OSTI]

    Hutchens, Stacy A.; Woodward, Jonathan; Evans, Barbara R.; O'Neill, Hugh M.

    2012-02-07

    A composite biocompatible hydrogel material includes a porous polymer matrix, the polymer matrix including a plurality of pores and providing a Young's modulus of at least 10 GPa. A calcium comprising salt is disposed in at least some of the pores. The porous polymer matrix can comprise cellulose, including bacterial cellulose. The composite can be used as a bone graft material. A method of tissue repair within the body of animals includes the steps of providing a composite biocompatible hydrogel material including a porous polymer matrix, the polymer matrix including a plurality of pores and providing a Young's modulus of at least 10 GPa, and inserting the hydrogel material into cartilage or bone tissue of an animal, wherein the hydrogel material supports cell colonization in vitro for autologous cell seeding.

  12. Materials Discovery | Materials Science | NREL

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Discovery Images of red and yellow particles NREL's research in materials discovery serves as a foundation for technological progress in renewable energies. Our experimental activities in inorganic solid-state materials innovation span a broad range of technological readiness levels-from basic science through applied research to device development-relying on a high-throughput combinatorial materials science approach, followed by traditional targeted experiments. In addition, our researchers work

  13. DESIGN, SYNTHESIS, AND MECHANISTIC EVALUATION OF IRON-BASED CATALYSIS FOR SYNTHESIS GAS CONVERSION TO FUELS AND CHEMICALS

    SciTech Connect (OSTI)

    Jian Xu; Enrique Iglesia

    2004-03-31

    This project explores the extension of previously discovered Fe-based catalysts with unprecedented Fischer-Tropsch synthesis rate, selectivity, and ability to convert hydrogen-poor synthesis gas streams typical of those produced from coal and biomass sources. Contract negotiations between the U.S. Department of Energy and the University of California were completed on December 9, 2004. During this first reporting period, we have modified and certified a previously decommissioned microreactor, ordered and installed a budgeted gas chromatograph, developed and reviewed safe operating procedures and data analysis methods, and reproduced successfully previous synthetic protocols and catalytic performance of catalytic materials based on Fe-Zn-Cu-K oxide precursors synthesized using precipitation methods, drying using surface-active agents, and activated in synthesis gas within Fischer-Tropsch synthesis tubular reactors.

  14. Preparation of olefins from synthesis gas using ruthenium supported on ceric oxide

    DOE Patents [OSTI]

    Pierantozzi, Ronald

    1985-01-01

    A catalyst comprising a ruthenium carbonyl compound deposited on a cerium oxide-containing support material provides for the selective synthesis of low molecular weight olefinic hydrocarbons from mixtures of hydrogen and carbon monoxide.

  15. Ruthenium carbonyl catalyst supported on ceric oxide for preparation of olefins from synthesis gas

    DOE Patents [OSTI]

    Pierantozzi, Ronald

    1985-01-01

    A catalyst comprising a ruthenium carbonyl compound deposited on a cerium oxide-containing support material provides for the selective synthesis of low molecular weight olefinic hydrocarbons from mixtures of hydrogen and carbon monoxide.

  16. Preparation of olefins from synthesis gas using ruthenium supported on ceric oxide

    DOE Patents [OSTI]

    Pierantozzi, R.

    1985-04-09

    A catalyst comprising a ruthenium carbonyl compound deposited on a cerium oxide-containing support material provides for the selective synthesis of low molecular weight olefinic hydrocarbons from mixtures of hydrogen and carbon monoxide.

  17. Ruthenium carbonyl catalyst supported on ceric oxide for preparation of olefins from synthesis gas

    DOE Patents [OSTI]

    Pierantozzi, R.

    1985-04-02

    A catalyst comprising a ruthenium carbonyl compound deposited on a cerium oxide-containing support material provides for the selective synthesis of low molecular weight olefinic hydrocarbons from mixtures of hydrogen and carbon monoxide.

  18. Novel Materials for Energy Research | The Ames Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Novel Materials for Energy Research Novel Materials for Energy Research The Ames Laboratory is home to the Materials Preparation Center (MPC). The MPC is a DOE Basic Energy Sciences specialized research center. It is one of the premier materials laboratories in the world for the synthesis and processing of rare earth metals and compounds, metallics alloys, complex intermetallics and inorganic compounds in both single crystalline and polycrystalline form. Established in October 1981, the MPC

  19. Wide Area Thermal Processing of Light Emitting Materials

    SciTech Connect (OSTI)

    Duty, Chad E; Joshi, Pooran C; Jellison Jr, Gerald Earle; Angelini, Joseph Attilio; Sabau, Adrian S

    2011-10-01

    Laboratory laser materials synthesis of wide bandgap materials has been successfully used to create white light emitting materials (LEMs). This technology development has progressed to the exploration on design and construction of apparatus for wide area doping and phase transformation of wide bandgap material substrates. The objective of this proposal is to develop concepts for wide area doping and phase transformation based on AppliCote Associates, LLC laser technology and ORNL high density pulsed plasma arc technology.

  20. Meet CMI Researcher Lynn Boatner | Critical Materials Institute

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Lynn Boatner Image of Lynn Boatner, researcher with Critical Materials Institute CMI researcher Lynn A. Boatner, an ORNL Corporate Fellow and Battelle Distinguished Inventor, is currently the Director of the ORNL Center for Radiation Detection Materials and Systems, and he leads the Synthesis and Properties of Novel Materials Group in the ORNL Materials Science and Technology Division. He holds a Ph.D. degree in Physics from Vanderbilt University. Lynn is a Fellow of the following societies: The