Sample records for metal organic frameworks

  1. Gas adsorption on metal-organic frameworks

    DOE Patents [OSTI]

    Willis, Richard R. (Cary, IL); Low, John J. (Schaumburg, IL), Faheem, Syed A. (Huntley, IL); Benin, Annabelle I. (Oak Forest, IL); Snurr, Randall Q. (Evanston, IL); Yazaydin, Ahmet Ozgur (Evanston, IL)

    2012-07-24T23:59:59.000Z

    The present invention involves the use of certain metal organic frameworks that have been treated with water or another metal titrant in the storage of carbon dioxide. The capacity of these frameworks is significantly increased through this treatment.

  2. SciTech Connect: Metal-Organic Framework Templated Inorganic...

    Office of Scientific and Technical Information (OSTI)

    Metal-Organic Framework Templated Inorganic Sorbents for Rapid and Efficient Extraction of Heavy Metals Citation Details In-Document Search Title: Metal-Organic Framework Templated...

  3. Porous Materials -Metal-Organic Frameworks

    E-Print Network [OSTI]

    Tsymbal, Evgeny Y.

    ShellsSnow Coral SoilBoneLungs Lemons #12;Artificial Porous Materials Insulation Cake Concrete BreadPorous Materials -Metal-Organic Frameworks 2012 Nanocamp NCMN, UNL Dr. Jian Zhang & Jacob Johnson-organic Frameworks Porous polymer networks #12;Porous Materials in Nature Sandstones Sea Sponge Butterfly Wings Egg

  4. Postsynthetic modification of metal-organic frameworks

    E-Print Network [OSTI]

    Tanabe, Kristine Kimie

    2011-01-01T23:59:59.000Z

    S. M. "Tuning Hydrogen Sorption Properties of Metal-OrganicS. M. "Tuning Hydrogen Sorption Properties of Metal-OrganicA summary of hydrogen sorption properties of three distinct

  5. Computational modeling of metal-organic frameworks

    E-Print Network [OSTI]

    Sung, Jeffrey Chuen-Fai; Sung, Jeffrey Chuen-Fai

    2012-01-01T23:59:59.000Z

    11 1.3.1. Carbon Capture andOrganic Frameworks 1.3.1. Carbon Capture and Separation Theuseful materials for carbon capture and separation. In a

  6. Metal Organic Framework Research: High Throughput Discovery of Robust Metal Organic Framework for CO2 Capture

    SciTech Connect (OSTI)

    None

    2010-08-01T23:59:59.000Z

    IMPACCT Project: LBNL is developing a method for identifying the best metal organic frameworks for use in capturing CO2 from the flue gas of coal-fired power plants. Metal organic frameworks are porous, crystalline compounds that, based on their chemical structure, vary considerably in terms of their capacity to grab hold of passing CO2 molecules and their ability to withstand the harsh conditions found in the gas exhaust of coal-fired power plants. Owing primarily to their high tunability, metal organic frameworks can have an incredibly wide range of different chemical and physical properties, so identifying the best to use for CO2 capture and storage can be a difficult task. LBNL uses high-throughput instrumentation to analyze nearly 100 materials at a time, screening them for the characteristics that optimize their ability to selectively adsorb CO2 from coal exhaust. Their work will identify the most promising frameworks and accelerate their large-scale commercial development to benefit further research into reducing the cost of CO2 capture and storage.

  7. Sandia National Laboratories: metal-organic framework materials

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

    metal-organic framework materials Combining 'Tinkertoy' Materials with Solar Cells for Increased Photovoltaic Efficiency On December 4, 2014, in Energy, Materials Science, News,...

  8. Hydrogen Storage in Metal-Organic Frameworks

    SciTech Connect (OSTI)

    Omar M. Yaghi

    2012-04-26T23:59:59.000Z

    Conventional storage of large amounts of hydrogen in its molecular form is difficult and expensive because it requires employing either extremely high pressure gas or very low temperature liquid. Because of the importance of hydrogen as a fuel, the DOE has set system targets for hydrogen storage of gravimetric (5.5 wt%) and volumetric (40 g L-1) densities to be achieved by 2015. Given that these are system goals, a practical material will need to have higher capacity when the weight of the tank and associated cooling or regeneration system is considered. The size and weight of these components will vary substantially depending on whether the material operates by a chemisorption or physisorption mechanism. In the latter case, metal-organic frameworks (MOFs) have recently been identified as promising adsorbents for hydrogen storage, although little data is available for their sorption behavior. This grant was focused on the study of MOFs with these specific objectives. (1) To examine the effects of functionalization, catenation, and variation of the metal oxide and organic linkers on the low-pressure hydrogen adsorption properties of MOFs. (2) To develop a strategy for producing MOFs with high surface area and porosity to reduce the dead space and increase the hydrogen storage capacity per unit volume. (3) To functionalize MOFs by post synthetic functionalization with metals to improve the adsorption enthalpy of hydrogen for the room temperature hydrogen storage. This effort demonstrated the importance of open metal sites to improve the adsorption enthalpy by the systematic study, and this is also the origin of the new strategy, which termed isoreticular functionalization and metalation. However, a large pore volume is still a prerequisite feature. Based on our principle to design highly porous MOFs, guest-free MOFs with ultrahigh porosity have been experimentally synthesized. MOF-210, whose BET surface area is 6240 m2 g-1 (the highest among porous solids), takes up 15 wt% of total H2 uptake at 80 bar and 77 K. More importantly, the total H2 uptake by MOF-210 was 2.7 wt% at 80 bar and 298 K, which is the highest number reported for physisorptive materials.

  9. A Catenated Strut in a Catenated Metal–Organic Framework

    SciTech Connect (OSTI)

    Li, Qiaowei [Fudan Univ., Shanghai (China); Sue, Chi-Hau [Univ. of California, Los Angeles, CA (United States); Basu, Subhadeep [Northwestern Univ., Evanston, IL (United States); Shveyd, Alexander K. [Northwestern Univ., Evanston, IL (United States); Zhang, Wenyu [Univ. of California, Los Angeles, CA (United States); Barin, Gokhan [Northwestern Univ., Evanston, IL (United States); Fang, Lei [Northwestern Univ., Evanston, IL (United States); Sarjeant, Amy A. [Northwestern Univ., Evanston, IL (United States); Stoddart, J. Fraser [Northwestern Univ., Evanston, IL (United States); Yaghi, Omar M [Univ. of California, Los Angeles, CA (United States)

    2010-01-01T23:59:59.000Z

    Mechanically interlocked molecules (MIMs), in the form of donor–acceptor [2]catenane-containing struts of exceptional length, have been incorporated into a three-dimensional catenated metal–organic framework (MOF) at precise locations and with uniform relative orientations. Catenation is expressed simultaneously within the struts and the framework.

  10. Cadmium and Zinc Thiolate and Selenolate Metal-Organic Frameworks

    SciTech Connect (OSTI)

    Turner, D.; Stone, K; Stephens, P; Vaid, T

    2010-01-01T23:59:59.000Z

    Metal-organic frameworks based on metal-sulfur or metal-selenium bonds are relatively rare; herein we describe the synthesis and structural characterization of several examples, including, for example, [Cd(en){sub 3}][Cd(SC{sub 6}H{sub 4}S){sub 2}], which contains the anionic two-dimensional square-grid network [Cd(SC{sub 6}H{sub 4}S){sub 2}]{sub n}{sup 2n-}.

  11. Metal-Organic Frameworks for Highly Selective Separations

    SciTech Connect (OSTI)

    Omar M. Yaghi

    2009-09-28T23:59:59.000Z

    This grant was focused on the study of metal-organic frameworks with these specific objectives. (1) To examine the use of MOFs with well-defined open metal sites for binding of gases and small organics. (2) To develop a strategy for producing MOFs that combine large pore size with high surface area for their use in gas adsorption and separation of polycyclic organic compounds. (3) To functionalize MOFs for the storage of inert gases such as methane. A brief outline of our progress towards these objectives is presented here as it forms part of the basis for the ideas to be developed under the present proposal.

  12. Omar Yaghi on Chemistry and Metal Organic Frameworks

    ScienceCinema (OSTI)

    Omar Yaghi

    2013-06-24T23:59:59.000Z

    In this edited version of the hour long talk, Omar Yaghi, director of the Molecular Foundry, sat down in conversation with Jeff Miller, head of Public Affairs, on July 11th, 2012 to discuss his fascination with the hidden world of chemistry and his work on Metal Organic Frameworks.

  13. Stimuli-Responsive Metal Organic Frameworks: Stimuli-Responsive Metal Organic Frameworks for Energy-Efficient Post Combustion Capture

    SciTech Connect (OSTI)

    None

    2010-07-01T23:59:59.000Z

    IMPACCT Project: A team led by three professors at Texas A&M is developing a subset of metal organic frameworks that respond to stimuli such as small changes in temperature to trap CO2 and then release it for storage. These frameworks are a promising class of materials for carbon capture applications because their structure and chemistry can be controlled with great precision. Because the changes in temperature required to trap and release CO2 in Texas A&M’s frameworks are much smaller than in other carbon capture approaches, the amount of energy or stimulus that has to be diverted from coal-fired power plants to accomplish this is greatly reduced. The team is working to alter the materials so they bind only with CO2, and are stable enough to withstand the high temperatures found in the chimneys of coal-fired power plants.

  14. Metal-organic frameworks for Xe/Kr separation

    DOE Patents [OSTI]

    Ryan, Patrick J.; Farha, Omar K.; Broadbelt, Linda J.; Snurr, Randall Q.; Bae, Youn-Sang

    2013-08-27T23:59:59.000Z

    Metal-organic framework (MOF) materials are provided and are selectively adsorbent to xenon (Xe) over another noble gas such as krypton (Kr) and/or argon (Ar) as a result of having framework voids (pores) sized to this end. MOF materials having pores that are capable of accommodating a Xe atom but have a small enough pore size to receive no more than one Xe atom are desired to preferentially adsorb Xe over Kr in a multi-component (Xe--Kr mixture) adsorption method. The MOF material has 20% or more, preferably 40% or more, of the total pore volume in a pore size range of 0.45-0.75 nm which can selectively adsorb Xe over Kr in a multi-component Xe--Kr mixture over a pressure range of 0.01 to 1.0 MPa.

  15. Metal-organic frameworks for Xe/Kr separation

    DOE Patents [OSTI]

    Ryan, Patrick J.; Farha, Omar K.; Broadbelt, Linda J.; Snurr, Randall Q.; Bae, Youn-Sang

    2014-07-22T23:59:59.000Z

    Metal-organic framework (MOF) materials are provided and are selectively adsorbent to xenon (Xe) over another noble gas such as krypton (Kr) and/or argon (Ar) as a result of having framework voids (pores) sized to this end. MOF materials having pores that are capable of accommodating a Xe atom but have a small enough pore size to receive no more than one Xe atom are desired to preferentially adsorb Xe over Kr in a multi-component (Xe--Kr mixture) adsorption method. The MOF material has 20% or more, preferably 40% or more, of the total pore volume in a pore size range of 0.45-0.75 nm which can selectively adsorb Xe over Kr in a multi-component Xe--Kr mixture over a pressure range of 0.01 to 1.0 MPa.

  16. Synthesis and Hydrogen Sorption Properties of Carborane Based Metal-Organic Framework Materials

    E-Print Network [OSTI]

    Synthesis and Hydrogen Sorption Properties of Carborane Based Metal-Organic Framework Materials@northwestern.edu Tailorable inorganic coordination polymers,1-7 in particular, metal-organic frameworks (MOFs)2-7 comprise an important emerging class of materials. They are noteworthy for their structural and chemical diversity, high

  17. Methods for associating or dissociating guest materials with a metal organic framework, systems for associating or dissociating guest materials within a series of metal organic frameworks, thermal energy transfer assemblies, and methods for transferring thermal energy

    DOE Patents [OSTI]

    McGrail, B. Peter; Brown, Daryl R.; Thallapally, Praveen K.

    2014-08-05T23:59:59.000Z

    Methods for releasing associated guest materials from a metal organic framework are provided. Methods for associating guest materials with a metal organic framework are also provided. Methods are provided for selectively associating or dissociating guest materials with a metal organic framework. Systems for associating or dissociating guest materials within a series of metal organic frameworks are provided. Thermal energy transfer assemblies are provided. Methods for transferring thermal energy are also provided.

  18. Tuning metal–carboxylate coordination in crystalline metal–organic frameworks through surfactant media

    SciTech Connect (OSTI)

    Gao, Junkuo [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Ye, Kaiqi [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore); State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012 (China); He, Mi [Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371 (Singapore); Xiong, Wei-Wei; Cao, Wenfang; Lee, Zhi Yi [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Wang, Yue [State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012 (China); Wu, Tom [Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371 (Singapore); Huo, Fengwei [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Liu, Xiaogang [Department of Chemistry, National University of Singapore, Singapore 117543 (Singapore); Institute of Materials Research Engineering, Agency for Science, Technology and Research, Singapore 117602 (Singapore); Zhang, Qichun, E-mail: qczhang@ntu.edu.sg [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore)

    2013-10-15T23:59:59.000Z

    Although it has been widely demonstrated that surfactants can efficiently control the size, shape and surface properties of micro/nanocrystals of metal–organic frameworks (MOFs) due to the strong interactions between surfactants and crystal facets of MOFs, the use of surfactants as reaction media to grow MOF single crystals is unprecedented. In addition, compared with ionic liquids, surfactants are much cheaper and can have multifunctional properties such as acidic, basic, neutral, cationic, anionic, or even block. These factors strongly motivate us to develop a new synthetic strategy: growing crystalline MOFs in surfactants. In this report, eight new two-dimensional (2D) or three-dimensional (3D) MOFs have been successfully synthesized in an industrially-abundant and environmentally-friendly surfactant: polyethylene glycol-200 (PEG-200). Eight different coordination modes of carboxylates, ranging from monodentate ?{sup 1} mode to tetra-donor coordination µ{sub 3}-?{sup 1}:?{sup 2}:?{sup 1} mode, have been founded in our research. The magnetic properties of Co-based MOFs were investigated and MOF NTU-Z6b showed a phase transition with a Curie temperature (T{sub c}) at 5 K. Our strategy of growing crystalline MOFs in surfactant could offer exciting opportunities for preparing novel MOFs with diverse structures and interesting properties. - Graphical abstract: Surfactants have been used as reaction media to grow MOF single crystals for the first time. Eight new two-dimensional or three-dimensional MOFs were successfully synthesized in surfactant polyethylene glycol-200 (PEG-200). Coordination modes of carboxylates up to eight were founded. Our strategy of growing crystalline MOFs in surfactant could offer exciting opportunities for preparing novel MOFs with diverse structures and interesting properties. Display Omitted - Highlights: • Surfactant-thermal synthesis of crystalline metal–organic frameworks. • Eight new 2-D or 3-D metal–organic frameworks. • Eight different metal–carboxylate coordination modes.

  19. Tetratopic phenyl compounds, related metal-organic framework materials and post-assembly elaboration

    DOE Patents [OSTI]

    Farha, Omar K; Hupp, Joseph T

    2013-06-25T23:59:59.000Z

    Disclosed are tetratopic carboxylic acid phenyl for use in metal-organic framework compounds. These compounds are useful in catalysis, gas storage, sensing, biological imaging, drug delivery and gas adsorption separation.

  20. Tetratopic phenyl compounds, related metal-organic framework materials and post-assembly elaboration

    DOE Patents [OSTI]

    Farha, Omar K.; Hupp, Joseph T.

    2012-09-11T23:59:59.000Z

    Disclosed are tetratopic carboxylic acid phenyl for use in metal-organic framework compounds. These compounds are useful in catalysis, gas storage, sensing, biological imaging, drug delivery and gas adsorption separation.

  1. Industrially challenging separations via adsorption in metal-organic frameworks : a computational exploration 

    E-Print Network [OSTI]

    Lennox, Matthew James

    2015-06-29T23:59:59.000Z

    In recent years, metal-organic frameworks (MOFs) have been identified as promising adsorbents in a number of industrially relevant, yet challenging, separations, including the removal of propane from propane/propylene ...

  2. Synthesis and Characterization of Films and Membranes of Metal-Organic Framework (MOF) for Gas Separation Applications

    E-Print Network [OSTI]

    Shah, Miral Naresh 1987-

    2012-12-12T23:59:59.000Z

    Metal-Organic Frameworks (MOFs) are nanoporous framework materials with tunable pore size and functionality, and hence attractive for gas separation membrane applications. Zeolitic Imidazolate Frameworks (ZIFs), a subclass of MOFs, are known...

  3. Synthesis and Characterization of Porphyrin Containing Metal-Organic Frameworks /

    E-Print Network [OSTI]

    Butler, Derek Prescott

    2013-01-01T23:59:59.000Z

    metal sites towards hydrogen storage was confirmed, with thesurface area of the MOF. Hydrogen storage has been exploredDOE has targets for a hydrogen storage system to be 45 g H 2

  4. New Design and Synthetic Strategies of Metal-Organic Frameworks

    E-Print Network [OSTI]

    Wei, Zhangwen

    2014-04-18T23:59:59.000Z

    -sized linkers which would require complicated organic synthesis with traditional methods. A non-rigid MOF named as PCN-91 containing nano-sized metallo-linkers has been synthesized easily using a linear bipolar organic linker with carboxylate and pyrazolato...

  5. Methane Storage in Metal-Organic Frameworks: Current Records, Surprise Findings, and Challenges

    E-Print Network [OSTI]

    Methane Storage in Metal-Organic Frameworks: Current Records, Surprise Findings, and Challenges to concerns over national and regional energy security, ground-level air quality, and climate change. While challenge is mass- and volume-efficient, ambient-temperature storage and delivery. One potential solution

  6. Short Communication Enhancement of CO2/CH4 selectivity in metal-organic frameworks containing

    E-Print Network [OSTI]

    lithium cations Youn-Sang Bae a,1 , Brad G. Hauser b,1 , Omar K. Farha b , Joseph T. Hupp b, , Randall Q November 2010 Keywords: Lithium doping Carbon dioxide (CO2) Metal-organic framework (MOF) Separation improvement by the Li cation exchange comes from enhanced solid­gas interactions. Ó 2010 Elsevier Inc. All

  7. Carborane-Based Metal-Organic Framework with High Methane and Hydrogen Storage Capacities

    E-Print Network [OSTI]

    Carborane-Based Metal-Organic Framework with High Methane and Hydrogen Storage Capacities Robert D of Chemical & Biological Engineering, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208 of Pennsylvania, Philadelphia, Pennsylvania 19104, United States *S Supporting Information ABSTRACT: A Cu-carborane-based

  8. Enhancement of CO2/N2 selectivity in a metal-organic framework by cavity modification

    E-Print Network [OSTI]

    are a strong motivation to reduce CO2 emissions from industrial processes. Burning of fossil fuel to generate electricity is a major source of CO2 in the atmosphere, but the capture and sequestration of CO2 from flue gasEnhancement of CO2/N2 selectivity in a metal-organic framework by cavity modification Youn-Sang Bae

  9. Adsorption and Diffusion of Hydrogen in a New Metal-Organic Framework Material: [Zn(bdc)(ted)0.5

    E-Print Network [OSTI]

    Li, Jing

    Adsorption and Diffusion of Hydrogen in a New Metal-Organic Framework Material: [Zn(bdc)(ted)0.5 pressure of 50 bar in a recently developed metal-organic framework material, [Zn(bdc)(ted)0.5] (bdc equilibrium molecular dynamics to compute self- and transport diffusivities of hydrogen in [Zn(bdc)(ted)0.5

  10. Metal?organic frameworks for the storage and delivery of biologically active hydrogen sulfide

    SciTech Connect (OSTI)

    Allan, Phoebe K.; Wheatley, Paul S.; Aldous, David; Mohideen, M. Infas; Tang, Chiu; Hriljac, Joseph A.; Megson, Ian L.; Chapman, Karena W.; De Weireld, Guy; Vaesen, Sebastian; Morris, Russell E. (St Andrews)

    2012-04-02T23:59:59.000Z

    Hydrogen sulfide is an extremely toxic gas that is also of great interest for biological applications when delivered in the correct amount and at the desired rate. Here we show that the highly porous metal-organic frameworks with the CPO-27 structure can bind the hydrogen sulfide relatively strongly, allowing the storage of the gas for at least several months. Delivered gas is biologically active in preliminary vasodilation studies of porcine arteries, and the structure of the hydrogen sulfide molecules inside the framework has been elucidated using a combination of powder X-ray diffraction and pair distribution function analysis.

  11. Pendant Functional Groups in Metal-Organic Frameworks - Effects on Crystal Structure, Stability, and Gas Sorption Properties 

    E-Print Network [OSTI]

    Makal, Trevor Arnold

    2013-03-14T23:59:59.000Z

    The primary goal of this research concerns the synthesis and characterization of metal-organic frameworks (MOFs) grafted with pendant alkyl substituents to enhance stability and gas sorption properties for use in clean-energy related technologies...

  12. Turn-on fluorescence in tetraphenylethylene-based metal-organic frameworks: An alternative to aggregation-induced emission

    E-Print Network [OSTI]

    Shustova, Natalia B.

    Coordinative immobilization of functionalized tetraphenylethylene within rigid porous metal–organic frameworks (MOFs) turns on fluorescence in the typically non-emissive tetraphenylethylene core. The matrix coordination-induced ...

  13. Enhancing H[subscript 2] Uptake by 'Close-Packing' Alignment of Open Copper Sites in Metal-Organic Frameworks

    SciTech Connect (OSTI)

    Wang, Xi-Sen; Ma, Shengqian; Forster, Paul M.; Yuan, Daqiang; Eckert, Juergen; López, Joseph J.; Murphy, Brandon J.; Parise, John B.; Zhou, Hong-Cai (TAM); (SBU); (UCSB)

    2010-10-15T23:59:59.000Z

    Inspired by close-packing of spheres, to strengthen the framework-H{sub 2} interaction in MOFs (metal-organic frameworks), a strategy is devised to increase the number of nearest neighboring open metal sites ofe ach H{sub 2}-hosting cage, and to align the open metal sites toward the H{sub 2} molecules. Two MOF polymorphs were made, one exhibiting a record high hydrogen uptake of 3.0 wt% at 1 bar and 77 k.

  14. Anionic Gallium-Based Metal;#8722;Organic Framework and Its Sorption and Ion-Exchange Properties

    SciTech Connect (OSTI)

    Banerjee, Debasis; Kim, Sun Jin; Wu, Haohan; Xu, Wenqian; Borkowski, Lauren A.; Li, Jing; Parise, John B. (Kwangju); (Rutgers); (SBU)

    2012-04-30T23:59:59.000Z

    A gallium-based metal-organic framework Ga{sub 6}(C{sub 9}H{sub 3}O{sub 6}){sub 8} {center_dot} (C{sub 2}H{sub 8}N){sub 6}(C{sub 3}H{sub 7}NO){sub 3}(H{sub 2}O){sub 26} [1, Ga{sub 6}(1,3,5-BTC){sub 8} {center_dot} 6DMA {center_dot} 3DMF {center_dot} 26H{sub 2}O], GaMOF-1; BTC = benzenetricarboxylate/trimesic acid and DMA = dimethylamine, with space group I{bar 4}3d, a = 19.611(1) {angstrom}, and V = 7953.4(6) {angstrom}{sup 3}, was synthesized using solvothermal techniques and characterized by synchrotron-based X-ray microcrystal diffraction. Compound 1 contains isolated gallium tetrahedra connected by the organic linker (BTC) forming a 3,4-connected anionic porous network. Disordered positively charged ions and solvent molecules are present in the pore, compensating for the negative charge of the framework. These positively charged molecules could be exchanged with alkali-metal ions, as is evident by an ICP-MS study. The H{sub 2} storage capacity of the parent framework is moderate with a H{sub 2} storage capacity of {approx}0.5 wt % at 77 K and 1 atm.

  15. Metal-organic and zeolite imidazolate frameworks (MOFs and ZIFs) for highly selective separations

    SciTech Connect (OSTI)

    Omar M. Yaghi

    2012-09-17T23:59:59.000Z

    Metal-organic and zeolite imidazolate frameworks (MOFs and ZIFs) have been investigated for the realization as separation media with high selectivity. These structures are held together with strong bonds, making them architecturally, chemically, and thermally stable. Therefore, employing well designed building units, it is possible to discover promising materials for gas and vapor separation. This grant was focused on the study of MOFs and ZIFs with these specific objectives: (i) to develop a strategy for producing MOFs and ZIFs that combine high surface areas with active sites for their use in gas adsorption and separation of small organic compounds, (ii) to introduce active sites in the framework by a post-synthetic modification and metalation of MOFs and ZIFs, and (iii) to design and synthesize MOFs with extremely high surface areas and large pore volumes to accommodate large amounts of guest molecules. By the systematic study, this effort demonstrated how to introduce active functional groups in the frameworks, and this is also the origin of a new strategy, which is termed isoreticular functionalization and metalation. However, a large pore volume is still a prerequisite feature. One of the solutions to overcome this challenge is an isoreticular expansion of a MOF�������¢����������������s structure. With triangular organic linker and square building units, we demonstrated that MOF-399 has a unit cell volume 17 times larger than that of the first reported material isoreticular to it, and it has the highest porosity (94%) and lowest density (0.126 g cm-3) of any MOF reported to date. MOFs are not just low density materials; the guest-free form of MOF-210 demonstrates an ultrahigh porosity, whose BET surface area was estimated to be 6240 m2 g-1 by N2 adsorption measurements.

  16. Lithium inclusion in indium metal-organic frameworks showing increased surface area and hydrogen adsorption

    SciTech Connect (OSTI)

    Bosch, Mathieu; Zhang, Muwei; Feng, Dawei; Yuan, Shuai; Wang, Xuan [Department of Chemistry, Texas A and M University, College Station, Texas 77842 (United States); Chen, Ying-Pin [Department of Materials Science and Engineering, Texas A and M University, College Station, Texas 77842 (United States); Zhou, Hong-Cai, E-mail: zhou@mail.chem.tamu.edu [Department of Chemistry, Texas A and M University, College Station, Texas 77842 (United States); Department of Materials Science and Engineering, Texas A and M University, College Station, Texas 77842 (United States)

    2014-12-01T23:59:59.000Z

    Investigation of counterion exchange in two anionic In-Metal-Organic Frameworks (In-MOFs) showed that partial replacement of disordered ammonium cations was achieved through the pre-synthetic addition of LiOH to the reaction mixture. This resulted in a surface area increase of over 1600% in (Li [In(1,3 ? BDC){sub 2}]){sub n} and enhancement of the H{sub 2} uptake of approximately 275% at 80?000 Pa at 77 K. This method resulted in frameworks with permanent lithium content after repeated solvent exchange as confirmed by inductively coupled plasma mass spectrometry. Lithium counterion replacement appears to increase porosity after activation through replacement of bulkier, softer counterions and demonstrates tuning of pore size and properties in MOFs.

  17. Formation mechanism of the secondary building unit in a chromium terephthalate metal-organic framework

    SciTech Connect (OSTI)

    Cantu Cantu, David; McGrail, B. Peter; Glezakou, Vassiliki Alexandra

    2014-11-25T23:59:59.000Z

    Based on density functional theory calculations and simulation, a detailed mechanism is presented on the formation of the secondary building unit (SBU) of MIL-101, a chromium terephthalate metal-organic framework (MOF). SBU formation is key to MOF nucleation, the rate-limiting step in the formation process of many MOFs. A series of reactions that lead to the formation of the SBU of MIL-101 is proposed in this work. Initial rate-limiting reactions form the metal cluster with three chromium (III) atoms linked to a central bridging oxygen. Terephthalate linkers play a key role as chromium (III) atoms are joined to linker carboxylate groups prior to the placement of the central bridging oxygen. Multiple linker addition reactions, which follow in different paths due to structural isomers, are limited by the removal of water molecules in the first chromium coordination shell. The least energy path is identified were all linkers on one face of the metal center plane are added first. A simple kinetic model based on transition state theory shows the rate of secondary building unit formation similar to the rate metal-organic framework nucleation. The authors are thankful to Dr. R. Rousseau for a critical reading of the manuscript. This research would not have been possible without the support of the Office of Fossil Energy, U.S. Department of Energy. This research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and the PNNL Institutional Computing (PIC) program located at Pacific Northwest National Laboratory.

  18. Separation of C2 Hydrocarbons by Porous Materials: Metal Organic Frameworks as Platform

    SciTech Connect (OSTI)

    Banerjee, Debasis; Liu, Jun; Thallapally, Praveen K.

    2014-12-22T23:59:59.000Z

    The effective separation of small hydrocarbon molecules (C1 – C4) is an important process for petroleum industry, determining the end price of many essential commodities in our daily lives. Current technologies for separation of these molecules rely on energy intensive fractional distillation processes at cryogenic temperature, which is particularly difficult because of their similar volatility. In retrospect, adsorptive separation using solid state adsorbents might be a cost effective alternative. Several types of solid state adsorbents (e.g. zeolite molecular sieves) were tested for separation of small hydrocarbon molecules as a function of pressure, temperature or vacuum. Among different types of plausible adsorbents, metal organic frameworks (MOFs), a class of porous, crystalline, inorganic-organic hybrid materials, is particularly promising. In this brief comment article, we discuss the separation properties of different types of solid state adsorbents, with a particular emphasis on MOF based adsorbents for separation of C2 hydrocarbon molecules.

  19. Improving the mechanical stability of zirconium-based metal-organic frameworks by incorporation of acidic modulators

    E-Print Network [OSTI]

    Van de Voorde, Ben; Stassen, Ivo; Bueken, Bart; Vermoortele, Frederik; De Vos, Dirk; Ameloot, Rob; Tan, Jin-Chong; Bennett, Thomas D.

    2014-12-01T23:59:59.000Z

    capable of retaining their structure under harsh processing conditions. Introduction Metal-organic frameworks (MOFs) are microporous materials incorporating both organic and inorganic moieties connected in 20 a three-dimensional crystal lattice.1... trifluoroacetic acid to UiO-66 synthesis results in striking increases in physical stability under ball-milling, 75 despite generating more materials of almost identical porosity. In the case of the latter, TFA modulated framework, porosity is retained...

  20. Supramolecular structures and metal-organic frameworks based on metal dipyrrin building blocks

    E-Print Network [OSTI]

    Halper, Sara R.

    2006-01-01T23:59:59.000Z

    assembly of supramolecular materials. [19-21] Specifically,to the metal. Supramolecular materials have an advantageproperties of supramolecular materials can be tuned by

  1. System and method for generating and/or screening potential metal-organic frameworks

    DOE Patents [OSTI]

    Wilmer, Christopher E; Leaf, Michael; Snurr, Randall Q; Farha, Omar K; Hupp, Joseph T

    2014-12-02T23:59:59.000Z

    A system and method for systematically generating potential metal-organic framework (MOFs) structures given an input library of building blocks is provided herein. One or more material properties of the potential MOFs are evaluated using computational simulations. A range of material properties (surface area, pore volume, pore size distribution, powder x-ray diffraction pattern, methane adsorption capability, and the like) can be estimated, and in doing so, illuminate unidentified structure-property relationships that may only have been recognized by taking a global view of MOF structures. In addition to identifying structure-property relationships, this systematic approach to identify the MOFs of interest is used to identify one or more MOFs that may be useful for high pressure methane storage.

  2. Synthesis and Structural Characterization of Lithium-Based Metal?Organic Frameworks

    SciTech Connect (OSTI)

    Banerjee, Debasis; Borkowski, Lauren A.; Kim, Sun Jin; Parise, John B.; (IST-Korea); (SBU)

    2009-12-01T23:59:59.000Z

    Two lithium-based metal-organic frameworks, Li{sub 2}(C{sub 14}H{sub 8}O{sub 4}) [Li{sub 2}(4,4'-BPDC) [1]; ULMOF-2, UL = ultralight; BPDC = biphenyldicarboxylate]; space group P2{sub 1}/c, a = 12.758(2) {angstrom}, b = 5.142(4) {angstrom}, c = 8.00(2) {angstrom}, {beta} = 97.23{sup o}, V = 520.6(14) {angstrom}{sup 3} and Li{sub 2}(C{sub 14}H{sub 8}O{sub 6}S) [Li{sub 2}(4,4'-SDB) [2]; ULMOF-3, UL = ultralight; SDB = sulfonyldibenzoate], space group P2{sub 1}/n, a = 5.5480(11) {angstrom}, b = 23.450(5) {angstrom}, c = 10.320(2) {angstrom}, {beta} = 96.47(3){sup o}, V = 1334.1(5) {angstrom}3, were synthesized. Compounds 1 and 2 were synthesized by solvothermal methods and were characterized using single crystal X-ray diffraction. Structure 1 consists of layers of two-dimensional antifluorite related LiO motif connected by BPDC linkers, whereas structure 2 is constructed by a combination of tetrameric lithium polyhedral clusters connected by the sulfonyldibenzoate linker. The frameworks are stable up to 575 and 500 C, respectively, under N{sub 2} atmosphere.

  3. Design and Synthesis of Novel Porous Metal-Organic Frameworks (MOFs) Toward High Hydrogen Storage Capacity

    SciTech Connect (OSTI)

    Mohamed, Eddaoudi [USF; Zaworotko, Michael [USF; Space, Brian [USF; Eckert, Juergen [USF

    2013-05-08T23:59:59.000Z

    Statement of Objectives: 1. Synthesize viable porous MOFs for high H2 storage at ambient conditions to be assessed by measuring H2 uptake. 2. Develop a better understanding of the operative interactions of the sorbed H2 with the organic and inorganic constituents of the sorbent MOF by means of inelastic neutron scattering (INS, to characterize the H2-MOF interactions) and computational studies (to interpret the data and predict novel materials suitable for high H2 uptake at moderate temperatures and relatively low pressures). 3. Synergistically combine the outcomes of objectives 1 and 2 to construct a made-to-order inexpensive MOF that is suitable for super H2 storage and meets the DOE targets - 6% H2 per weight (2kWh/kg) by 2010 and 9% H2 per weight (3kWh/kg) by 2015. The ongoing research is a collaborative experimental and computational effort focused on assessing H2 storage and interactions with pre-selected metal-organic frameworks (MOFs) and zeolite-like MOFs (ZMOFs), with the eventual goal of synthesizing made-to-order high H2 storage materials to achieve the DOE targets for mobile applications. We proposed in this funded research to increase the amount of H2 uptake, as well as tune the interactions (i.e. isosteric heats of adsorption), by targeting readily tunable MOFs:

  4. Metal-Organic Frameworks with Precisely Designed Interior for Carbon Dioxide Capture in the Presence of Water

    E-Print Network [OSTI]

    Yaghi, Omar M.

    Metal-Organic Frameworks with Precisely Designed Interior for Carbon Dioxide Capture preservation of the IRMOF structure. Carbon dioxide capture from combustion sources such as flue gas in power this carbon capture challenge. The preferred method for measuring the efficiency of a given material

  5. A three-dimensional porous metal-organic framework constructed from two-dimensional sheets via interdigitation exhibiting dynamic features.

    SciTech Connect (OSTI)

    Ma, S.; Sun, D.; Forster, P. M.; Yuan, D.; Zhuang, W.; Chen, Y. S.; Parise, J. B.; Zhou, H. C. (Chemical Sciences and Engineering Division); (Texas A& M Univ.); (Univ. of Chicago); (Stony Brook Univ.)

    2009-04-23T23:59:59.000Z

    A three-dimensional porous metal-organic framework (PCN-18) was constructed through interdigitating two-dimensional grid sheets composed of 4,4{prime}-(anthracene-9,10-diyl)dibenzoate and copper paddlewheel secondary building units, and its dynamic features were evidenced by gas sorption isotherms.

  6. Creating a Discovery Platform for Confined-Space Chemistry and Materials: Metal-Organic Frameworks.

    SciTech Connect (OSTI)

    Allendorf, Mark D.; Greathouse, Jeffery A. [Sandia National Laboratories, Albuquerque, NM; Simmons, Blake

    2008-09-01T23:59:59.000Z

    Metal organic frameworks (MOF) are a recently discovered class of nanoporous, defect-free crystalline materials that enable rational design and exploration of porous materials at the molecular level. MOFs have tunable monolithic pore sizes and cavity environments due to their crystalline nature, yielding properties exceeding those of most other porous materials. These include: the lowest known density (91% free space); highest surface area; tunable photoluminescence; selective molecular adsorption; and methane sorption rivaling gas cylinders. These properties are achieved by coupling inorganic metal complexes such as ZnO4 with tunable organic ligands that serve as struts, allowing facile manipulation of pore size and surface area through reactant selection. MOFs thus provide a discovery platform for generating both new understanding of chemistry in confined spaces and novel sensors and devices based on their unique properties. At the outset of this project in FY06, virtually nothing was known about how to couple MOFs to substrates and the science of MOF properties and how to tune them was in its infancy. An integrated approach was needed to establish the required knowledge base for nanoscale design and develop methodologies integrate MOFs with other materials. This report summarizes the key accomplishments of this project, which include creation of a new class of radiation detection materials based on MOFs, luminescent MOFs for chemical detection, use of MOFs as templates to create nanoparticles of hydrogen storage materials, MOF coatings for stress-based chemical detection using microcantilevers, and %22flexible%22 force fields that account for structural changes in MOFs that occur upon molecular adsorption/desorption. Eight journal articles, twenty presentations at scientific conferences, and two patent applications resulted from the work. The project created a basis for continuing development of MOFs for many Sandia applications and succeeded in securing %242.75 M in funding from outside agencies to continue the research. 3

  7. Composite Membranes for CO2 Capture: High Performance Metal Organic Frameworks/Polymer Composite Membranes for Carbon Dioxide Capture

    SciTech Connect (OSTI)

    None

    2010-07-01T23:59:59.000Z

    IMPACCT Project: A team of six faculty members at Georgia Tech are developing an enhanced membrane by fitting metal organic frameworks, compounds that show great promise for improved carbon capture, into hollow fiber membranes. This new material would be highly efficient at removing CO2 from the flue gas produced at coal-fired power plants. The team is analyzing thousands of metal organic frameworks to identify those that are most suitable for carbon capture based both on their ability to allow coal exhaust to pass easily through them and their ability to select CO2 from that exhaust for capture and storage. The most suitable frameworks would be inserted into the walls of the hollow fiber membranes, making the technology readily scalable due to their high surface area. This composite membrane would be highly stable, withstanding the harsh gas environment found in coal exhaust.

  8. Lewis Acid-Base Interactions between Polysulfides and Metal Organic Framework in Lithium Sulfur Batteries

    SciTech Connect (OSTI)

    Zheng, Jianming; Tian, Jian; Wu, Dangxin; Gu, Meng; Xu, Wu; Wang, Chong M.; Gao, Fei; Engelhard, Mark H.; Zhang, Jiguang; Liu, Jun; Xiao, Jie

    2014-04-04T23:59:59.000Z

    Lithium-sulfur (Li-S) battery is one of the most promising energy storage systems because of its high specific capacity of 1675 mAh g-1 based on sulfur. However, the rapid capacity degradation, mainly caused by polysulfide dissolution, remains a significant challenge prior to practical applications. Here, we report a novel Ni-based metal organic framework (Ni-MOF), Ni6(BTB)4(BP)3 (BTB = benzene-1,3,5-tribenzoate and BP = 4,4?-bipridyl), that can remarkably immobilize polysulfides within the cathode structure through physical and chemical interactions at the molecular level. The capacity retention achieves up to 89% after 100 cycles at 0.1 C. The interwoven mesopores (~2.8 nm) and micropores (~1.4 nm) of Ni-MOF firstly provide an ideal matrix to confine polysulfides. Additionally, the strong interactions between Lewis acidic Ni(II) center and the polysulfides base significantly slow down the migration of soluble polysulfides out of the pores, which leads to the excellent cycling performance of Ni-MOF/S composite.

  9. Ligand Design for Novel Metal-Organic Polyhedra and Metal-Organic Frameworks for Alternative Energy Applications

    E-Print Network [OSTI]

    Kuppler, Ryan John

    2011-10-21T23:59:59.000Z

    frameworks and cages suitable for a wide variety of applications, most notably hydrogen and methane adsorption. To avoid redundancy, each subsequent chapter will contain a relatively brief introduction of the strategies and properties of synthesized... framework, PCN-80, was synthesized based off a newly synthesized extended bianthracene derivative, yet was unstable to the atmosphere. Hydrogen and methane adsorption capacities have been evaluated by molecular simulations; these adsorption isotherms...

  10. High H2 Storage of Hexagonal Metal-Organic Frameworks from First-Principles-Based Grand Canonical Monte Carlo Simulations

    E-Print Network [OSTI]

    Goddard III, William A.

    High H2 Storage of Hexagonal Metal-Organic Frameworks from First-Principles-Based Grand Canonical IRMOF-2-60, which we calculate to bind 9.7 wt % H2 storage at 77 K and 70 bar, the highest known value even at ambient temperatures. For example, IRMOF-2-96-Li leads to 6.0 wt % H2 storage at 273 K and 100

  11. Carbon Dioxide Removal from Flue Gas Using Microporous Metal Organic Frameworks

    SciTech Connect (OSTI)

    David A Lesch

    2010-06-30T23:59:59.000Z

    UOP LLC, a Honeywell Company, in collaboration with Professor Douglas LeVan at Vanderbilt University (VU), Professor Adam Matzger at the University of Michigan (UM), Professor Randall Snurr at Northwestern University (NU), and Professor Stefano Brandani at the University of Edinburgh (UE), supported by Honeywell's Specialty Materials business unit and the Electric Power Research Institute (EPRI), have completed a three-year project to develop novel microporous metal organic frameworks (MOFs) and an associated vacuum-pressure swing adsorption (vPSA) process for the removal of CO{sub 2} from coal-fired power plant flue gas. The project leveraged the team's complementary capabilities: UOP's experience in materials development and manufacturing, adsorption process design and process commercialization; LeVan and Brandani's expertise in high-quality adsorption measurements; Matzger's experience in syntheis of MOFs and the organic components associated with MOFs; Snurr's expertise in molecular and other modeling; Honeywell's expertise in the manufacture of organic chemicals; and, EPRI's knowledge of power-generation technology and markets. The project was successful in that a selective CO{sub 2} adsorbent with good thermal stability and reasonable contaminant tolerance was discovered, and a low cost process for flue gas CO{sub 2} capture process ready to be evaluated further at the pilot scale was proposed. The team made significant progress toward the current DOE post-combustion research targets, as defined in a recent FOA issued by NETL: 90% CO{sub 2} removal with no more than a 35% increase in COE. The team discovered that favorable CO{sub 2} adsorption at more realistic flue gas conditions is dominated by one particular MOF structure type, M/DOBDC, where M designates Zn, Co, Ni, or Mg and DOBDC refers to the form of the organic linker in the resultant MOF structure, dioxybenzenedicarboxylate. The structure of the M/DOBDC MOFs consists of infinite-rod secondary building units bound by DOBDC resulting in 1D hexagonal pores about 11 angstroms in diameter. Surface areas range from 800 to 1500 sq m/g for the different MOFs. Mg/DOBDC outperformed all MOF and zeolite materials evaluated to date, with about 25 wt% CO{sub 2} captured by this MOF at flue gas conditions ({approx}0.13 atm CO{sub 2} pressure, 311K). In simulated flue gas without oxygen, the zero-length (ZLC) system was very useful in quickly simulating the effect of long term exposure to impurities on the MOFs. Detailed adsorption studies on MOF pellets have shown that water does not inhibit CO{sub 2} adsorption for MOFs as much as it does for typical zeolites. Moreover, some MOFs retain a substantial CO{sub 2} capacity even with a modest water loading at room temperature. Molecular modeling was a key activity in three areas of our earlier DOE/NETL-sponsored MOF-based research on CC. First, the team was able to effectively simulate CO{sub 2} and other gas adsorption isotherms for more than 20 MOFs, and the knowledge obtained was used to help predict new MOF structures that should be effective for CO{sub 2} adsorption at low pressure. The team also showed that molecular modeling could be utilized to predict the hydrothermal stability of a given MOF. Finally, the team showed that low moisture level exposure actually enhanced the CO{sub 2} adsorption performance of a particular MOF, HKUST-1.

  12. Reversible CO Binding in Metal-Organic Frameworks | Center for Gas

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearch > TheNuclear Press ReleasesIn theTreatment in a Metal-Organic

  13. Carbon Dioxide Capture in Metal-Organic Frameworks | Center for Gas

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItem NotEnergy,ARMForms About Batteries BatteriesCAESMissionMetal-OrganicCarbon

  14. Isoreticular metal-organic frameworks, process for forming the same, and systematic design of pore size and functionality therein, with application for gas storage

    DOE Patents [OSTI]

    Yaghi, Omar M.; Eddaoudi, Mohamed; Li, Hailian; Kim, Jaheon; Rosi, Nathaniel

    2005-08-16T23:59:59.000Z

    An isoreticular metal-organic framework (IRMOF) and method for systematically forming the same. The method comprises the steps of dissolving at least one source of metal cations and at least one organic linking compound in a solvent to form a solution; and crystallizing the solution under predetermined conditions to form a predetermined IRMOF. At least one of functionality, dimension, pore size and free volume of the IRMOF is substantially determined by the organic linking compound.

  15. Rigidifying Fluorescent Linkers by Metal–Organic Framework Formation for Fluorescence Blue Shift and Quantum Yield Enhancement

    SciTech Connect (OSTI)

    Wei, Zhangwen; Gu, Zhi-Yuan; Arvapally, Ravi K.; Chen, Ying-Pin; Ivy, Joshua F.; Yakovenko, Andrey A.; Feng, Dawei; Omary, Mohammad A.; Zhou, Hong-Cai [UNT

    2014-06-11T23:59:59.000Z

    We demonstrate that rigidifying the structure of fluorescent linkers by structurally constraining them in metal–organic frameworks (MOFs) to control their conformation effectively tunes the fluorescence energy and enhances the quantum yield. Thus, a new tetraphenylethylene-based zirconium MOF exhibits a deep-blue fluorescent emission at 470 nm with a unity quantum yield (99.9 ± 0.5%) under Ar, representing ca. 3600 cm?¹ blue shift and doubled radiative decay efficiency vs the linker precursor. An anomalous increase in the fluorescence lifetime and relative intensity takes place upon heating the solid MOF from cryogenic to ambient temperatures. The origin of these unusual photoluminescence properties is attributed to twisted linker conformation, intramolecular hindrance, and framework rigidity.

  16. Synthesis, Structure Determination, and Hydrogen Sorption Studies of New Metal-Organic Frameworks Using Triazole and Naphthalenedicarboxylic Acid

    SciTech Connect (OSTI)

    Park,H.; Britten, J.; Mueller, U.; Lee, J.; Li, J.; Parise, J.

    2007-01-01T23:59:59.000Z

    Two new metal-organic framework compounds were synthesized under solvothermal conditions using Zn{sup 2+} ion, 1,2,4-triazole (TRZ), and 1,4- and 2,6-naphthalenedicarboxylic acids (NDC): Zn{sub 4}(TRZ){sub 4}(1,4-NDC){sub 2}-2DMF-2H{sub 2}O (1) and Zn{sub 4}(TRZ){sub 4}(2,6-NDC){sub 2}-2DMF-4H{sub 2}O (2). Their crystal structures were characterized by single-crystal X-ray diffraction. Structure 1 crystallizes in the P2{sub 1}/n space group with a = 13.609(2) {angstrom}, b = 27.181(5){angstrom}, c = 13.617(3) {angstrom}, {beta} = 92.46(1){sup o}, V = 5032.4(16) {angstrom}{sup 3}, and Z = 4. Structure 2 crystallizes in orthorhombic Pna2{sub 2} space group with a = 30.978(6) {angstrom}, b = 12.620(3) {angstrom}, c = 13.339(3) {angstrom}, V = 5215(2) {angstrom}{sup 3}, and Z = 4. Both structures are analogues of the previously reported Zn{sub 4}(TRZ){sub 4}(1,4-BDC){sub 2}-16H{sub 2}O where the layers of Zn-triazole moieties are pillared by aromatic dicarboxylates to create 3-D open frameworks. Nitrogen sorption studies revealed that these structures have Brunaer-Emmett-Teller (BET) surface areas of 362.1-584.1 m{sup 2}/g. Hydrogen sorption experiments showed they can store 0.84-1.09 wt % H{sub 2} at 77 K and 1 atm. Although they do not contain large pores or surface areas, they possess the hydrogen sorption capacities comparable to those of highly porous metal-organic frameworks.

  17. Porous Metal-Organic Frameworks for Energy Storage Applications: Design, Synthesis and Mechanism Studies

    E-Print Network [OSTI]

    Liu, Yangyang

    2014-05-05T23:59:59.000Z

    , by varying the conditions in the solvothermal reaction, five MOFs with diverse structures were synthesized from a tetratopic ligand. Hydrogen storage properties were studied for these MOFs. A list of factors including catenation, metal nodes, charge, topology...

  18. Impact of Metal and Anion Substitutions on the Hydrogen Storage Properties of MBTT Metal-Organic Frameworks

    E-Print Network [OSTI]

    . For high-pressure storage at ambient temperatures, the M3[(M4Cl)3(BTT)8]2 (M-BTT; BTT3- = 1 applications is of paramount importance due to the increasing atmospheric levels of CO2 resulting fromImpact of Metal and Anion Substitutions on the Hydrogen Storage Properties of MBTT Metal

  19. Journal of Solid State Chemistry 178 (2005) 25272532 Gas sorption properties of microporous metal organic frameworks

    E-Print Network [OSTI]

    Li, Jing

    , liquefaction, metal hydrides and porous carbon-based adsorbents, have various difficulties that must be overcome before large-scale commercialization can be considered [1]. Developing new storage materials of these porous materials are well-characterized pores, small pore dimension, high micropore volume, and high

  20. Crystalline Metal-Organic Frameworks Based on Conformationally Flexible Phosphonic Acids

    E-Print Network [OSTI]

    Gagnon, Kevin James

    2013-07-19T23:59:59.000Z

    Alkylbisphosphonates ................................................ 4 Effects of External Stimuli on Metal Phosphonates........................................................ 6 CHAPTER II MATERIALS AND EXPERIMENTAL... for the system CoCl2?6H2O/IBMPA/[BdMIM] [BF4]. .......................................................................................................................... 23 Figure 2. Thermal ellipsoid plot of compound 1...

  1. Generation and Applications of Structure Envelopes for Metal-Organic Frameworks

    E-Print Network [OSTI]

    Yakovenko, Andrey A.

    2013-04-18T23:59:59.000Z

    years of research in the field MOFs were found to have several advantages in contrast to inorganic and organic porous solids. First, by differentiating Figure 2. Crystal structure of MOF-5, view in (100) crystallographic plane.25 4 the length...

  2. Lewis Acid-Base Interactions between Polysulfides and Metal Organic...

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

    Lewis Acid-Base Interactions between Polysulfides and Metal Organic Framework in Lithium Sulfur Batteries. Lewis Acid-Base Interactions between Polysulfides and Metal Organic...

  3. Understanding Trends in CO2 adsorption in Metal-Organic Frameworks with

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearch >Internship Program TheSite Map Site Map HomeUSSites | CenterOpen-Metal

  4. Development of Metal-Organic Framework Thin Films and Membranes for Low-Energy Gas Separation

    E-Print Network [OSTI]

    McCarthy, Michael

    2011-08-08T23:59:59.000Z

    , regular pore structure and thermal and chemical stability.7-9 Their rigid pores allow zeolite membranes to achieve gas separation with high selectivity due to the molecular sieving effect.7, 10 The high thermal and chemical stability of these materials..., that unlike molecular sieving observed in zeolite membranes, ZIF membranes have not been observed to exhibit sharp permeance cutoffs. This is understood as a result of the flexible nature of organic ligands in the ZIF structure.39 Figure 9. Top...

  5. Selective CO2 Capture from Flue Gas Using Metal-Organic Frameworks?A Fixed Bed Study

    SciTech Connect (OSTI)

    Liu, Jian; Tian, Jian; Thallapally, Praveen K.; McGrail, B. Peter

    2012-05-03T23:59:59.000Z

    It is important to capture carbon dioxide from flue gas which is considered to be the main reason to cause global warming. CO2/N2 separation by novel adsorbents is a promising method to reduce CO2 emission but effect of water and CO2/N2 selectivity is critical to apply the adsorbents into practical applications. A very well known, Metal Organic Framework, NiDOBDC (Ni-MOF-74 or CPO-27-Ni) was synthesized through a solvothermal reaction and the sample (500 to 800 microns) was used in a fixed bed CO2/N2 breakthrough study with and without H2O. The Ni/DOBDC pellet has a high CO2 capacity of 3.74 mol/kg at 0.15 bar and a high CO2/N2 selectivity of 38, which is much higher than those of reported MOFs and zeolites under dry condition. Trace amount of water can impact CO2 adsorption capacity as well as CO2/N2 selectivity for the Ni/DOBDC. However, Ni/DOBDC can retain a significant CO2 capacity and CO2/N2 selectivity at 0.15 bar CO2 with 3% RH water. These results indicate a promising future to use the Ni/DOBDC in CO2 capture from flue gas.

  6. Dynamic interplay between spin-crossover and host-guest function in a nanoporous metal-organic framework material.

    SciTech Connect (OSTI)

    Southon, P. D.; Liu, L.; Fellows, E. A.; Price, D. J.; Halder, G. J.; Chapman, K. W.; Moubaraki, B.; Murray, K. S.; Letard, J.F.; Kepert, C. J.; Univ. Sydney; Monash Univ.; Universite Bordeaux

    2009-01-01T23:59:59.000Z

    The nanoporous metal-organic framework [Fe(pz)Ni(CN){sub 4}], 1 (where pz is pyrazine), exhibits hysteretic spin-crossover at ambient conditions and is robust to the adsorption and desorption of a wide range of small molecular guests, both gases (N{sub 2}, O{sub 2}, CO{sub 2}) and vapors (methanol, ethanol, acetone, acetonitrile, and toluene). Through the comprehensive analysis of structure, host-guest properties, and spin-crossover behaviors, it is found that this pillared Hofmann system uniquely displays both guest-exchange-induced changes to spin-crossover and spin-crossover-induced changes to host-guest properties, with direct dynamic interplay between these two phenomena. Guest desorption and adsorption cause pronounced changes to the spin-crossover behavior according to a systematic trend in which larger guests stabilize the high-spin state and therefore depress the spin-crossover temperature of the host lattice. When stabilizing the alternate spin state of the host at any given temperature, these processes directly stimulate the spin-crossover process, providing a chemisensing function. Exploitation of the bistability of the host allows the modification of adsorption properties at a fixed temperature through control of the host spin state, with each state shown to display differing chemical affinities to guest sorption. Guest desorption then adsorption, and vice versa, can be used to switch between spin states in the bistable temperature region, adding a guest-dependent memory effect to this system.

  7. Preparation of metal-triazolate frameworks

    DOE Patents [OSTI]

    Yaghi, Omar M; Uribe-Romo, Fernando J; Gandara-Barragan, Felipe; Britt, David K

    2014-10-07T23:59:59.000Z

    The disclosure provides for novel metal-triazolate frameworks, methods of use thereof, and devices comprising the frameworks thereof.

  8. A two-fold interpenetrating 3D metal-organic framework material constructed from helical chains linked via 4,4'-H{sub 2}bpz fragments

    SciTech Connect (OSTI)

    Xie Yiming [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 35002 (China); College of Materials Science and Engineering, Huaqiao University, the Key Laboratory for Functional Materials of Fujian Higher Education, Quanzhou, Fujian 362021 (China); Zhao Zhenguo; Wu Xiaoyuan; Zhang Qisheng; Chen Lijuan; Wang Fei; Chen Shanci [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 35002 (China); Lu Canzhong [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 35002 (China)], E-mail: czlu@fjirsm.ac.cn

    2008-12-15T23:59:59.000Z

    A 3-connected dia-f-type metal-organic framework compound {l_brace}[Ag(L){sub 3/2}H{sub 2}PO{sub 4}]{r_brace}{sub n} (1) has been synthesized by self-assembly of 4,4'-H{sub 2}bpz (L=4,4'-H{sub 2}bpz=3,3',5,5'-tetramethyl-4,4'-bipyrazole) and Ag{sub 4}P{sub 2}O{sub 7} under hydrothermal conditions. It crystallizes in the tetragonal space group I4{sub 1}/acd with a=21.406(4) A, b=21.406(4) A, c=36.298(8) A, Z=32. X-ray single-crystal diffraction reveals that 1 has a three-dimensional framework with an unprecedented alternate left- and right-handed helices structure, featuring a non-uniform two-fold interpenetrated (4.14{sup 2}) net. Photoluminescent investigation reveals that the title compound displays interesting emissions in a wide region, which shows that the title compound may be a good potential candidate as a photoelectric material. - Graphical abstract: A 3-connected dia-f-type metal-organic framework compound [Ag(4,4'-bpz){sub 3/2}H{sub 2}PO{sub 4}] shows unprecedented alternating left- and right-handed helices structure, featuring a non-uniform two-fold interpenetrated (4.14{sup 2}) net.

  9. One-pot synthesis of a metal–organic framework as an anode for Li-ion batteries with improved capacity and cycling stability

    SciTech Connect (OSTI)

    Gou, Lei, E-mail: Leigou@chd.edu.cn; Hao, Li-Min; Shi, Yong-Xin; Ma, Shou-Long; Fan, Xiao-Yong; Xu, Lei; Li, Dong-Lin, E-mail: dlli@chd.edu.cn; Wang, Kang

    2014-02-15T23:59:59.000Z

    Metal–organic framework is a kind of novel electrode materials for lithium ion batteries. Here, a 3D metal–organic framework Co{sub 2}(OH){sub 2}BDC (BDC=1,4-benzenedicarboxylate) was synthesized for the first time by the reaction of Co{sup 2+} with a bio-inspired renewable organic ligand 1,4-benzenedicarboxylic acid through a solvothermal method. As an anode material for lithium ion batteries, this material exhibited an excellent cyclic stability as well as a large reversible capacity of ca. 650 mA h g{sup ?1} at a current density of 50 mA g{sup ?1} after 100 cycles within the voltage range of 0.02–3.0 V, higher than that of other BDC based anode. - Graphical abstract: The PXRD pattern and the cycleability curves (inset) of Co{sub 2}(OH){sub 2}BDC. Display Omitted - Highlights: • Co{sub 2}(OH){sub 2}BDC was synthesized through a one pot solvothermal process. • The solvent had a great effect on the purity of this material. • This material was used as anode material for lithium ion batteries for the first time. • Co{sub 2}(OH){sub 2}BDC showed improved capacity and cycling stability.

  10. 2D?3D polycatenated and 3D?3D interpenetrated metal–organic frameworks constructed from thiophene-2,5-dicarboxylate and rigid bis(imidazole) ligands

    SciTech Connect (OSTI)

    Erer, Hakan [Department of Chemistry, Faculty of Arts and Sciences, Eski?ehir Osmangazi University, 26480 Eski?ehir (Turkey); Ye?ilel, Okan Zafer, E-mail: yesilel@ogu.edu.tr [Department of Chemistry, Faculty of Arts and Sciences, Eski?ehir Osmangazi University, 26480 Eski?ehir (Turkey); Ar?c?, Mürsel [Department of Chemistry, Faculty of Arts and Sciences, Eski?ehir Osmangazi University, 26480 Eski?ehir (Turkey); Keskin, Seda [Department of Chemical and Biological Engineering, Koç University, ?stanbul (Turkey); Büyükgüngör, Orhan [Department of Physics, Faculty of Arts and Sciences, Ondokuz May?s University, 55139 Samsun (Turkey)

    2014-02-15T23:59:59.000Z

    Hydrothermal reactions of rigid 1,4-bis(imidazol-1-yl)benzene (dib) and 1,4-bis(imidazol-1-yl)-2,5-dimethylbenzene (dimb) with deprotonated thiophene-2,5-dicarboxylic acid (H{sub 2}tdc) in the presence of Zn(II) and Cd(II) salts in H{sub 2}O produced three new metal–organic frameworks, namely, [Zn(µ-tdc)(H{sub 2}O)(µ-dib)]{sub n} (1), [Cd(µ-tdc)(H{sub 2}O)(µ-dib)]{sub n} (2), and ([Cd{sub 2}(µ{sub 3}-tdc){sub 2}(µ-dimb){sub 2}]·(H{sub 2}O)){sub n}(3). These MOFs were characterized by FT-IR spectroscopy, elemental, thermal (TG, DTA, DTG and DSC), and single-crystal X-ray diffraction analyses. Isomorphous complexes 1 and 2 reveal polycatenated 2D+2D?3D framework based on an undulated (4,4)-sql layer. Complex 3 exhibits a new 4-fold interpenetrating 3D framework with the point symbol of 6{sup 6}. Molecular simulations were used to assess the potentials of the complexes for H{sub 2} storage application. Moreover, these coordination polymers exhibit blue fluorescent emission bands in the solid state at room temperature. - Graphical abstract: In this study, hydrothermal reactions of rigid 1,4-bis(imidazol-1-yl)benzene (dib) and 1,4-bis(imidazol-1-yl)-2,5-dimethylbenzene (dimb) with deprotonated thiophene-2,5-dicarboxylic acid (H{sub 2}tdc) in the presence of Zn(II) and Cd(II) salts in H{sub 2}O produced three new metal–organic frameworks. Isomorphous complexes 1 and 2 reveal polycatenated 2D+2D?3D framework based on an undulated (4,4)-sql layer. Complex 3 exhibits a new 4-fold interpenetrating 3D framework with the point symbol of 6{sup 6}. Molecular simulations were used to assess the potentials of the complexes for H{sub 2} storage application. These coordination polymers exhibit blue fluorescent emission bands in the solid state at room temperature. Display Omitted - Highlights: • Complexes 1 and 2 display polycatenated 2D+2D?3D framework. • Complex 3 exhibits a new 4-fold interpenetrating 3D framework. • Complex 1 adsorbs the highest amount of H{sub 2} at 100 bar and 298 K. • Complexes display blue fluorescent emission bands.

  11. Magnetism in metal-organic capsules

    SciTech Connect (OSTI)

    Atwood, Jerry L.; Brechin, Euan K; Dalgarno, Scott J.; Inglis, Ross; Jones, Leigh F.; Mossine, Andrew; Paterson, Martin J.; Power, Nicholas P.; Teat, Simon J.

    2010-01-07T23:59:59.000Z

    Nickel and cobalt seamed metal-organic capsules have been isolated and studied using structural, magnetic and computational approaches. Antiferromagnetic exchange in the Ni capsule results from coordination environments enforced by the capsule framework.

  12. Layer-by-Layer Fabrication of Oriented Porous Thin Films Based on Porphyrin-Containing Metal-Organic Frameworks

    E-Print Network [OSTI]

    with number of growth cycles. Polarization excitation and fluorescence measurements indicate, Papanikolas et al. have reported on the fabrication and energy migration dynamics of metal for its exploitation for the preparation of molecular devices.19 Example materials include HKUST-1

  13. Pair distribution function-derived mechanism of a single-crystal to disordered to single-crystal transformation in a hemilabile metal-organic framework

    SciTech Connect (OSTI)

    Allan, P. K.; Chapman, K. W.; Chupas, P. J.; Hriljac, J. A.; Renouf, C. L.; Lucas, T. C. A.; Morris, R. E. (X-Ray Science Division); (Univ. of St. Andrews); (Univ. of Birmingham)

    2012-01-01T23:59:59.000Z

    Flexible metal-organic frameworks (MOFs) are materials of great current interest. A small class of MOFs show flexibility driven by reversible bonding rearrangements that lead directly to unusual properties. Cu-SIP-3 is a MOF based on the 5-sulfoisophthalate ligand, where the strong copper-carboxylate bonds ensure that the three-dimensional integrity of the structure is retained while allowing bonding changes to occur at the more weakly bonding sulfonate group leading to unusual properties such as the ultra-selective adsorption of only certain gases. While the integrity of the framework remains intact during bonding changes, crystalline order is not retained at all times during the transformations. X-Ray diffraction reveals that highly crystalline single crystals lose order during the transformation before regaining crystallinity once it is complete. Here we show how X-ray pair distribution function analysis can be used to reveal the mechanism of the transformations in Cu-SIP-3, identifying the sequence of atomic displacements that occur in the disordered phase. A similar approach reveals the underlying mechanism of Cu-SIP-3's ultra-selective gas adsorption.

  14. Preparation of metal-catecholate frameworks

    SciTech Connect (OSTI)

    Yaghi, Omar M.; Gandara-Barragan, Felipe; Lu, Zheng; Wan, Shun

    2014-06-03T23:59:59.000Z

    The disclosure provides for metal catecholate frameworks, and methods of use thereof, including gas separation, gas storage, catalysis, tunable conductors, supercapacitors, and sensors.

  15. Assessing electronic structure approaches for gas-ligand interactions in metal-organic frameworks: The CO{sub 2}-benzene complex

    SciTech Connect (OSTI)

    Witte, Jonathon [Department of Chemistry, University of California, Berkeley, California 94720 (United States) [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Neaton, Jeffrey B., E-mail: jbneaton@lbl.gov [Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, University of California, Berkeley, California 94720 (United States); Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States) [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2014-03-14T23:59:59.000Z

    Adsorption of gas molecules in metal-organic frameworks is governed by many factors, the most dominant of which are the interaction of the gas with open metal sites, and the interaction of the gas with the ligands. Herein, we examine the latter class of interaction in the context of CO{sub 2} binding to benzene. We begin by clarifying the geometry of the CO{sub 2}–benzene complex. We then generate a benchmark binding curve using a coupled-cluster approach with single, double, and perturbative triple excitations [CCSD(T)] at the complete basis set (CBS) limit. Against this ?CCSD(T)/CBS standard, we evaluate a plethora of electronic structure approximations: Hartree-Fock, second-order Møller-Plesset perturbation theory (MP2) with the resolution-of-the-identity approximation, attenuated MP2, and a number of density functionals with and without different empirical and nonempirical van der Waals corrections. We find that finite-basis MP2 significantly overbinds the complex. On the other hand, even the simplest empirical correction to standard density functionals is sufficient to bring the binding energies to well within 1 kJ/mol of the benchmark, corresponding to an error of less than 10%; PBE-D in particular performs well. Methods that explicitly include nonlocal correlation kernels, such as VV10, vdW-DF2, and ?B97X-V, perform with similar accuracy for this system, as do ?B97X and M06-L.

  16. Topological evolution and photoluminescent properties of a series of divalent zinc-based metal–organic frameworks tuned via ancillary ligating spacers

    SciTech Connect (OSTI)

    Lian, Xiao-Min; Zhao, Wen [Shanghai Key Laboratory of Green Chemistry and Chemical Processes, Department of Chemistry, East China Normal University, 3663 North Zhongshan Road, Shanghai 200062 (China); Zhao, Xiao-Li, E-mail: xlzhao@chem.ecnu.edu.cn [Shanghai Key Laboratory of Green Chemistry and Chemical Processes, Department of Chemistry, East China Normal University, 3663 North Zhongshan Road, Shanghai 200062 (China)

    2013-04-15T23:59:59.000Z

    The combination of divalent zinc ions, 4-(4-carboxybenzamido)benzoic acid and exo-bidendate bipyridine ligands gave rise to a series of new MOFs: [ZnL(bipy)]·DMF·H{sub 2}O (1), [ZnL(bpe)]·1.5H{sub 2}O (2), [ZnL(bpa)]·4H{sub 2}O (3) and [ZnL(bpp)]·1.75H{sub 2}O (4) (MOF=metal-organic framework, bipy=4,4?-bipyridine, bpe=trans-1,2-bis(4-pyridyl)ethylene, bpa=1,2-bis(4-pyridinyl)ethane, bpp=1,3-bis(4-pyridinyl)propane, H{sub 2}L=4,4?-(carbonylimino)dibenzoic acid). Fine tune over the topology of the MOFs was achieved via systematically varying the geometric length of the second ligating bipyridine ligands. Single-crystal X-ray analysis reveals that complex 1 has a triply interpenetrated three-dimensional (3D) framework with elongated primitive cubic topology, whereas isostructural complexes 2 and 3 each possesses a 6-fold interpenetrated diamondiod 3D framework. Further expansion of the length of the bipyridine ligand to bpp leads to the formation of 4, which features an interesting entangled architecture of 2D?3D parallel polycatenation. In addition, the thermogravimetric analyses and solid-state photoluminescent properties of the selected complexes are investigated. - Graphical abstract: The incorporation of exo-bidendate bipyridine spacers into the Zn–H{sub 2}L system has yielded a series of new MOFs exhibiting topological evolution from 3-fold interpenetration to 6-fold interpenetration and 2D?3D parallel polycatenation. Highlights: ? The effect of the pyridyl-based spacers on the formation of MOFs was explored. ? Fine tune over the topology of the MOFs was achieved. ? An interesting structure of 2D?3D parallel polycatenation is reported.

  17. Isoreticular metal-organic frameworks, process for forming the same, and systematic design of pore size and functionality therein, with application for gas storage

    DOE Patents [OSTI]

    Yaghi, Omar M.; Eddaoudi, Mohamed; Li, Hailian; Kim, Jaheon; Rosi, Nathaniel

    2007-03-27T23:59:59.000Z

    The ability to design and construct solid-state materials with pre-determined structures is a grand challenge in chemistry. An inventive strategy based on reticulating metal ions and organic carboxylate links into extended networks has been advanced to a point that has allowed the design of porous structures in which pore size and functionality can be varied systematically. MOF-5, a prototype of a new class of porous materials and one that is constructed from octahedral Zn--O--C clusters and benzene links, was used to demonstrate that its 3-D porous system can be functionalized with the organic groups, --Br, --NH2, --OC3H7, --OC5H11, --H4C2, and --H4C4, and its pore size expanded with the long molecular struts biphenyl, tetrahydropyrene, pyrene, and terphenyl. The ability to direct the formation of the octahedral clusters in the presence of a desired carboxylate link is an essential feature of this strategy, which resulted in the design of an isoreticular (having the same framework topology) series of sixteen well-defined materials whose crystals have open space representing up to 91.1% of the crystal volume, and homogeneous periodic pores that can be incrementally varied from 3.8 to 28.8 angstroms. Unlike the unpredictable nature of zeolite and other molecular sieve syntheses, the deliberate control exercised at the molecular level in the design of these crystals is expected to have tremendous implications on materials properties and future technologies. Indeed, data indicate that members of this series represent the first monocrystalline mesoporous organic/inorganic frameworks, and exhibit the highest capacity for methane storage (155 cm3/cm3 at 36 atm) and the lowest densities (0.41 to 0.21 g/cm3) attained to date for any crystalline material at room temperature.

  18. Adsorption and Separation of Light Gases on an Amino-Functionalized Metal–Organic Framework: An Adsorption and In Situ XRD Study

    SciTech Connect (OSTI)

    Couck S.; Stavitski E.; Gobehiya, E.; Kirschhock, C.E.A.; Serra-Crespo, P.; Juan-Alcaniz, J.; Martinez Joaristi, A.; Gascon, J.; Kapteijn, F.; Baron, G. V.; Denayer J.F.M.

    2012-02-29T23:59:59.000Z

    The NH{sub 2}-MIL-53(Al) metal-organic framework was studied for its use in the separation of CO{sub 2} from CH{sub 4}, H{sub 2}, N{sub 2} C{sub 2}H{sub 6} and C{sub 3}H{sub 8} mixtures. Isotherms of methane, ethane, propane, hydrogen, nitrogen, and CO{sub 2} were measured. The atypical shape of these isotherms is attributed to the breathing properties of the material, in which a transition from a very narrow pore form to a narrow pore form and from a narrow pore form to a large pore form occurs, depending on the total pressure and the nature of the adsorbate, as demonstrated by in-situ XRD patterns measured during adsorption. Apart from CO{sub 2}, all tested gases interacted weakly with the adsorbent. As a result, they are excluded from adsorption in the narrow pore form of the material at low pressure. CO{sub 2} interacted much more strongly and was adsorbed in significant amounts at low pressure. This gives the material excellent properties to separate CO{sub 2} from other gases. The separation of CO{sub 2} from methane, nitrogen, hydrogen, or a combination of these gases has been demonstrated by breakthrough experiments using pellets of NH{sub 2}-MIL-53(Al). The effect of total pressure (1-30 bar), gas composition, temperature (303-403 K) and contact time has been examined. In all cases, CO{sub 2} was selectively adsorbed, whereas methane, nitrogen, and hydrogen nearly did not adsorb at all. Regeneration of the adsorbent by thermal treatment, inert purge gas stripping, and pressure swing has been demonstrated. The NH{sub 2}-MIL-53(Al) pellets retained their selectivity and capacity for more than two years.

  19. Effect of temperature on formation of two new lanthanide metal-organic frameworks: Synthesis, characterization and theoretical studies of Tm(III)-succinate

    SciTech Connect (OSTI)

    Oliveira, Carlos Alberto F. de; Silva, Fausthon Fred da; Malvestiti, Ivani [Department of Fundamental Chemistry, UFPE, 50590-470 Recife, PE (Brazil); Malta, Valeria Rodrigues dos S. [Institute of Chemistry and Biotechnology, UFAL, 57062-970 Maceio, AL (Brazil); Dutra, Jose Diogo L.; Costa, Nivan B. da; Freire, Ricardo O. [Department of Chemistry, UFS, 49100-000 Sao Cristovao, SE (Brazil); Junior, Severino A., E-mail: salvesjr@ufpe.br [Department of Fundamental Chemistry, UFPE, 50590-470 Recife, PE (Brazil)

    2013-01-15T23:59:59.000Z

    Two new metal-organic frameworks (MOFs) have been synthesized under different hydrothermal conditions and characterized by single-crystal X-ray diffraction, infrared spectroscopy, thermogravimetric analysis, scanning electron microscopy and elemental analysis. Compound 1, crystallized in space group P1-bar with the formula [Tm{sub 2}(L){sub 3}(H{sub 2}O){sub 2}]{center_dot}H{sub 2}O, (H{sub 2}L=succinic acid), has triclinic cell parameters of a=7.61780(10), b=10.58050(10), c=12.71030(10), {alpha}=95.3130(10), {beta}=107.4370(10), {gamma}=111.0960(10) and a cell volume of 888.446(16) A{sup 3}. Compound 2, crystallized in space group I2/a with the same formula, is monoclinic, with cell parameters of a=13.77020(10), b=7.63170(10), c=17.2410(2), {beta}=101.303(10) and a cell volume of 1776.72(3) A{sup 3}. The results of this work indicate that a flexible succinate ligand that provides several modes of coordination can lead to different conformations, depending on the temperature used in the reaction. In the theoretical part of this study, semiempirical quantum chemistry methods using AM1, PM3 and PM6 models are employed to predict the structure of MOFs, calculate the geometric and crystallographic parameters, and make comparisons with experimental data. - Graphical abstract: Scheme of obtaining [Tm{sub 2}(C{sub 4}H{sub 4}O{sub 4}){sub 3}(H{sub 2}O){sub 2}]H{sub 2}O in two different crystalline phases under the influence of reaction temperature. Highlights: Black-Right-Pointing-Pointer Was synthesized new MOFs based on Tm{sup 3+} ions and succinic acid in different temperature. Black-Right-Pointing-Pointer The change in the temperature leads to two compounds with different crystalline systems. Black-Right-Pointing-Pointer The Sparkle AM1, PM3 and PM6 models were used to comparison of the theoretical and experimental cell.

  20. Thiophene-based covalent organic frameworks

    E-Print Network [OSTI]

    Bertrand, Guillaume

    We report the synthesis and characterization of covalent organic frameworks (COFs) incorporating thiophene-based building blocks. We show that these are amenable to reticular synthesis, and that bent ditopic monomers, such ...

  1. Mixed-Matric Membranes for CO2 and H2 Gas Separations Using Metal-Organic Framework and Mesoporus Hybrid Silicas

    SciTech Connect (OSTI)

    Inga Musselman; Kenneth Balkus, Jr.; John Ferraris

    2009-01-07T23:59:59.000Z

    In this work, we have investigated the separation performance of polymer-based mixed-matrix membranes containing metal-organic frameworks and mesoporous hybrid silicas. The MOF/Matrimid{reg_sign} and MOP-18/Matrimid{reg_sign} membranes exhibited improved dispersion and mechanical strength that allowed high additive loadings with reduced aggregation, as is the case of the 80 wt% MOP-18/Matrimid{reg_sign} and the 80% (w/w) Cu-MOF/Matrimid{reg_sign} membranes. Membranes with up to 60% (w/w) ZIF-8 content exhibited similar mechanical strength and improved dispersion. The H{sub 2}/CO{sub 2} separation properties of MOF/Matrimid{reg_sign} mixed-matrix membranes was improved by either keeping the selectivity constant and increasing the permeability (MOF-5, Cu-MOF) or by improving both selectivity and permeability (ZIF-8). In the case of MOF-5/Matrimid{reg_sign} mixed-matrix membranes, the H{sub 2}/CO{sub 2} selectivity was kept at 2.6 and the H{sub 2} permeability increased from 24.4 to 53.8 Barrers. For the Cu-MOF/Matrimid{reg_sign} mixed-matrix membranes, the H{sub 2}/CO{sub 2} selectivity was kept at 2.05 and the H{sub 2} permeability increased from 17.1 to 158 Barrers. These two materials introduced porosity and uniform paths that enhanced the gas transport in the membranes. When ZIF-8/Matrimid{reg_sign} mixed-matrix membranes were studied, the H{sub 2}/CO{sub 2} selectivity increased from 2.9 to 4.4 and the permeability of H{sub 2} increased from 26.5 to 35.8 Barrers. The increased H{sub 2}/CO{sub 2} selectivity in ZIF-8/Matrimid{reg_sign} membranes was explained by the sieving effect introduced by the ZIF-8 crystals (pore window 0.34 nm) that restricted the transport of molecules larger than H{sub 2}. Materials with microporous and/or mesoporous cavities like carbon aerogel composites with zeolite A and zeolite Y, and membranes containing mesoporous ZSM-5 showed sieving effects for small molecules (e.g. H{sub 2} and CO{sub 2}), however, the membranes were most selective for CO{sub 2} due to the strong interaction of the zeolites with CO{sub 2}. For example, at 30 wt% ZSM-5 loading, the CO{sub 2}/CH{sub 4} selectivity increased from 34.7 (Matrimid{reg_sign}) to 56.4. The large increase in selectivity was the result of the increase in CO{sub 2} permeability from 7.3 (Matrimid{reg_sign}) to 14.6 Barrers. At 30 wt% ZSM-5 loading, the H{sub 2}/CH{sub 4} separation was also improved from 83.3 (Matrimid{reg_sign}) to 136.7 with an increase in H{sub 2} permeability from 17.5 (Matrimid{reg_sign}) to 35.3 Barrers. The 10% carbon aerogel-zeolite A and -zeolite Y composite/Matrimid{reg_sign} membranes exhibited an increase in the CO{sub 2}/CH{sub 4} separation from 34.7 to 71.5 (zeolite A composite) and to 57.4 (zeolite Y composite); in addition, the membrane exhibited an increase in the CO{sub 2}/N{sub 2} separation from 33.1 to 50 (zeolite A composite) and to 49.4 (zeolite Y composite), indicating that these type of materials have affinity for CO{sub 2}. The inclusion of mesoporosity enhanced the dispersion of the additive allowing loadings of up to 30% (w/w) without the formation of non-selective voids.

  2. Method of stripping metals from organic solvents

    DOE Patents [OSTI]

    Todd, Terry A. (Aberdeen, ID); Law, Jack D. (Pocatello, ID); Herbst, R. Scott (Idaho Falls, ID); Romanovskiy, Valeriy N. (St. Petersburg, RU); Smirnov, Igor V. (St.-Petersburg, RU); Babain, Vasily A. (St-Petersburg, RU); Esimantovski, Vyatcheslav M. (St-Petersburg, RU)

    2009-02-24T23:59:59.000Z

    A new method to strip metals from organic solvents in a manner that allows for the recycle of the stripping agent. The method utilizes carbonate solutions of organic amines with complexants, in low concentrations, to strip metals from organic solvents. The method allows for the distillation and reuse of organic amines. The concentrated metal/complexant fraction from distillation is more amenable to immobilization than solutions resulting from current practice.

  3. Magnetism in metal-organic capsules

    E-Print Network [OSTI]

    Atwood, Jerry L.

    2010-01-01T23:59:59.000Z

    Quantum Spin Chains in Magnetism: Molecules to Materials, J.Magnetism in metal-organic capsules Jerry L. Atwood,* a Euan

  4. Crystalline Microporous Metal-Organic Frameworks: Opportunities...

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

    with an emphasis on their potential utility in controlling dye aggregation, light harvesting, and other photophysical properties will be discussed. bio: Mircea Dinc was...

  5. Computational modeling of metal-organic frameworks

    E-Print Network [OSTI]

    Sung, Jeffrey Chuen-Fai; Sung, Jeffrey Chuen-Fai

    2012-01-01T23:59:59.000Z

    listed in Table 2.1. The SPC (Single Point Charge) family ofvdW parameters. A ?exible variant of the SPC water modelis the SPC/Fw model of Voth,m which adds harmonic bond and

  6. RISK MANAGEMENT FRAMEWORK: HELPING ORGANIZATIONS IMPLEMENT EFFECTIVE INFORMATION SECURITY PROGRAMS

    E-Print Network [OSTI]

    RISK MANAGEMENT FRAMEWORK: HELPING ORGANIZATIONS IMPLEMENT EFFECTIVE INFORMATION SECURITY PROGRAMS Shirley Radack, Editor Computer Security Division Information Technology Laboratory National Institute component of every organization's information security program. An effective risk management process enables

  7. Case Study of Water-Soluble Metal Containing Organic Constituents...

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

    Case Study of Water-Soluble Metal Containing Organic Constituents of Biomass Burning Aerosol. Case Study of Water-Soluble Metal Containing Organic Constituents of Biomass Burning...

  8. Lithium-based inorganic-organic framework materials

    E-Print Network [OSTI]

    Yeung, Hamish Hei-Man

    2013-01-01T23:59:59.000Z

    This dissertation describes research into lithium-based inorganic-organic frameworks, which has led to an increased understanding of the structural diversity and properties of these materials. The crystal structures of 11 new forms of lithium...

  9. Introduction to Metal-Organic Frameworks Metal-organic frameworks, or MOFs, have emerged as an

    E-Print Network [OSTI]

    Yaghi, Omar M.

    the considerations associated with using MOFs to reduce emissions of carbon dioxide from coal-fired power plants via

  10. Metal-Organic Frameworks Based on Main Group Metals

    E-Print Network [OSTI]

    Zhao, Xiang

    2011-01-01T23:59:59.000Z

    supramolecular assemblies and another pathway to make lithium based crystalline porous materials.Supramolecular Assemblies Using Lithium Cubane Clusters as Novel Tectonics Introduction The designed synthesis of crystalline porous materials (

  11. Metal-Organic Frameworks Based on Main Group Metals

    E-Print Network [OSTI]

    Zhao, Xiang

    2011-01-01T23:59:59.000Z

    and gravimetric hydrogen storage capacity. 23 Unfortunately,storage. Such binding energy is very important for the near room temperature adsorption of hydrogen

  12. Metal-Organic Frameworks Based on Main Group Metals

    E-Print Network [OSTI]

    Zhao, Xiang

    2011-01-01T23:59:59.000Z

    2009, 38, Banerjee, D. ; Parise, J. B. Cryst. Growth Des.Banerjee, D. ; Kim, S. J. ; Parise, J. B. Cryst. Growth Des.L. A. ; Kim, S. J. ; Parise, J. B. Cryst. Growth Des. 2009,

  13. Metal-Organic Frameworks Based on Main Group Metals

    E-Print Network [OSTI]

    Zhao, Xiang

    2011-01-01T23:59:59.000Z

    aip + sdc NPO CPM-8 [NMe 2 ] 10 [In 10 (pdc) 16 (bpdc)4 ]·solvent pdc + bpdc JS-MOP CPM-9 [NMe 2 ] 10 [In 10 (pdc) 16 (1,4-ndc) 4 ]·solvent pdc +

  14. Metal-doped organic gels and method thereof

    DOE Patents [OSTI]

    Satcher, Jr., Joe H. (Patterson, CA); Baumann, Theodore F. (Tracy, CA)

    2007-10-23T23:59:59.000Z

    Disclosed herein is a sol-gel polymerization process for synthesizing metal-doped organic gels. The process polymerizes metal salts of hydroxylated benzenes or hydroxylated benzene derivatives with alkyl or aryl aldehydes to form metal-doped, wet, organic gels. The gels can then be dried by supercritical solvent extraction to form metal-doped aerogels or by evaporation to form metal-doped xerogels. The aerogels and xerogels can then be pyrolyzed.

  15. Metal-doped organic gels and method thereof

    SciTech Connect (OSTI)

    Satcher Jr., Joe H.; Baumann, Theodore F.

    2003-09-02T23:59:59.000Z

    Disclosed herein is a sol-gel polymerization process for synthesizing metal-doped organic gels. The process polymerizes metal salts of hydroxylated benzenes or hydroxylated benzene derivatives with alkyl or aryl aldehydes to form metal-doped, wet, organic gels. The gels can then be dried by supercritical solvent extraction to form metal-doped aerogels or by evaporation to form metal-doped xerogels. The aerogels and xerogels can then be pyrolyzed.

  16. Doctoral Defense "Carbon Dioxide Capture on Elastic Layered Metal-Organic

    E-Print Network [OSTI]

    Kamat, Vineet R.

    Doctoral Defense "Carbon Dioxide Capture on Elastic Layered Metal-Organic Framework Adsorbents requires drastic modifications to the current energy infrastructure. Thus, carbon capture and sequestration for use as carbon capture adsorbents. Ideal adsorbed solution theory (IAST) estimates of CO2 selectivity

  17. High Throughput Combinatorial Screening of Biometic Metal-Organic...

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

    High Throughput Combinatorial Screening of Biometic Metal-Organic Materials for Military Hydrogen-Storage Materials (New Joint Miami UNREL DoDDLA Project) (presentation) High...

  18. Metal-Organic Heat Carrier Nanofluids

    SciTech Connect (OSTI)

    McGrail, B. Peter; Thallapally, Praveen K.; Blanchard, Jeremy; Nune, Satish K.; Jenks, Jeromy WJ; Dang, Liem X.

    2013-09-01T23:59:59.000Z

    Nanofluids, dispersions of metal or oxide nanoparticles in a base working fluid, are being intensively studied due to improvements they offer in thermal properties of the working fluid. However, these benefits have been erratically demonstrated and proven impacts on thermal conductivity are modest and well described from long-established effective medium theory. In this paper, we describe a new class of metal-organic heat carrier (MOHC) nanofluid that offers potential for a larger performance boost in thermal vapor-liquid compression cycles. MOHCs are nanophase porous coordination solids designed to reversibly uptake the working fluid molecules in which the MOHCs are suspended. Additional heat can be extracted in a heat exchanger or solar collector from the endothermic enthalpy of desorption, which is then released as the nanofluid transits through a power generating device such as a turboexpander. Calculations for an R123 MOHC nanofluid indicated potential for up to 15% increase in power output. Capillary tube experiments show that liquid-vapor transitions occur without nanoparticle deposition on the tube walls provided entrance Reynolds number exceeds approximately 100.

  19. Second-harmonic generation in transition-metal-organic compounds

    SciTech Connect (OSTI)

    Frazier, C.C.; Harvey, M.A.; Cockerham, M.P.; Hand, H.M.; Chauchard, E.A.; Lee, C.H.

    1986-10-23T23:59:59.000Z

    The second-harmonic generation efficiencies of over 60 transition-metal-organic compounds in powder form were measured, using 1.06 ..mu..m light from a Nd:YAG laser. Most of the studied compounds were either group VI metal carbonyl arene, pyridyl, or chiral phosphine complexes. Four the complexes doubled the laser fundamental as well as or better than ammonium dihydrogen phosphate (ADP). The study shows that the same molecular features (e.g., conjugation and low-lying spectroscopic charge transfer) that contribute to second-order optical nonlinearity in organic compounds also enhance second-order effects in transition-metal-organic compounds.

  20. Synthesis, Postmodification, Metalation, and Gas Adsorption in Chemically Stable Metal Organic Frameworks and Zeolitic Imidazolate Frameworks.

    E-Print Network [OSTI]

    Morris, William

    2012-01-01T23:59:59.000Z

    review  on  carbon  capture  technologies,   Berkeley,  technologies. There have been several studies of carbon capture

  1. Inorganic Metal Oxide/Organic Polymer Nanocomposites And Method Thereof

    DOE Patents [OSTI]

    Gash, Alexander E. (Livermore, CA); Satcher, Joe H. (Patterson, CA); Simpson, Randy (Livermore, CA)

    2004-11-16T23:59:59.000Z

    A synthetic method for preparation of hybrid inorganic/organic energetic nanocomposites is disclosed herein. The method employs the use of stable metal in organic salts and organic solvents as well as an organic polymer with good solubility in the solvent system to produce novel nanocomposite energetic materials. In addition, fuel metal powders (particularly those that are oxophilic) can be incorporated into composition. This material has been characterized by thermal methods, energy-filtered transmission electron microscopy (EFTEM), N.sub.2 adsoprtion/desorption methods, and Fourier-Transform (FT-IR) spectroscopy. According to these characterization methods the organic polymer phase fills the nanopores of the material, providing superb mixing of the component phases in the energetic nanocomposite.

  2. Design, Synthesis, and Characterization of Porous Metal-Organic Materials

    E-Print Network [OSTI]

    Park, Jinhee

    2013-04-19T23:59:59.000Z

    Isophthalic Acid SBUs Secondary Building Units srMOP Stimuli-Responsive Metal-Organic Polyhedra viii STP Standard Temperature and Pressure TEA Triethylamine TGA Thermal Gravimetric Analysis UMC Unsaturated Metal Center UV Ultraviolet Vis Visible...).. ................. 74 IV-9 Nonlinear curve fitting of CH4 adsorption isotherms at 273 K and 295 K (a) and CH4 heat of adsorption for PCN-124 (b). ................................ 75 V-1 The trans to cis isomerization of the ligand induced by UV...

  3. Reaction Engineering with Metal-Organic Framework Catalysts

    E-Print Network [OSTI]

    Melkonian, Arek

    2013-01-01T23:59:59.000Z

    60%, high hydrogen flow of 50 ccm, and intermediate reactorare listed in Table 2.1. Propylene Flow (ccm) HydrogenFlow (ccm) Table 2.1: Propylene flows paired with different

  4. Metal-Organic Frameworks DOI: 10.1002/anie.201107534

    E-Print Network [OSTI]

    storage,[4] CO2 capture,[5] and CO2 separations.[6] Propene is an important commercial petrochemical

  5. Reaction Engineering with Metal-Organic Framework Catalysts

    E-Print Network [OSTI]

    Melkonian, Arek

    2013-01-01T23:59:59.000Z

    Propylene Oxide. Chemical and Engineering News 2004, 5.orthogonal collocation. Chemical Engineering Science 1971,Temperature Cycling. Chemical Engineering Science 1980, 35,

  6. Reaction Engineering with Metal-Organic Framework Catalysts

    E-Print Network [OSTI]

    Melkonian, Arek

    2013-01-01T23:59:59.000Z

    support effects. Applied Catalysis B: Environmental 2.methane-air combustion. Applied Catalysis A: General 2003,

  7. Reaction Engineering with Metal-Organic Framework Catalysts

    E-Print Network [OSTI]

    Melkonian, Arek

    2013-01-01T23:59:59.000Z

    hydrogenation of propylene to propane. There is a spectrumNMR spectra. The area under the propane methyl resonance ismethyl resonance. Since propane has two methyl groups, its

  8. Synthesis and Characterization of Porphyrin Containing Metal-Organic Frameworks /

    E-Print Network [OSTI]

    Butler, Derek Prescott

    2013-01-01T23:59:59.000Z

    A. A. ; Khimyak, Y. Z. ; Wiper, P. V. ; Darwent, J. R. ;A. A. ; Khimyak, Y. Z. ; Wiper, P. V. ; Darwent, J. R. ;A. A. ; Khimyak, Y. Z. ; Wiper, P. V. ; Darwent, J. R. ;

  9. An Electrically Switchable Metal-Organic Framework. | EMSL

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

    free volume in such structures of critical importance for electro-catalysis, molecular electronics, energy storage technologies, sensor devices and smart membranes. In this...

  10. Luminescent metal-organic frameworks (MOFs); a nanolaboratory...

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

    Currently, his research includes projects focused on chemical sensing, radiation detection, hydrogen storage, gas separations, and charge transfer. He is President...

  11. Functionalization of Silicon Nanowire Surfaces with MetalOrganic Frameworks

    E-Print Network [OSTI]

    Cui, Yi

    for Materials and Energy Sciences, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park of both materials and lead to new applications. We report the first example of a MOF synthesized-ray diffraction, scanning electron microscopy, transmission electron microscopy, and energy dispersive

  12. Synthesis and Characterization of Porphyrin Containing Metal-Organic Frameworks /

    E-Print Network [OSTI]

    Butler, Derek Prescott

    2013-01-01T23:59:59.000Z

    and washed (3 x 10 ml) with acetonitrile. After washing thepolar solvents, such as acetonitrile and diethyl ether arewas carried out in acetonitrile at 65 °C for 200 min using

  13. High Methane Storage Capacity in Aluminum Metal-Organic Frameworks |

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

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  14. Highly Potent Bactericidal Activity of Porous Metal-Organic Frameworks |

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

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  15. Highly porous metal-organic framework sustained with 12-connected

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

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  16. Hydrocarbon Separations in Metal-Organic Frameworks | Center for Gas

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

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  17. In silico screening of metal-organic frameworks in separation

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

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  18. Interpenetration control in metal-organic frameworks for functional

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

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  19. Introduction of Functionalized Mesopores to Metal-Organic Frameworks via

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

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  20. Isostructural Metal-Organic Frameworks Assembled from Functionalized

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

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  1. Metal-Organic Frameworks as Adsorbents for Hydrogen Purification and

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

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  2. Metal-Organic Frameworks as Biomimetic Catalysts | Center for Gas

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

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  3. Metal-Organic Frameworks for Separations | Center for Gas

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

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  4. Metal-Organic Frameworks with Precisely Designed Interior for Carbon

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearch > The EnergyCenterDioxide Capture in the Presence of Water | Center for

  5. Metal-Organic Frameworks with Precisely Designed Interior for Carbon

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearch > The EnergyCenterDioxide Capture in the Presence of Water | Center

  6. Crystalline Microporous Metal-Organic Frameworks: Opportunities in Energy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625govInstrumentstdmadapInactiveVisitingContract Management Fermi Site OfficeCourse ClustersCrystal nucleation

  7. Photochromic Metal-Organic Frameworks: Reversible Control of Singlet

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

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  8. Protein Immobilization in Metal-Organic Frameworks by Covalent Binding |

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

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  9. Rational design of metal-organic frameworks with anticipated porosities

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

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  10. Rigidifying Fluorescent Linkers by Metal-Organic Framework Formation for

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

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  11. Screening Metal-Organic Frameworks by Analysis of Transient Breakthrough

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

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  12. Selective Gas Adsorption in the Flexible Metal-Organic Frameworks

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

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  13. Stepwise Synthesis of Robust Metal-Organic Frameworks via Postsynthetic

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

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  14. Synthesis and Characterization of Metal-Organic Framework-74 Containing

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

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  15. Understanding Small Molecule Interactions in Metal-Organic Frameworks:

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

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  16. Water Adsorption in Metal-Organic Frameworks | Center for Gas

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

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  17. Zirconium-Metalloporphyrin PCN-222: Mesoporous Metal-Organic Frameworks

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

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  18. An Exceptionally Stable, Porphyrinic Zr Metal-Organic Framework

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  19. Construction of Ultrastable Porphyrin Zr Metal-Organic Frameworks through

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  20. Luminescent metal-organic frameworks (MOFs); a nanolaboratory for

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

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  1. Inorganic metal oxide/organic polymer nanocomposites and method thereof

    DOE Patents [OSTI]

    Gash, Alexander E.; Satcher, Joe H.; Simpson, Randy

    2004-03-30T23:59:59.000Z

    A synthetic method for preparation of hybrid inorganic/organic energetic nanocomposites is disclosed herein. The method employs the use of stable metal inorganic salts and organic solvents as well as an organic polymer with good solubility in the solvent system to produce novel nanocomposite energetic materials. In addition, fuel metal powders (particularly those that are oxophillic) can be incorporated into composition. This material has been characterized by thermal methods, energy-filtered transmission electron microscopy (EFTEM), N.sub.2 adsoprtion/desorption methods, and Fourier-Transform (FT-IR) spectroscopy. According to these characterization methods the organic polymer phase fills the nanopores of the composite material, providing superb mixing of the component phases in the energetic nanocomposite.

  2. SEQUESTERING AGENTS FOR ACTIVE CAPS - REMEDIATION OF METALS AND ORGANICS

    SciTech Connect (OSTI)

    Knox, A; Michael Paller, M; Danny D. Reible, D; Xingmao Ma, X; Ioana G. Petrisor, I

    2007-05-10T23:59:59.000Z

    This research evaluated organoclays, zeolites, phosphates, and a biopolymer as sequestering agents for inorganic and organic contaminants. Batch experiments were conducted to identify amendments and mixtures of amendments for metal and organic contaminants removal and retention. Contaminant removal was evaluated by calculating partitioning coefficients. Metal retention was evaluated by desorption studies in which residue from the removal studies was extracted with 1 M MgCl{sub 2} solution. The results indicated that phosphate amendments, some organoclays, and the biopolymer, chitosan, were very effective sequestering agents for metals in fresh and salt water. Organoclays were very effective sorbents for phenanthrene, pyrene, and benzo(a)pyrene. Partitioning coefficients for the organoclays were 3000-3500 ml g{sup -1} for benzo(a)pyrene, 400-450 ml g{sup -1} for pyrene, and 50-70 ml g{sup -1} for phenanthrene. Remediation of sites with a mixture of contaminants is more difficult than sites with a single contaminant because metals and organic contaminants have different fate and transport mechanisms in sediment and water. Mixtures of amendments (e.g., organoclay and rock phosphate) have high potential for remediating both organic and inorganic contaminants under a broad range of environmental conditions, and have promise as components in active caps for sediment remediation.

  3. Hydrothermal synthesis, crystal structures and photoluminescence properties of mixed europium-yttrium organic frameworks

    SciTech Connect (OSTI)

    Han Yinfeng [Department of Chemistry, CICECO, University of Aveiro, 3810-193 Aveiro (Portugal); Department of Chemistry and Environmental Science, Taishan University, Taian 271021 (China); Fu Lianshe [Department of Physics, CICECO, University of Aveiro, 3810-193 Aveiro (Portugal); Mafra, Luis, E-mail: lmafra@ua.pt [Department of Chemistry, CICECO, University of Aveiro, 3810-193 Aveiro (Portugal); Shi, Fa-Nian, E-mail: fshi@ua.pt [Department of Chemistry, CICECO, University of Aveiro, 3810-193 Aveiro (Portugal)

    2012-02-15T23:59:59.000Z

    Three mixed europium-yttrium organic frameworks: Eu{sub 2-x}Y{sub x}(Mel)(H{sub 2}O){sub 6} (Mel=mellitic acid or benzene-1,2,3,4,5,6-hexacarboxylic acid, x=0.38 1, 0.74 2, and 0.86 3) have been synthesized and characterized. All the compounds contain a 3-D net with (4, 8)-flu topology. The study indicates that the photoluminescence properties are effectively affected by the different ratios of europium and yttrium ions, the quantum efficiency is increased and the Eu{sup 3+} lifetime becomes longer in these MOFs than those of the Eu analog. - Graphical abstract: Three mixed europium and yttrium organic frameworks: Eu{sub 2-x}Y{sub x}(Mel)(H{sub 2}O){sub 6} (Mel=mellitic acid) have been synthesized and characterized. All the compounds contain a 3-D net with (4, 8)-flu topology. The study indicates that the photoluminescence properties are effectively affected by the different ratios of europium and yttrium ions, the quantum efficiency is increased and the Eu{sup 3+} lifetime becomes longer in these MOFs than those of the Eu analog. Highlights: Black-Right-Pointing-Pointer Three (4, 8)-flu topological mixed Eu and Y MOFs were synthesized under mild conditions. Black-Right-Pointing-Pointer Metal ratios were refined by the single crystal data consistent with the EDS analysis. Black-Right-Pointing-Pointer Mixed Eu and Y MOFs show longer lifetime and higher quantum efficiency than the Eu analog. Black-Right-Pointing-Pointer Adding inert lanthanide into luminescent MOFs enlarges the field of luminescent MOFs.

  4. Use of metal organic fluors for spectral discrimination of neutrons and gammas.

    SciTech Connect (OSTI)

    Allendorf, Mark D.; Doty, F. Patrick; Feng, Patrick L.

    2010-09-01T23:59:59.000Z

    A new method for spectral shape discrimination (SSD) of fast neutrons and gamma rays has been investigated. Gammas interfere with neutron detection, making efficient discrimination necessary for practical applications. Pulse shape discrimination (PSD) in liquid organic scintillators is currently the most effective means of gamma rejection. The hazardous liquids, restrictions on volume, and the need for fast timing are drawbacks to traditional PSD scintillators. In this project we investigated harvesting excited triplet states to increase scintillation yield and provide distinct spectral signatures for gammas and neutrons. Our novel approach relies on metal-organic phosphors to convert a portion of the energy normally lost to the scintillation process into useful luminescence with sub-microsecond lifetimes. The approach enables independent control over delayed luminescence wavelength, intensity, and timing for the first time. We demonstrated that organic scintillators, including plastics, nanoporous framework materials, and oil-based liquids can be engineered for both PSD and SSD.

  5. Electron-Vibron Coupling at Metal-Organic Interfaces

    E-Print Network [OSTI]

    Rosenow, Phil; Tonner, Ralf

    2015-01-01T23:59:59.000Z

    We study the significance and characteristics of interfacial dynamical charge transfer at metal-organic interfaces for the model system of organic semiconductor NTCDA on Ag(111). We combine infrared absorption spectroscopy and dispersion-corrected density functional theory calculations to analyze dynamic dipole moments and electron-vibron coupling at the interface. We demonstrate that interfacial dynamical charge transfer is the dominant cause of infrared activity in these systems and that it correlates with results from partial charge and density of states analysis. Nuclear motion generates an additional dynamic dipole moment but represents a minor effect except for modes with significant out-of-plane amplitudes.

  6. Conduction properties of metal/organic monolayer/semiconductor heterostructures

    SciTech Connect (OSTI)

    Li, D.; Bishop, A.; Gim, Y.; Shi, X.B.; Fitzsimmons, M.R.; Jia, Q.X. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)] [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

    1998-11-01T23:59:59.000Z

    We have fabricated and characterized rectifying devices made of metal/organic monolayer/semiconductor heterostructures. The devices consist of an organic barrier layer sandwiched between an aluminum (Al) metal contact and a {ital p}-type Si semiconductor. The barrier materials were chosen from three types of self-assembled monolayers (SAMs) with different electronic properties: (1) wide-band gap poly(diallydimethyl ammonium) chloride (PDDA), (2) narrow-band gap PDDA/NiPc (nickel phthalocyanine tetrasulfonate), and (3) donor type PDDA/PPP (poly {ital p}-quaterphenylene-disulfonic-dicarboxylic acid). From current{endash}voltage (I{endash}V) measurements at room temperature, we have found the turn-on voltage of the devices can be tuned by varying the structure, hence electronic properties, of the organic monolayers, and that there exists a power-law dependence of {ital I} on V, I{proportional_to}V{sup {alpha}}, with the exponent {alpha}=2.2 for PDDA, 2.7 for PDDA/NiPc, and 1.44 for PDDA/PPP as the barrier layer, respectively. Our results imply that the transport properties are controlled by both the electronic properties of the SAMs and those of the metal and semiconductor, as indicated by the power-law dependence of the I{endash}V characteristics. {copyright} {ital 1998 American Institute of Physics.}

  7. Composites for removing metals and volatile organic compounds and method thereof

    DOE Patents [OSTI]

    Coronado, Paul R. (Livermore, CA); Coleman, Sabre J. (Oakland, CA); Reynolds, John G. (San Ramon, CA)

    2006-12-12T23:59:59.000Z

    Functionalized hydrophobic aerogel/solid support structure composites have been developed to remove metals and organic compounds from aqueous and vapor media. The targeted metals and organics are removed by passing the aqueous or vapor phase through the composite which can be in molded, granular, or powder form. The composites adsorb the metals and the organics leaving a purified aqueous or vapor stream. The species-specific adsorption occurs through specific functionalization of the aerogels tailored towards specific metals and/or organics. After adsorption, the composites can be disposed of or the targeted metals and/or organics can be reclaimed or removed and the composites recycled.

  8. Metal Organic Heat Carriers for Enhanced Geothermal Systems | Department of

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your Density Isn't YourTransport(FactDepartment3311, 3312), OctoberMayEnergy Metal Organic Heat Carriers for

  9. Embedding metal electrodes in thick active layers for ITO-free plasmonic organic solar cells

    E-Print Network [OSTI]

    Park, Namkyoo

    Embedding metal electrodes in thick active layers for ITO-free plasmonic organic solar cells%) in optical absorption over both a conventional ITO organic solar cell and a conventional plasmonic organic solar cell with top-loaded metallic grating is predicted in the proposed structure. Optimal positioning

  10. Isomerism in Metal-Organic Frameworks: "Framework Isomers" | Center

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearch > The Energy Materials Center atdiffusivities in mesoporesSources Thefor

  11. A Route to Metal-Organic Frameworks through Framework Templating | Center

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItem NotEnergy, science,SpeedingWu,IntelligenceYou are70 Years ofA BriefT 2 A N N UA L

  12. Trace metal contamination of waters, sediments, and organisms of the Swan Lake area of Galveston Bay

    E-Print Network [OSTI]

    Park, Junesoo

    1995-01-01T23:59:59.000Z

    facility (Gulf Coast Waste Disposal Authority) is located north of the Wah Chang Ditch. Consequently there have been concerns about possible metal contamination in this area. I determined trace metal concentrations in water, sediments, and organisms (oyster...

  13. Storage of Hydrogen, Methane, and Carbon Dioxide in Highly Porous Covalent Organic Frameworks for Clean Energy

    E-Print Network [OSTI]

    Yaghi, Omar M.

    Storage of Hydrogen, Methane, and Carbon Dioxide in Highly Porous Covalent Organic Frameworks, and carbon dioxide isotherm measurements were performed at 1-85 bar and 77-298 K on the evacuated forms for COF-5, 65 mg g-1 for COF-6, 87 mg g-1 for COF-8, and 80 mg g-1 for COF-10; carbon dioxide at 298 K

  14. A conceptual framework to understand retailers' logistics1 and transport organization illustrated for groceries' goods2

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    A conceptual framework to understand retailers' logistics1 and transport organization ­ illustrated38 * Corresponding author9 10 11 1 IFSTTAR,12 Production Systems, logistics, Transport Organisation as retailers, through in-house or51 outsourced logistics deliveries to points of sale, have a high share

  15. New metal-organic nanomaterials synthesized by laser irradiation of organic liquids

    SciTech Connect (OSTI)

    Kuzmin, Stanislav L.; Wesolowski, Michal J.; Duley, Walter W. [Department of Physics and Astronomy, University of Waterloo, 200 University Avenue West, Waterloo, ON N2L 3G1 (Canada)

    2014-03-31T23:59:59.000Z

    A new type of metal-organic composition consisting of clusters of nanoparticles has been synthesised by laser irradiation of metallocene/benzene solutions. The metallocene molecules in this reaction become the source of the metal. Exposure to high-energy femtosecond laser pulses dehydrogenate benzene molecules and initiate the high-temperature high-pressure conditions that results in the synthesis of new materials. Irradiation experiments have been carried out on ferrocene/benzene and on other solutions. With ferrocene the synthesis of a new compound has been confirmed by X-ray powder diffraction as the peaks detected do not correspond to any known substance in the Crystallography Open Database. Theoretical simulation of the periodic structure of this new carbide predicts that it has hexagonal symmetry and a unit cell with a = 3.2A and c =2.8A. The exact structure is still uncertain but may be determined from scanning tunneling microscope (STM) studies.

  16. Three-Dimensional Porous Metal?Metalloporphyrin Framework Consisting of Nanoscopic Polyhedral Cages

    SciTech Connect (OSTI)

    Wang, Xi-Sen; Meng, Le; Cheng, Qigan; Kim, Chungsik; Wojtas, Lukasz; Chrzanowski, Matthew; Chen, Yu-Sheng; Zhang, X. Peter; Ma, Shengqian (USF); (UC)

    2012-02-07T23:59:59.000Z

    An unprecedented nanoscopic polyhedral cage-containing metal-metalloporphyrin framework, MMPF-1, has been constructed from a custom-designed porphyrin ligand, 5,15-bis(3,5-dicarboxyphenyl)porphine, that links Cu{sub 2}(carboxylate){sub 4} moieties. A high density of 16 open copper sites confined within a nanoscopic polyhedral cage has been achieved, and the packing of the porphyrin cages via an 'ABAB' pattern affords MMPF-1 ultramicropores which render it selective toward adsorption of H{sub 2} and O{sub 2} over N{sub 2}, and CO{sub 2} over CH{sub 4}.

  17. Understanding ligand-centred photoluminescence through flexibility and bonding of anthraquinone inorganic?organic frameworks

    SciTech Connect (OSTI)

    Furman, Joshua D.; Burwood, Ryan P.; Tang, Min; Mikhailovsky, Alexander A.; Cheetham, Anthony K. (Cambridge); (UCSB)

    2011-11-17T23:59:59.000Z

    Five novel inorganic-organic framework compounds containing the organic chromophore ligand anthraquinone-2,3-dicarboxylic acid (abbreviated H{sub 2}AQDC) and calcium (CaAQDC), zinc (ZnAQDC), cadmium (CdAQDC), manganese (MnAQDC), and nickel (NiAQDC), respectively, have been synthesized. The photoluminescence of these materials is only visible at low temperatures and this behaviour has been evaluated in terms of ligand rigidity. It is proposed that the 2,3 position bonding sites result in luminescence-quenching ligand motion, as supported by X-ray diffraction and temperature-dependent luminescence studies.

  18. Vapor-Phase Metalation by Atomic Layer Deposition in a Metal-Organic Framework

    E-Print Network [OSTI]

    encompass deposition onto micro- and nanopowders14 and coating of nanoparticle films15 as well as aerogel coating of porous materials that exhibit ultrahigh-aspect ratios.12,13 To date, some striking examples

  19. Metal Insertion in a Microporous Metal-Organic Framework Lined with 2,2-Bipyridine

    E-Print Network [OSTI]

    and Biochemistry, UniVersity of California-Los Angeles, 607 East Charles E. Young DriVe, Los Angeles, California diffraction data show 1 to be isostructural with Al(OH)(bpdc).7 A full-pattern decomposition of the data. Based upon the refinement, it is clear that Al(OH)(bpydc) crystallizes as an sra net with a rod

  20. CO2 Dynamics in a Metal-Organic Framework with Open Metal Sites Xueqian Kong,*,,

    E-Print Network [OSTI]

    remains elusive. To fill this gap, we performed in situ 13 C NMR measurements of CO2 adsorbed in Mg2(dobdc from dry flue gas. We applied in situ 13 C NMR spectroscopy to investigate CO2 adsorbed in Mg2(dobdc regarding CO2 adsorption dynamics in MOFs, however, remains sparse and has impeded the systematic molecular

  1. Supramolecular structures and metal-organic frameworks based on metal dipyrrin building blocks

    E-Print Network [OSTI]

    Halper, Sara R.

    2006-01-01T23:59:59.000Z

    synthesis involved the Sonogashira coupling of 4- ethynylbenzaldehyde and iodopentafluorobenzene, condensation with pyrrole,

  2. Supramolecular structures and metal-organic frameworks based on metal dipyrrin building blocks

    E-Print Network [OSTI]

    Halper, Sara R.

    2006-01-01T23:59:59.000Z

    gamma GC gas chromatography h hour x hfacac hexafluoroacetylacetonate H 2 O water, hydrate HRMS high-resolution mass spectrometry

  3. Supramolecular structures and metal-organic frameworks based on metal dipyrrin building blocks

    E-Print Network [OSTI]

    Halper, Sara R.

    2006-01-01T23:59:59.000Z

    mM AgBF 4 , and 1.0 mL acetonitrile (total volume 4.0 mL)mM AgBF 4 , and 1.0 mL acetonitrile (total volume 4.0 mL)mM AgOTf, and 1.0 mL acetonitrile (total volume 4.0 mL) the

  4. Metal Insertion in a Microporous Metal-Organic Framework Lined with 2,2

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearch > The EnergyCenter (LMI-EFRC)MaRIETechnologiesMesdi Systems'-Bipyridine |

  5. Metal binding in an aluminum based metal-organic framework for carbon

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearch > The EnergyCenter (LMI-EFRC)MaRIETechnologiesMesdi Systems'-Bipyridine

  6. Noble Gas Adsorption in Metal-Organic Frameworks Containing Open Metal

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearch > The EnergyCenterDioxideDocumentationThreeNewsfuel combustion |No

  7. Probing CO2 Adsorption in Metal-Organic Frameworks with Open Metal Sites |

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearch > TheNuclear Press Releases ArchiveServices » Guidance »Center for Gas

  8. Understanding CO2 Dynamics in Metal-Organic Frameworks wit Open Metal

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearch >Internship Program TheSite Map Site Map HomeUSSites | Center for Gas

  9. Water Adsorption in Metal-Organic Frameworks with Open-Metal Sites | Center

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearch >Internship Program TheSiteEureka AnalyticsLargeHome PageTechnologiesfor

  10. CO2 Dynamics in a Metal-Organic Framework with Open Metal Sites | Center

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItem NotEnergy,ARMForms About Batteries BatteriesCAESMission Welcomefor Gas

  11. CO2 Dynamics in a Metal-Organic Framework with Open Metal Sites | Center

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItem NotEnergy,ARMForms About Batteries BatteriesCAESMission Welcomefor Gasfor Gas

  12. Ionothermal Synthesis and Magnetic Studies of Novel Two-Dimensional Metal-Formate Frameworks

    SciTech Connect (OSTI)

    Calderone, P.; Feygenson, M.; Forster, P.M.; Borkowski, L.A.; Teat, S.J. Aronson, M.C.; Parise, J.B.

    2011-03-21T23:59:59.000Z

    Five novel two-dimensional frameworks containing formate-bridged metal-centered octahedra are synthesized ionothermally from two ionic liquids previously unused as solvents in hybrid synthesis, 2-hydroxyethylammonium (HEA) formate, and 1-hydroxy-3-proplyammonium (HPA) formate. Templating effects of the cation from each ionic liquid drive the formation of different structures. [NH{sub 3}C{sub 2}H{sub 4}OH]{sub 2}[M(CHO{sub 2}){sub 4}] (1: M = Co, 2: M = Ni) exhibit the same stoichiometry and connectivity as their manganese analogue (3: M = Mn), but the manganese form exhibits a different topology from 1 and 2. [NH{sub 3}C{sub 3}H6OH][M(CHO{sub 2}){sub 3}(H{sub 2}O)] (4: M = Co, 5: M = Mn) were synthesized using the HPA formate ionic liquid with a metal-formate connectivity related to those of 1-3. Canted antiferromagnetic ordering occurs at low temperatures (1: T{sub N} = 7.0 K, 2: T{sub N} = 4.6 K, 3: T{sub N} = 8.0 K, 4: T{sub N} = 7.0 K, 5: T{sub N} = 9.2 K), similar to the magnetic properties previously reported for other metal-formate hybrid materials.

  13. EXPERIMENTAL INVESTIGATION OF ORGANIC MEMS BASED CONDUCTIVE POLYMER-METAL COMPOSITE

    E-Print Network [OSTI]

    Kassegne, Samuel Kinde

    EXPERIMENTAL INVESTIGATION OF ORGANIC MEMS BASED CONDUCTIVE POLYMER-METAL COMPOSITE Diego State University, 2012 This research investigates SU-8/Ag conductive polymer composite of conductive polymer composite. Microscopic analysis using 3D microscope carried out for agglomeration

  14. Transport band gap opening at metal–organic interfaces

    SciTech Connect (OSTI)

    Haidu, Francisc, E-mail: francisc.haidu@physik.tu-chemnitz.de; Salvan, Georgeta; Zahn, Dietrich R. T. [Semiconductor Physics, Technische Universität Chemnitz, D-09107 Chemnitz (Germany); Smykalla, Lars; Hietschold, Michael [Solid Surfaces Analysis, Technische Universität Chemnitz, D-09107 Chemnitz (Germany); Knupfer, Martin [Electronic and Optical Properties Department, IFW Dresden, D-01171 Dresden (Germany)

    2014-07-01T23:59:59.000Z

    The interface formation between copper phthalocyanine (CuPc) and two representative metal substrates, i.e., Au and Co, was investigated by the combination of ultraviolet photoelectron spectroscopy and inverse photoelectron spectroscopy. The occupied and unoccupied molecular orbitals and thus the transport band gap of CuPc are highly influenced by film thickness, i.e., molecule substrate distance. Due to the image charge potential given by the metallic substrates the transport band gap of CuPc “opens” from (1.4?±?0.3) eV for 1?nm thickness to (2.2?±?0.3) eV, and saturates at this value above 10?nm CuPc thickness. The interface dipoles with values of 1.2?eV and 1.0?eV for Au and Co substrates, respectively, predominantly depend on the metal substrate work functions. X-ray photoelectron spectroscopy measurements using synchrotron radiation provide detailed information on the interaction between CuPc and the two metal substrates. While charge transfer from the Au or Co substrate to the Cu metal center is present only at sub-monolayer coverages, the authors observe a net charge transfer from the molecule to the Co substrate for films in the nm range. Consequently, the Fermi level is shifted as in the case of a p-type doping of the molecule. This is, however, a competing phenomenon to the energy band shifts due to the image charge potential.

  15. Surfactant Organic Molecules Restore Magnetism in Metal-Oxide Nanoparticle Surfaces

    E-Print Network [OSTI]

    Pennycook, Steve

    acid and the nanoparticles would prevent further oxidation to Fe2O3, which could be detrimental functional calculations, we establish the key role of the nonmagnetic organic acid cappiSurfactant Organic Molecules Restore Magnetism in Metal-Oxide Nanoparticle Surfaces Juan Salafranca

  16. Metal oxide/organic interface investigations for photovoltaic devices

    E-Print Network [OSTI]

    Pachoumi, Olympia

    2014-10-07T23:59:59.000Z

    organic photovoltaics is investigated. We show that using these ternary oxides can lead to superior devices by: prevent- ing a dipole forming between the oxide and the active organic layer in a model ZnMO / P3HT:PCBM OPV as well as lead to improved surface...

  17. Contrary interfacial exciton dissociation at metal/organic interface in regular and reverse configuration organic solar cells

    SciTech Connect (OSTI)

    Wu, Bo; Wu, Zhenghui; Tam, Hoi Lam; Zhu, Furong, E-mail: frzhu@hkbu.edu.hk [Department of Physics, Institute of Advanced Materials, and Institute of Research and Continuing Education (Shenzhen), Hong Kong Baptist University, 224 Waterloo Road, Kowloon Tong, NT (Hong Kong)

    2014-09-08T23:59:59.000Z

    An opposite interfacial exciton dissociation behavior at the metal (Al)/organic cathode interface in regular and inverted organic solar cells (OSCs) was analyzed using transient photocurrent measurements. It is found that Al/organic contact in regular OSCs, made with the blend layer of poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b?]dithiophene-2,6-diyl] -[3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]-thiophenediyl

  18. Development of New Biphasic Metal Organic Working Fluids for...

    Open Energy Info (EERE)

    principally from sensible heat gained while passing through the heat exchanger in the liquid state and from vaporization of the organic working fluid near the exit of the heat...

  19. Metal-Containing Organic and Carbon Aerogels for Hydrogen Storage

    SciTech Connect (OSTI)

    Satcher, Jr., J H; Baumann, T F; Herberg, J L

    2005-01-10T23:59:59.000Z

    This document and the accompanying manuscript summarize the technical accomplishments of our one-year LDRD-ER effort. Hydrogen storage and hydrogen fuel cells are important components of the 2003 Hydrogen Fuel Initiative focused on the reduction of America's dependence on oil. To compete with oil as an energy source, however, one must be able to transport and utilize hydrogen at or above the target set by DOE (6 wt.% H{sub 2}) for the transportation sector. Other than liquid hydrogen, current technology falls well short of this DOE target. As a result, a variety of materials have recently been investigated to address this issue. Carbon nanostructures have received significant attention as hydrogen storage materials due to their low molecular weight, tunable microporosity and high specific surface areas. For example, the National Renewable Energy Laboratory (NREL) achieved 5 to 10 wt.% H{sub 2} storage using metal-doped carbon nanotubes. That study showed that the intimate mix of metal nanoparticles with graphitic carbon resulted in the unanticipated hydrogen adsorption at near ambient conditions. The focus of our LDRD effort was the investigation of metal-doped carbon aerogels (MDCAs) as hydrogen storage materials. In addition to their low mass densities, continuous porosities and high surface areas, these materials are promising candidates for hydrogen storage because MDCAs contain a nanometric mix of metal nanoparticles and graphitic nanostructures. For FY04, our goals were to: (1) prepare a variety of metal-doped CAs (where the metal is cobalt, nickel or iron) at different densities and carbonization temperatures, (2) characterize the microstructure of these materials and (3) initiate hydrogen adsorption/desorption studies to determine H2 storage properties of these materials. Since the start of this effort, we have successfully prepared and characterized Ni- and Co-doped carbon aerogels at different densities and carbonization temperatures. The bulk of this work is described in the attached manuscript entitled 'Formation of Carbon Nanostructures in Cobalt- and Nickel- Doped Carbon Aerogels'. This one-year effort has lead to our incorporation into the DOE Carbon-based Hydrogen Storage Center of Excellence at NREL, with funding from DOE's Energy Efficiency and Renewable Energy (EERE) Program starting in FY05.

  20. Metal binding to dissolved organic matter and adsorption to ferrihydrite in shallow peat groundwaters: Application to diamond exploration

    E-Print Network [OSTI]

    Metal binding to dissolved organic matter and adsorption to ferrihydrite in shallow peat t The speciation and solubility of kimberlite pathfinder metals (Ni, Nd, Ba and K) in shallow peat ground- waters with kimberlite pathfinder metals and determine the spatial distribution of those metals in shallow peat

  1. Surfactant biocatalyst for remediation of recalcitrant organics and heavy metals

    DOE Patents [OSTI]

    Brigmon, Robin L. (North Augusta, SC); Story, Sandra (Greenville, SC); Altman, Denis J. (Evans, GA); Berry, Christopher J. (Aiken, SC)

    2011-05-03T23:59:59.000Z

    Novel strains of isolated and purified bacteria have been identified which have the ability to degrade petroleum hydrocarbons including a variety of PAHs. Several isolates also exhibit the ability to produce a biosurfactant. The combination of the biosurfactant-producing ability along with the ability to degrade PAHs enhances the efficiency with which PAHs may be degraded. Additionally, the biosurfactant also provides an additional ability to bind heavy metal ions for removal from a soil or aquatic environment.

  2. Surfactant biocatalyst for remediation of recalcitrant organics and heavy metals

    DOE Patents [OSTI]

    Brigmon, Robin L. (North Augusta, SC); Story, Sandra (Greenville, SC); Altman, Denis (Evans, GA); Berry, Christopher J. (Aiken, SC)

    2009-01-06T23:59:59.000Z

    Novel strains of isolated and purified bacteria have been identified which have the ability to degrade petroleum hydrocarbons including a variety of PAHs. Several isolates also exhibit the ability to produce a biosurfactant. The combination of the biosurfactant-producing ability along with the ability to degrade PAHs enhances the efficiency with which PAHs may be degraded. Additionally, the biosurfactant also provides an additional ability to bind heavy metal ions for removal from a soil or aquatic environment.

  3. Surfactant biocatalyst for remediation of recalcitrant organics and heavy metals

    DOE Patents [OSTI]

    Brigmon, Robin L. (North Augusta, SC); Story, Sandra (Greenville, SC); Altman; Denis J. (Evans, GA); Berry, Christopher J. (Aiken, SC)

    2011-03-29T23:59:59.000Z

    Novel strains of isolated and purified bacteria have been identified which have the ability to degrade petroleum hydrocarbons including a variety of PAHs. Several isolates also exhibit the ability to produce a biosurfactant. The combination of the biosurfactant-producing ability along with the ability to degrade PAHs enhances the efficiency with which PAHs may be degraded. Additionally, the biosurfactant also provides an additional ability to bind heavy metal ions for removal from a soil or aquatic environment.

  4. Surfactant biocatalyst for remediation of recalcitrant organics and heavy metals

    DOE Patents [OSTI]

    Brigmon, Robin L. (North Augusta, SC); Story, Sandra (Greenville, SC); Altman, Denis J. (Evans, GA); Berry, Christopher J. (Aiken, SC)

    2011-03-15T23:59:59.000Z

    Novel strains of isolated and purified bacteria have been identified which have the ability to degrade petroleum hydrocarbons including a variety of PAHs. Several isolates also exhibit the ability to produce a biosurfactant. The combination of the biosurfactant-producing ability along with the ability to degrade PAHs enhances the efficiency with which PAHs may be degraded. Additionally, the biosurfactant also provides an additional ability to bind heavy metal ions for removal from a soil or aquatic environment.

  5. Ferromagnetic Coupling of Mononuclear Fe Centers in a Self-Assembled Metal-Organic Network on Au(111)

    E-Print Network [OSTI]

    Kuch, Wolfgang

    Grenoble, France 3 Center for Supramolecular Interactions, Freie Universita¨t Berlin, Arnimallee 14, 14195.37.Ef, 75.30.Et, 78.70.Dm As the size of a magnetic material decreases, the stabil- ity-symmetry metal-organic structures and periodic networks [9­11]. In bulk metal-organic materials, the organic

  6. Direct Measurement of Adsorbed Gas Redistribution in Metal-Organic

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItem NotEnergy,ARMFormsGasRelease Date: Contact: Shelley Martin,Frameworks | Center for

  7. Cooperative Template-Directed Assembly of Mesoporous Metal-Organic

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItem NotEnergy,ARMFormsGas SeparationsRelevant toSite MapContact UsP-27ControlFrameworks

  8. Metal speciation in landfill leachates with a focus on the influence of organic matter

    SciTech Connect (OSTI)

    Claret, Francis, E-mail: f.claret@brgm.fr [BRGM, 3 avenue C. Guillemin, BP 6009, 45060 Orleans (France); Tournassat, Christophe; Crouzet, Catherine; Gaucher, Eric C. [BRGM, 3 avenue C. Guillemin, BP 6009, 45060 Orleans (France); Schaefer, Thorsten [Karlsruhe Institute of Technology (KIT), Institute for Nuclear Waste Disposal (INE), P.O. Box 3640, 76021 Karlsruhe (Germany); Freie Universitaet Berlin, Institute of Geological Sciences, Department of Earth Sciences, Hydrogeology Group, D-12249 Berlin (Germany); Braibant, Gilles; Guyonnet, Dominique [BRGM, 3 avenue C. Guillemin, BP 6009, 45060 Orleans (France)

    2011-09-15T23:59:59.000Z

    Highlights: > This study characterises the heavy-metal content in leachates collected from eight landfills in France. > Most of the metals are concentrated in the <30 kDa fraction, while Pb, Cu and Cd are associated with larger particles. > Metal complexation with OM is not sufficient to explain apparent supersaturation of metals with sulphide minerals. - Abstract: This study characterises the heavy-metal content in leachates collected from eight landfills in France. In order to identify heavy metal occurrence in the different size fractions of leachates, a cascade filtration protocol was applied directly in the field, under a nitrogen gas atmosphere to avoid metal oxidation. The results of analyses performed on the leachates suggest that most of the metals are concentrated in the <30 kDa fraction, while lead, copper and cadmium show an association with larger particles. Initial speciation calculations, without considering metal association with organic matter, suggest that leachate concentrations in lead, copper, nickel and zinc are super-saturated with respect to sulphur phases. Speciation calculations that account for metal complexation with organic matter, considered as fulvic acids based on C1(s) NEXAFS spectroscopy, show that this mechanism is not sufficient to explain such deviation from equilibrium conditions. It is therefore hypothesized that the deviation results also from the influence of biological activity on the kinetics of mineral phase precipitation and dissolution, thus providing a dynamic system. The results of chemical analyses of sampled fluids are compared with speciation calculations and some implications for the assessment of metal mobility and natural attenuation in a context of landfill risk assessment are discussed.

  9. A Multi-scale Framework for Thermo-viscoelastic Analysis of Fiber Metal Laminates

    E-Print Network [OSTI]

    Sawant, Sourabh P.

    2010-01-14T23:59:59.000Z

    Fiber Metal Laminates (FML) are hybrid composites with alternate layers of orthotropic fiber reinforced polymers (FRP) and isotropic metal alloys. FML can exhibit a nonlinear thermo-viscoelastic behavior under the influence of external mechanical...

  10. Metal-Organic Honeycomb Nanomeshes with Tunable Cavity Size

    E-Print Network [OSTI]

    Brune, Harald

    as single domains. They are shape resistant in the presence of further deposited materials and represent templates to organize guest species and realize molecular rotary systems. Supramolecular chemistry with its-confined supramolecular chemistry,7 which will offer an exquisite tool for the massively parallel construction of extended

  11. Composition and process for organic and metal contaminant fixation in soil

    DOE Patents [OSTI]

    Schwitzgebel, Klaus (7507 Chimney Corners, Austin, TX 78731)

    1994-02-08T23:59:59.000Z

    A method and compositions using a first ferrous iron containing solution with the iron concentration in excess of theoretical requirements to treat a contaminated site to reduce hexavalent chromium to trivalent chromium and coprecipitate trivalent chromium with other heavy metals and using a second solution of silicate containing a destabilizing salt to form a relatively impermeable gel in the contaminated site thereby fixing metals and organics to the extent that there should be no detectable ground water contamination.

  12. Metal Speciation in Landfill Leachates with a Focus on the Influence of Organic Matter

    SciTech Connect (OSTI)

    F Claret; C Tournassat; C Crouzet; E Gaucher; T Schäfer; G Braibant; D Guyonnet

    2011-12-31T23:59:59.000Z

    This study characterizes the heavy-metal content in leachates collected from eight landfills in France. In order to identify heavy metal occurrence in the different size fractions of leachates, a cascade filtration protocol was applied directly in the field, under a nitrogen gas atmosphere to avoid metal oxidation. The results of analyses performed on the leachates suggest that most of the metals are concentrated in the <30 kDa fraction, while lead, copper and cadmium show an association with larger particles. Initial speciation calculations, without considering metal association with organic matter, suggest that leachate concentrations in lead, copper, nickel and zinc are super-saturated with respect to sulphur phases. Speciation calculations that account for metal complexation with organic matter, considered as fulvic acids based on C1(s) NEXAFS spectroscopy, show that this mechanism is not sufficient to explain such deviation from equilibrium conditions. It is therefore hypothesized that the deviation results also from the influence of biological activity on the kinetics of mineral phase precipitation and dissolution, thus providing a dynamic system. The results of chemical analyses of sampled fluids are compared with speciation calculations and some implications for the assessment of metal mobility and natural attenuation in a context of landfill risk assessment are discussed.

  13. Hybrid metal organic scintillator materials system and particle detector

    DOE Patents [OSTI]

    Bauer, Christina A.; Allendorf, Mark D.; Doty, F. Patrick; Simmons, Blake A.

    2011-07-26T23:59:59.000Z

    We describe the preparation and characterization of two zinc hybrid luminescent structures based on the flexible and emissive linker molecule, trans-(4-R,4'-R') stilbene, where R and R' are mono- or poly-coordinating groups, which retain their luminescence within these solid materials. For example, reaction of trans-4,4'-stilbenedicarboxylic acid and zinc nitrate in the solvent dimethylformamide (DMF) yielded a dense 2-D network featuring zinc in both octahedral and tetrahedral coordination environments connected by trans-stilbene links. Similar reaction in diethylformamide (DEF) at higher temperatures resulted in a porous, 3-D framework structure consisting of two interpenetrating cubic lattices, each featuring basic to zinc carboxylate vertices joined by trans-stilbene, analogous to the isoreticular MOF (IRMOF) series. We demonstrate that the optical properties of both embodiments correlate directly with the local ligand environments observed in the crystal structures. We further demonstrate that these materials produce high luminescent response to proton radiation and high radiation tolerance relative to prior scintillators. These features can be used to create sophisticated scintillating detection sensors.

  14. Seleno groups control the energy-level alignment between conjugated organic molecules and metals

    SciTech Connect (OSTI)

    Niederhausen, Jens; Heimel, Georg; Wilke, Andreas; Rabe, Jürgen P. [Institut für Physik, Humboldt-Universität zu Berlin, 12489 Berlin (Germany)] [Institut für Physik, Humboldt-Universität zu Berlin, 12489 Berlin (Germany); Duhm, Steffen [Graduate School of Advanced Integration Science, Chiba University, Chiba 263-8522 (Japan) [Graduate School of Advanced Integration Science, Chiba University, Chiba 263-8522 (Japan); Institute of Functional Nano and Soft Materials (FUNSOM), Soochow University, Suzhou 215123 (China); Bürker, Christoph; Schreiber, Frank [Institut für Angewandte Physik, Universität Tübingen, 72076 Tübingen (Germany)] [Institut für Angewandte Physik, Universität Tübingen, 72076 Tübingen (Germany); Xin, Qian [Graduate School of Advanced Integration Science, Chiba University, Chiba 263-8522 (Japan) [Graduate School of Advanced Integration Science, Chiba University, Chiba 263-8522 (Japan); School of Physics, Shandong University, 27 Shanda Nanlu, Jinan 250100 (China); Vollmer, Antje [Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, BESSY II, 12489 Berlin (Germany)] [Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, BESSY II, 12489 Berlin (Germany); Kera, Satoshi; Ueno, Nobuo [Graduate School of Advanced Integration Science, Chiba University, Chiba 263-8522 (Japan)] [Graduate School of Advanced Integration Science, Chiba University, Chiba 263-8522 (Japan); Koch, Norbert [Institut für Physik, Humboldt-Universität zu Berlin, 12489 Berlin (Germany) [Institut für Physik, Humboldt-Universität zu Berlin, 12489 Berlin (Germany); Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, BESSY II, 12489 Berlin (Germany)

    2014-01-07T23:59:59.000Z

    The charge injection from metallic electrodes into hole transporting layers of organic devices often suffers from deviations from vacuum-level alignment at the interface. Even for weakly interacting cases, Pauli repulsion causes an interface dipole between the metal and conjugated organic molecules (COMs) (so called “push-back” or “cushion” effect), which leads notoriously to an increase of the hole injection barrier. On the other hand, for chalcogenol self assembled monolayers (SAMs) on metal surfaces, chemisorption via the formation of chalcogen-metal bonds is commonly observed. In these cases, the energy-level alignment is governed by chalcogen-derived interface states in the vicinity of the metal Fermi-level. In this work, we present X-ray and ultraviolet photoelectron spectroscopy data that demonstrate that the interfacial energy-level alignment mechanism found for chalcogenol SAMs also applies to seleno-functionalized COMs. This can be exploited to mitigate the push-back effect at metal contacts, notably also when COMs with low ionization energies are employed, permitting exceedingly low hole injection barriers, as shown here for the interfaces of tetraseleno-tetracene with Au(111), Ag(111), and Cu(111)

  15. Anthraquinone with Tailored Structure for Nonaqueous Metal-Organic Redox Flow Battery

    SciTech Connect (OSTI)

    Wang, Wei; Xu, Wu; Cosimbescu, Lelia; Choi, Daiwon; Li, Liyu; Yang, Zhenguo

    2012-06-08T23:59:59.000Z

    A nonaqueous, hybrid metal-organic redox flow battery based on tailored anthraquinone structure is demonstrated to have an energy efficiency of {approx}82% and a specific discharge energy density similar to aqueous redox flow batteries, which is due to the significantly improved solubility of anthraquinone in supporting electrolytes.

  16. Metal-organic scintillator crystals for X-ray, gamma ray, and neutron detection

    DOE Patents [OSTI]

    Boatner, Lynn A (Oak Ridge, TN); Kolopus, James A. (Clinton, TN); Neal, John S (Knoxville, TN); Ramey, Joanne Oxendine (Knoxville, TN); Wisniewski, Dariusz J (Torun, PL)

    2012-01-03T23:59:59.000Z

    New metal-organic materials are useful as scintillators and have the chemical formula LX.sub.3(CH.sub.3OH).sub.4 where L is Y, Sc, or a lanthanide element, and X is a halogen element. An example of the scintillator materials is CeCl.sub.3(CH.sub.3OH).sub.4.

  17. Role of natural organic matter in governing the bioavailability of toxic metals to american oysters 

    E-Print Network [OSTI]

    Haye, Jennifer Marcelle

    2006-08-16T23:59:59.000Z

    ) organic biopolymers, tagged with gamma-emitting radioactive metal ions (110mAg, 109Cd, 57Co, 51Cr, 59Fe, 203Hg and 65Zn) or 14C (to sugar OH groups). Natural COM was obtained from Galveston Bay water by 0.5µm filtration, followed by cross...

  18. Electrochemical Nanoscale Templating: Laterally Self-Aligned Growth of Organic-Metal Nanostructures

    E-Print Network [OSTI]

    Borguet, Eric

    attractive for a wide range of applications such as the fabrication of nanoscale devices, energy storage of nanostructures into 2D or 3D arrays is necessary for the further hierarchical development of devices. TemplatingElectrochemical Nanoscale Templating: Laterally Self-Aligned Growth of Organic-Metal Nanostructures

  19. The Effect of Metal Salts on Quantification of Elemental and Organic Carbon in Diesel Exhaust

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    The Effect of Metal Salts on Quantification of Elemental and Organic Carbon in Diesel Exhaust-loaded diesel samples. Estimated TC was calculated from the BC concentration measured by optical transmissometer and linear relationship between TC and BC, TC (µg)= 1.78 ×BC(µg) - 21.97, derived from diesel reference

  20. New Cerium-Based Metal-Organic Scintillators for Radiation Detection

    SciTech Connect (OSTI)

    Boatner, Lynn A [ORNL; Neal, John S [ORNL; Ramey, Joanne Oxendine [ORNL; Chakoumakos, Bryan C [ORNL; Custelcean, Radu [ORNL; Van Loef, Edgar [Radiation Monitoring Devices, Watertown, MA; Markosyan, G [Radiation Monitoring Devices, Watertown, MA

    2013-01-01T23:59:59.000Z

    We have previously shown that a new class of scintillating materials can be developed based on the synthesis and crystal growth of rare-earth metal-organic compounds. The first scintillator of this type consisted of single crystals of CeCl3(CH3OH)4 that were grown from a methanol solution. These crystals were shown to be applicable to both gamma-ray and fast neutron detection. Subsequently, metal-organic scintillators consisting of the compound LaBr3(CH3OH)4 activated with varying levels of Ce3+ and of CeBr3(CH3OH)4 were grown in single crystal form. We have now extended the development of this new class of scintillators to more complex organic components by reacting rare-earth halides such as CeCl3 or CeBr3 with different isomers of propanol and butanol including 1-propanol, isobutanol, n-butanol, and tert-butanol. The reaction of CeCl3 or CeBr3 with these organics results in the formation of new and relatively complex molecular crystals whose structures were determined using single-crystal X-ray diffraction. These new metal-organic scintillating materials were grown in single crystal form from solution, and their scintillation characteristics have been investigated using X-ray-excited luminescence plus energy spectra obtained with gamma-ray and alpha-particle sources. If the reactions between the inorganic and organic components are not carried out under very dry and highly controlled conditions, molecular structures can be formed that incorporate waters of hydration. The present observation of scintillation in these hydrated rare-earth metal-organic compounds is apparently an original finding, since we are not aware of any previous reports of scintillation being observed in a material that incorporates waters of hydration

  1. Elemental imaging of organic matter and associated metals in ore deposits using micro PIXE and micro-EBS

    E-Print Network [OSTI]

    Devernal, Anne

    Elemental imaging of organic matter and associated metals in ore deposits using micro PIXE Uranium Witwatersrand a b s t r a c t Micro-PIXE and micro-EBS analyses were carried out on samples from of organic matter in the formation of this deposit. Micro-PIXE and Micro-EBS shows a very complex metal

  2. Modeling Ferro- and Antiferromagnetic Interactions in Metal-Organic Coordination Networks

    E-Print Network [OSTI]

    Faraggi, Marisa N; Stepanow, Sebastian; Tseng, Tzu-Chun; Abdurakhmanova, Nasiba; Kley, Christopher Seiji; Langner, Alexander; Sessi, Violetta; Kern, Klaus; Arnau, Andres

    2014-01-01T23:59:59.000Z

    Magnetization curves of two rectangular metal-organic coordination networks formed by the organic ligand TCNQ (7,7,8,8-tetracyanoquinodimethane) and two different (Mn and Ni) 3d transition metal atoms [M(3d)] show marked differences that are explained using first principles density functional theory and model calculations. We find that the existence of a weakly dispersive hybrid band with M(3d) and TCNQ character crossing the Fermi level is determinant for the appearance of ferromagnetic coupling between metal centers, as it is the case of the metallic system Ni-TCNQ but not of the insulating system Mn-TCNQ. The spin magnetic moment localized at the Ni atoms induces a significant spin polarization in the organic molecule; the corresponding spin density being delocalized along the whole system. The exchange interaction between localized spins at Ni centers and the itinerant spin density is ferromagnetic. Based on two different model Hamiltonians, we estimate the strength of exchange couplings between magnetic ...

  3. Substrate and environmental controls on microbial assimilation of soil organic carbon: a framework for Earth System Models

    SciTech Connect (OSTI)

    Xu, Xiaofeng [ORNL] [ORNL; Schimel, Joshua [University of California, Santa Barbara] [University of California, Santa Barbara; Thornton, Peter E [ORNL] [ORNL; Song, Xia [ORNL] [ORNL; Yuan, Fengming [ORNL] [ORNL; Goswami, Santonu [ORNL] [ORNL

    2014-01-01T23:59:59.000Z

    Microbial assimilation of soil organic carbon is one of the fundamental processes of global carbon cycling and it determines the magnitude of microbial biomass in soils. Mechanistic understanding of microbial assimilation of soil organic carbon and its controls is important for to improve Earth system models ability to simulate carbon-climate feedbacks. Although microbial assimilation of soil organic carbon is broadly considered to be an important parameter, it really comprises two separate physiological processes: one-time assimilation efficiency and time-dependent microbial maintenance energy. Representing of these two mechanisms is crucial to more accurately simulate carbon cycling in soils. In this study, a simple modeling framework was developed to evaluate the substrate and environmental controls on microbial assimilation of soil organic carbon using a new term: microbial annual active period (the length of microbes remaining active in one year). Substrate quality has a positive effect on microbial assimilation of soil organic carbon: higher substrate quality (lower C:N ratio) leads to higher ratio of microbial carbon to soil organic carbon and vice versa. Increases in microbial annual active period from zero stimulate microbial assimilation of soil organic carbon; however, when microbial annual active period is longer than an optimal threshold, increasing this period decreases microbial biomass. The simulated ratios of soil microbial biomass to soil organic carbon are reasonably consistent with a recently compiled global dataset at the biome-level. The modeling framework of microbial assimilation of soil organic carbon and its controls developed in this study offers an applicable ways to incorporate microbial contributions to the carbon cycling into Earth system models for simulating carbon-climate feedbacks and to explain global patterns of microbial biomass.

  4. A Physically Based Framework for Modelling the Organic Fractionation of Sea Spray Aerosol from Bubble Film Langmuir Equilibria

    SciTech Connect (OSTI)

    Burrows, Susannah M.; Ogunro, O.; Frossard, Amanda; Russell, Lynn M.; Rasch, Philip J.; Elliott, S.

    2014-12-19T23:59:59.000Z

    The presence of a large fraction of organic matter in primary sea spray aerosol (SSA) can strongly affect its cloud condensation nuclei activity and interactions with marine clouds. Global climate models require new parameterizations of the SSA composition in order to improve the representation of these processes. Existing proposals for such a parameterization use remotely-sensed chlorophyll-a concentrations as a proxy for the biogenic contribution to the aerosol. However, both observations and theoretical considerations suggest that existing relationships with chlorophyll-a, derived from observations at only a few locations, may not be representative for all ocean regions. We introduce a novel framework for parameterizing the fractionation of marine organic matter into SSA based on a competitive Langmuir adsorption equilibrium at bubble surfaces. Marine organic matter is partitioned into classes with differing molecular weights, surface excesses, and Langmuir adsorption parameters. The classes include a lipid-like mixture associated with labile dissolved organic carbon (DOC), a polysaccharide-like mixture associated primarily with semi-labile DOC, a protein-like mixture with concentrations intermediate between lipids and polysaccharides, a processed mixture associated with recalcitrant surface DOC, and a deep abyssal humic-like mixture. Box model calculations have been performed for several cases of organic adsorption to illustrate the underlying concepts. We then apply the framework to output from a global marine biogeochemistry model, by partitioning total dissolved organic carbon into several classes of macromolecule. Each class is represented by model compounds with physical and chemical properties based on existing laboratory data. This allows us to globally map the predicted organic mass fraction of the nascent submicron sea spray aerosol. Predicted relationships between chlorophyll-\\textit{a} and organic fraction are similar to existing empirical parameterizations, but can vary between biologically productive and non-productive regions, and seasonally within a given region. Major uncertainties include the bubble film thickness at bursting and the variability of organic surfactant activity in the ocean, which is poorly constrained. In addition, marine colloids and cooperative adsorption of polysaccharides may make important contributions to the aerosol, but are not included here. This organic fractionation framework is an initial step towards a closer linking of ocean biogeochemistry and aerosol chemical composition in Earth system models. Future work should focus on improving constraints on model parameters through new laboratory experiments or through empirical fitting to observed relationships in the real ocean and atmosphere, as well as on atmospheric implications of the variable composition of organic matter in sea spray.

  5. Role of natural organic matter in governing the bioavailability of toxic metals to american oysters

    E-Print Network [OSTI]

    Haye, Jennifer Marcelle

    2006-08-16T23:59:59.000Z

    ligand properties related to their A- or B-type (hard or soft) character, influencing their interactions with other particles. For instance, Cd, Hg, Zn, and Ag are B-type or transition metals preferring sulfur-containing ligands to N- or O... in these experiments: Alginic Acid (AA), Carrageenan (C) -Type 1 or kappa and natural colloidal organic carbon (COC). While alginic acid has coagulant properties, and carrageenans have anticoagulant and antiviral properties (Libes, 1992), both are used as emulsifiers...

  6. Hydrogen Storage in a Microporous Metal-Organic Framework with Exposed Mn2+ Coordination Sites

    E-Print Network [OSTI]

    and EnVironmental Sciences Laboratory, General Motors Corporation, Warren, Michigan 48090, College, Berkeley. General Motors Corp. Purdue University. § NIST Center for Neutron Research. | University of Engineering, Purdue UniVersity, West Lafayette, Indiana 47907, Center for Neutron Research, National Institute

  7. Molecular simulation studies of metal organic frameworks focusing on hydrogen purification 

    E-Print Network [OSTI]

    Banu, Ana Maria

    2014-06-30T23:59:59.000Z

    The process of purifying hydrogen gas using pressure swing adsorption columns heavily relies on highly efficient adsorbents. Such materials must be able to selectively adsorb a large amount of impurities, and must also ...

  8. Molecular simulations studies of gas adsorption in metal–organic frameworks 

    E-Print Network [OSTI]

    Chen, Linjiang

    2014-06-30T23:59:59.000Z

    Using computational tools ranging from molecular simulations – including both Monte Carlo and molecular dynamics methods – to quantum mechanical (QM) calculations (primarily at density functional theory (DFT) level), ...

  9. Metal-Organic Framework Thin Films Composed of Free-Standing Acicular Nanorods Exhibiting Reversible Electrochromism

    E-Print Network [OSTI]

    they can be used as smart windows, display devices, vehicle sunroofs, and antiglare mirrors for cars.2-14 Their high permanent porosity,15 nanostructured pores, and tunable pore compositions have led to their consideration for a remarkably broad range of applications, including gas storage,16 chemical separations,17

  10. Theoretical Limits of Hydrogen Storage in Metal-Organic Frameworks: Opportunities and Trade-Offs

    E-Print Network [OSTI]

    Cafarella, Michael J.

    assessed. Here we employ data mining and automated structure analysis to identify, "cleanup," and rapidly within the Cambridge Structural Database (CSD), many of whose gas uptake properties have not been, and permanent, open pore geometries, MOFs have emerged as promising materials for gas storage and separations,10

  11. Computational studies of the breathing motion of the metal -organic framework DMOF-1

    E-Print Network [OSTI]

    Grosch, Jason Scott

    2011-01-01T23:59:59.000Z

    Hydrogen Storage ..that shows hysteresis on desorption. Hydrogen StorageHydrogen storage in MOFs is an active area of experimental

  12. Multistep N2 Breathing in the Metal-Organic Framework Co(1,4-benzenedipyrazolate)

    E-Print Network [OSTI]

    to external stimuli can render them excellent candidates as sensors for the evalu- ation of adsorbent. Variable-temperature magnetic susceptibility measurements and in situ infrared and UV-vis-NIR spectroscopic

  13. & Surface Chemistry Water-Stable Zirconium-Based MetalOrganic Framework Material

    E-Print Network [OSTI]

    candidates as replacements for gasoline (petrol). However, their compact storage in molecular form, es

  14. Water Adsorption in Porous Metal-Organic Frameworks and Related Hiroyasu Furukawa,,

    E-Print Network [OSTI]

    Yaghi, Omar M.

    is important for many applications such as dehumidification, thermal batteries, and delivery of drinking water-driven heat exchangers3 for use as air-conditioning units in vehicles (heating and cooling are respectively batteries),4 w

  15. Rational Design, Synthesis, Purification, and Activation of Metal-Organic Framework

    E-Print Network [OSTI]

    these unusual properties in applica- tions such as hydrogen and methane storage, chemical separa- tions, and selective chemical catalysis. In principle, one of the most attractive features of MOFs is the simplicity separation of desired MOFs from crystalline and amorphous contaminants cogenerated during synthesis based

  16. Functionalization of metal-organic frameworks with metalloligands and postsynthetic modification

    E-Print Network [OSTI]

    Garibay, Sergio J.

    2011-01-01T23:59:59.000Z

    spectrometry ix Et 2 O Diethyl ether EtOH Ethanol ee Enantiomeric excess FT-IR Fourier transform infrared spectroscopy Gamma

  17. Mechanical Properties of Zeolitic Metal-Organic Frameworks: Mechanically Flexible Topologies and Stabilization against Structural Collapse

    E-Print Network [OSTI]

    Bennett, T.D.; Sotelo, J.; Tan, J.C.; Moggach, S.A.

    2014-11-14T23:59:59.000Z

    , Phys. Rev. Lett., 2012, 108, 095502. 13. T. D. Bennett, J. C. Tan, S. A. Moggach, R. Galvelis, C. Mellot- Draznieks, B. A. Reisner, A. Thirumurugan, D. R. Allan and A. K. Cheetham, Chem.-Eur. J., 2010, 16, 10684-10690. 14. F. X. Coudert, Phys Chem... . J. T. Hughes, T. D. Bennett, A. K. Cheetham and A. Nayrotsky, J. Am. Chem. Soc., 2013, 135, 598-601. 29. Y. H. Hu and L. Zhang, Phys. Rev. B., 2010, 81. 30. A. J. Graham, D. R. Allan, A. Muszkiewicz, C. A. Morrison and S. A. Moggach, Angew. Chem...

  18. Generation and Applications of Structure Envelopes for Metal-Organic Frameworks 

    E-Print Network [OSTI]

    Yakovenko, Andrey A.

    2013-04-18T23:59:59.000Z

    ?? overlapped generated for MOF-5 overlapped with its structural model. .................................... 116 Figure 44 Final Pawley whole pattern decomposition plots for (a) Cu2TPTC-OEt, (b) Cu2TPTC-O nPr and (c) Cu2TPTC-O nHex samples.... ................................................................ 121 Figure 45 Difference envelope density ?? plots generated for (a) Cu2TPTC-OEt, (b) Cu2TPTC-O nPr and (c) Cu2TPTC-O nHex samples overlapped with NOTT-106 structural model (without methyl groups on the central phenyl ring of (L7)4- ligand...

  19. Designing Higher Surface Area Metal-Organic Frameworks: Are Triple Bonds Better Than Phenyls?

    E-Print Network [OSTI]

    hydrogen is a compelling alternative to gasoline in many respects, high- density storage is a significant applications, including gas storage,4-8 gas and chemical separations,9-12 chemical catalysis,13,14 sensing,15-board H2 storage systems for the year 2017: 5.5 wt % in gravimetric capacity and 40 g/L of volumetric

  20. Computational Evaluation of Metal-Organic Frameworks for CO2 Capture

    E-Print Network [OSTI]

    Yu, Jiamei

    2013-03-20T23:59:59.000Z

    of commercial CCS projects. Depending on the generation of CO2, there are mainly three basic CO2 separation and capture options: pre-combustion capture, oxy-fuel combustion and post-combustion capture.4 Pre-combustion capture mainly involves the reactions..., the expensive cost and the public resistance for new construction of plants are other concerns. Oxy-fuel combustion requires pure oxygen rather than air for the burning, therefore, the production of pure oxygen significantly increases the cost...

  1. Enhanced CO2 Capture in Metal-Organic Frameworks | Center for Gas

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItem NotEnergy,ARMFormsGasReleaseSpeeches Energy Speeches RSS

  2. Functional Mesoporous Metal-Organic Frameworks for the Capture of Heavy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItem NotEnergy,ARMFormsGasReleaseSpeechesHall ATours,

  3. High Methane Storage Capacity in Aluminum Metal-Organic Frameworks (MOFs)

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItem NotEnergy,ARMFormsGasReleaseSpeechesHallNot Logged3 HanfordHarry| Center for Gas

  4. Hydrocarbon Separations in a Metal-Organic Framework with Open Iron(II)

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

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  5. Increasing the Stability of Metal-Organic Frameworks | Center for Gas

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  6. Large-Pore Apertures in a Series of Metal-Organic Frameworks | Center for

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  7. Ligand-Assisted Enhancement of CO2 Capture in Metal-Organic Frameworks |

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  8. Mail-Order Metal-Organic Frameworks (MOFs) | Center for Gas

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  9. Mail-Order Metal-Organic Frameworks (MOFs): Designing Isoreticular MOF-5

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  10. Mapping of Functional Groups in Metal-Organic Frameworks | Center for Gas

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  11. Metal-Organic Frameworks Based on Previously Unknown Zr8/Hf Cubic

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  12. Metal-Organic Frameworks Capture CO2 From Coal Gasification Flue Gas |

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  13. Nitrogen/oxygen separations in metal-organic frameworks for clean fossil

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  14. Novel Metal-Organic Frameworks | Center for Gas SeparationsRelevant to

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  15. Probing Adsorption Interactions In Metal-Organic Framework Using X-ray

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  16. Recent advances in carbon dioxide capture with metal-organic frameworks |

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  17. Robust Metal-Organic Framework with An Octatopic Ligand for Gas

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  18. Separation of Hexane Isomers in a Metal-Organic Framework with Triangular

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  19. Small molecule adsorption in open-site metal-organic frameworks: a

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  20. Stable metal-organic frameworks containing single-molecule traps for enzyme

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  1. Stimulus CO2 adsorption in Metal-Organic Frameworks | Center for Gas

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  2. Symmetry-Guided Synthesis of Highly Porous Metal-Organic Frameworks with

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  3. The Chemistry and Applications of Metal-Organic Frameworks | Center for Gas

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  4. The Chemistry and Applications of Metal-Organic Frameworks | Center for Gas

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  5. Tuning the Formations of Metal-Organic Frameworks by Modification of

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  6. Tuning the Moisture and Thermal Stability of Metal-Organic Frameworks

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  7. Tuning the Topology and Functionality of Metal-Organic Frameworks by

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  8. Ultrastable Metal-Organic Frameworks with Large Channels | Center for Gas

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  9. Water Adsorption in Porous Metal-Organic Frameworks and Related Materials

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  10. "Heterogeneity within Order" in Metal-Organic Frameworks | Center for

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  11. A Highly Porous and Robust (3,3,4)-Connected Metal-Organic Framework

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  12. A Highly Stable Porphyrinic Zirconium Metal-Organic Framework with shp-a

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  13. A porous metal-organic framework with helical chain building units

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  14. A versatile metal-organic framework for carbon dioxide capture and

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  15. Ab initio Carbon Capture in Open-Site Metal Organic Frameworks | Center for

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  16. Ab-initio Carbon Capture in Open-Site Metal Organic Frameworks | Center for

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  17. CO2 Capture by Metal-Organic Frameworks with van der Waals Density

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  18. Computational screening of porous metal-organic frameworks and zeolites for

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  19. Cooperative insertion of CO2 in diamine-appended metal-organic frameworks |

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  20. High-Throughput Methodology for Discovery of Metal-Organic Frameworks with

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

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  1. Sandia Energy - Sandia Metal-Organic Framework LDRD Research Published in

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

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  2. New Porous Lanthanide-Organic Frameworks: Synthesis, Characterization, and Properties of Lanthanide 2,6-Naphthalenedicarboxylates

    E-Print Network [OSTI]

    Gao, Song

    to avoid the interpenetration of networks. Thus far, porous coordination polymers have centered. However, the main problem encountered in designing such coordination polymers is the interpenetration. The interpenetration of frameworks can fre- quently be seen in lanthanide coordination polymers be- cause many

  3. Monitoring hydrocarbons and trace metals in Beaufort Sea sediments and organisms. Final report

    SciTech Connect (OSTI)

    Boehm, P.; LeBlanc, L.; Trefry, J.; Marajh-Whittemore, P.; Brown, J.

    1990-10-01T23:59:59.000Z

    As part of the Minerals Management Service's environmental studies of oil and gas exploration and production activities in the Alaskan Beaufort Sea, a study was conducted in 1989 to monitor the marine environment for inputs of chemicals related to drilling and exploration. The 1989 Beaufort Sea Monitoring Program (BSMP) was designed to monitor sediments and selected benthic organisms for trace metals and hydrocarbons so as to infer any changes that might have resulted from drilling and production activities. A series of 49 stations were sampled during the program. The study area extended from Cape Halkett on the western end of Harrison Bay to Griffin Point, east of Barter Island. The sampling design combined an area-wide approach in which stations were treated as replicates of 8 specific geographic regions, with an activity-specific approach, which focused on the potential establishment of metal or hydrocarbon concentration gradients with distance from the Endicott Production Field in Prudhoe Bay. The analytical program focused on the analysis of the fine-fraction of the sediment for a series of trace metals and elements and the analysis of a suite of saturated and aromatic hydrocarbons in the bulk sediment. The total organic carbon (TOB) content and the grain size distribution in the sediments were determined as well. Benthic bivalve molluscs, representative of several feeding types were collected from those stations for which data previously existed from the 1984-1986 BSMP, and were analyzed for metals and saturated and aromatic hydrocarbons. The benthic amphipods were collected, pooled by station or region, and analyzed as well.

  4. Effect of residual gases in high vacuum on the energy-level alignment at noble metal/organic interfaces

    SciTech Connect (OSTI)

    Helander, M. G.; Wang, Z. B.; Lu, Z. H.

    2011-10-31T23:59:59.000Z

    The energy-level alignment at metal/organic interfaces has traditionally been studied using ultraviolet photoelectron spectroscopy (UPS) in ultra-high vacuum (UHV). However, since most devices are fabricated in high vacuum (HV), these studies do not accurately reflect the interfaces in real devices. We demonstrate, using UPS measurements of samples prepared in HV and UHV and current-voltage measurements of devices prepared in HV, that the small amounts of residual gases that are adsorbed on the surface of clean Cu, Ag, and Au (i.e., the noble metals) in HV can significantly alter the energy-level alignment at metal/organic interfaces.

  5. The vertebrate taxonomy ontology: a framework for reasoning across model organism and species phenotypes

    E-Print Network [OSTI]

    Midford, Peter E.; Dececchi, Thomas Alex; Balhoff, James P.; Dahdul, Wasila M.; Ibrahim, Nizar; Lapp, Hilmar; Lundberg, John G.; Mabee, Paula M.; Sereno, Paul C.; Westerfield, Monte; Vision, Todd J.; Blackburn, David C.

    2013-11-22T23:59:59.000Z

    A hierarchical taxonomy of organisms is a prerequisite for semantic integration of biodiversity data. Ideally, there would be a single, expansive, authoritative taxonomy that includes extinct and extant taxa, information ...

  6. The vertebrate taxonomy ontology: a framework for reasoning across model organism and species phenotypes

    E-Print Network [OSTI]

    Midford, Peter E.; Dececchi, Thomas Alex; Balhoff, James P.; Dahdul, Wasila M.; Ibrahim, Nizar; Lapp, Hilmar; Lundberg, John G.; Mabee, Paula M.; Sereno, Paul C.; Westerfield, Monte; Vision, Todd J.; Blackburn, David C.

    2013-11-22T23:59:59.000Z

    Background: A hierarchical taxonomy of organisms is a prerequisite for semantic integration of biodiversity data. Ideally, there would be a single, expansive, authoritative taxonomy that includes extinct and extant taxa, ...

  7. Design and implementation of a continuous improvement framework for an organic photovoltaic panels manufacturer

    E-Print Network [OSTI]

    Colaci, Gregorio

    2011-01-01T23:59:59.000Z

    The MIT MEng Team worked at Konarka Technologies, the world leader organic photovoltaic panels (OPV) manufacturer, on several improvement projects. The concentration was on operations improvement as well as production ...

  8. The enterprise architecting framework applied to the supply organization of a sourcing management center of excellence

    E-Print Network [OSTI]

    Villegas Kavanagh, Leon Felipe

    2008-01-01T23:59:59.000Z

    The basis to develop this thesis was performed after executing an internship in ABB Inc. The main objective of the study was to design the organization to operate the procurement function at a new manufacturing campus.The ...

  9. III-nitride quantum cascade detector grown by metal organic chemical vapor deposition

    SciTech Connect (OSTI)

    Song, Yu, E-mail: yusong@princeton.edu; Huang, Tzu-Yung; Badami, Pranav; Gmachl, Claire [Department of Electrical Engineering, Princeton University, Princeton, New Jersey 08540 (United States); Bhat, Rajaram; Zah, Chung-En [Corning Incorporated, Corning, New York 14831 (United States)

    2014-11-03T23:59:59.000Z

    Quantum cascade (QC) detectors in the GaN/Al{sub x}Ga{sub 1?x}N material system grown by metal organic chemical vapor deposition are designed, fabricated, and characterized. Only two material compositions, i.e., GaN as wells and Al{sub 0.5}Ga{sub 0.5}N as barriers are used in the active layers. The QC detectors operates around 4??m, with a peak responsivity of up to ?100??A/W and a detectivity of up to 10{sup 8} Jones at the background limited infrared performance temperature around 140?K.

  10. Elemental imaging of organic matter and associated metals in ore deposits using micro PIXE and micro-EBS

    E-Print Network [OSTI]

    Elemental imaging of organic matter and associated metals in ore deposits using micro PIXE matter Gold Uranium Witwatersrand a b s t r a c t Micro-PIXE and micro-EBS analyses were carried out the role of organic matter in the formation of this deposit. Micro-PIXE and Micro-EBS shows a very complex

  11. Wireless Sensing Framework for Long-Term Measurements of Electric Organ Discharge

    E-Print Network [OSTI]

    Misra, Satyajayant

    monitoring and visualization of the electric organ discharges (EOD) of a weakly electric fish (Sternopygus of multiple fish residing in separate tanks. Furthermore, the sensing mechanisms used to detect EOD are non-invasive, minimizing side effects on the fishs' natural behavior. Commercial-off-the- shelf (COTS) components are used

  12. High mobility single-crystalline-like GaAs thin films on inexpensive flexible metal substrates by metal-organic chemical vapor deposition

    SciTech Connect (OSTI)

    Dutta, P., E-mail: pdutta2@central.uh.edu; Rathi, M.; Gao, Y.; Yao, Y.; Selvamanickam, V. [Department of Mechanical Engineering, University of Houston, Houston, Texas 77204 (United States); Zheng, N.; Ahrenkiel, P. [Department of Nanoscience and Nanoengineering, South Dakota School of Mines and Technology, Rapid City, South Dakota 57701 (United States); Martinez, J. [Materials Evaluation Laboratory, NASA Johnson Space Center, Houston, Texas 77085 (United States)

    2014-09-01T23:59:59.000Z

    We demonstrate heteroepitaxial growth of single-crystalline-like n and p-type doped GaAs thin films on inexpensive, flexible, and light-weight metal foils by metal-organic chemical vapor deposition. Single-crystalline-like Ge thin film on biaxially textured templates made by ion beam assisted deposition on metal foil served as the epitaxy enabling substrate for GaAs growth. The GaAs films exhibited strong (004) preferred orientation, sharp in-plane texture, low grain misorientation, strong photoluminescence, and a defect density of ?10{sup 7?}cm{sup ?2}. Furthermore, the GaAs films exhibited hole and electron mobilities as high as 66 and 300?cm{sup 2}/V-s, respectively. High mobility single-crystalline-like GaAs thin films on inexpensive metal substrates can pave the path for roll-to-roll manufacturing of flexible III-V solar cells for the mainstream photovoltaics market.

  13. Transition Metal Catalyzed Reactions of Carbohydrates: a Nonoxidative Approach to Oxygenated Organics

    SciTech Connect (OSTI)

    Andrews, Mark

    1997-01-08T23:59:59.000Z

    There is a critical need for new environmentally friendly processes in the United States chemical industry as legislative and economic pressures push the industry to zero-waste and cradle-to-grave responsibility for the products they produce. Carbohydrates represent a plentiful, renewable resource, which for some processes might economically replace fossil feedstocks. While the conversion of biomass to fuels, is still not generally economical, the selective synthesis of a commodity or fine chemical, however, could compete effectively if appropriate catalytic conversion systems can be found. Oxygenated organics, found in a variety of products such as nylon and polyester, are particularly attractive targets. We believe that with concerted research efforts, homogeneous transition metal catalyzed reactions could play a significant role in bringing about this future green chemistry technology.

  14. Hybrid organic/inorganic coatings for abrasion resistance on plastic and metal substrates

    SciTech Connect (OSTI)

    Wen, J.; Jordens, K.; Wilkes, G.L. [Virginia Polytechnic Inst. and State Univ., Blacksburg, VA (United States)

    1996-12-31T23:59:59.000Z

    Novel abrasion resistant coatings have been successfully prepared by the sol-gel method. These materials are spin coated onto bisphenol-A polycarbonate, diallyl diglycol carbonate resin (CR-39) sheet, aluminum, and steel substrates and are thermally cured to obtain a transparent coating of a few microns in thickness. Following the curing, the abrasion resistance is measured and compared with an uncoated control. It was found that these hybrid organic/inorganic networks partially afford excellent abrasion resistance to the polycarbonate substrates investigated. In addition to having excellent abrasion resistance comparable to current commercial coatings, some newly developed systems are also UV resistant. Similar coating formulations applied to metals can greatly improve the abrasion resistance despite the fact that the coatings are lower in density than their substrates.

  15. Simple formula for the interspaces of periodic grating structures self-organized on metal surfaces by femtosecond laser ablation

    SciTech Connect (OSTI)

    Hashida, Masaki; Ikuta, Yoshinobu; Miyasaka, Yasuhiro; Tokita, Shigeki; Sakabe, Shuji [ARCBS, Institute for Chemical Research, Kyoto University, Gokasho, Uji, Kyoto 611-0011, Japan and Department of Physics, Graduate School of Science, Kyoto University, Kitashirakawa, Sakyo, Kyoto 606-8502 (Japan)] [ARCBS, Institute for Chemical Research, Kyoto University, Gokasho, Uji, Kyoto 611-0011, Japan and Department of Physics, Graduate School of Science, Kyoto University, Kitashirakawa, Sakyo, Kyoto 606-8502 (Japan)

    2013-04-29T23:59:59.000Z

    Self-organized grating structures formed on Mo and Ti metal surfaces irradiated with femtosecond laser pulses at wavelengths of 800 and 400 nm are investigated by electron microscopy. We observe the formation of the self-organized grating structures on the metals irradiated with 400-nm laser pulses at low laser fluence in narrow fluence ranges. The interspaces of the grating structure depend on the wavelength and fluence of the laser. We find that the dependence of the grating interspaces on laser fluence can be explained by a simple formula for induction of a surface-plasma wave through the parametric decay of laser light.

  16. Mechanistic Studies of Charge Injection from Metallic Electrodes into Organic Semiconductors Mediated by Ionic Functionalities: Final Report

    SciTech Connect (OSTI)

    Nguyen, Thuc-Quyen [UCSB; Bazan, Guillermo [UCSB; Mikhailovsky, Alexander [UCSB

    2014-04-15T23:59:59.000Z

    Metal-organic semiconductor interfaces are important because of their ubiquitous role in determining the performance of modern electronics such as organic light emitting diodes (OLEDs), fuel cells, batteries, field effect transistors (FETs), and organic solar cells. Interfaces between metal electrodes required for external wiring to the device and underlying organic structures directly affect the charge carrier injection/collection efficiency in organic-based electronic devices primarily due to the mismatch between energy levels in the metal and organic semiconductor. Environmentally stable and cost-effective electrode materials, such as aluminum and gold typically exhibit high potential barriers for charge carriers injection into organic devices leading to increased operational voltages in OLEDs and FETs and reduced charge extraction in photovoltaic devices. This leads to increased power consumption by the device, reduced overall efficiency, and decreased operational lifetime. These factors represent a significant obstacle for development of next generation of cheap and energy-efficient components based on organic semiconductors. It has been noticed that introduction of organic materials with conjugated backbone and ionic pendant groups known as conjugated poly- and oligoelectrolytes (CPEs and COEs), enables one to reduce the potential barriers at the metal-organic interface and achieve more efficient operation of a device, however exact mechanisms of the phenomenon have not been understood. The goal of this project was to delineate the function of organic semiconductors with ionic groups as electron injection layers. The research incorporated a multidisciplinary approach that encompassed the creation of new materials, novel processing techniques, examination of fundamental electronic properties and the incorporation of the resulting knowledgebase into development of novel organic electronic devices with increased efficiency, environmental stability, and reduced cost. During the execution of the project, main efforts were focused on the synthesis of new charge-bearing organic materials, such as CPEs and COEs, and block copolymers with neutral and ionic segments, studies of mechanisms responsible for the charge injection modulation in devices with ionic interlayers, and use of naturally occurring charged molecules for creation of enhanced devices. The studies allowed PIs to demonstrate the usefulness of the proposed approach for the improvement of operational parameters in model OLED and FET systems resulting in increased efficiency, decreased contact resistance, and possibility to use stable metals for fabrication of device electrodes. The successful proof-of-the-principle results potentially promise development of light-weight, low fabrication cost devices which can be used in consumer applications such as displays, solar cells, and printed electronic devices. Fundamental mechanisms responsible for the phenomena observed have been identified thus advancing the fundamental knowledgebase.

  17. Linker-Induced Anomalous Emission of Organic-Molecule Conjugated Metal-Oxide Nanoparticles

    SciTech Connect (OSTI)

    Turkowski, Volodymyr; Babu, Suresh; Le, Duy; Kumar, Amit; Haldar, Manas K.; Wagh, Anil V.; Hu, Zhongjian; Karakoti, Ajay S.; Gesquiere, Andre J.; Law, Benedict; Mallik, Sanku; Rahman, Talat S.; Leuenberger, Michael N.; Seal, Sudipta

    2012-06-26T23:59:59.000Z

    Semiconductor nanoparticles conjugated with organic- and dye-molecules to yield high efficiency visible photoluminescence (PL) hold great potential for many future technological applications. We show that folic acid (FA)-conjugated to nanosize TiO2 and CeO2 particles demonstrates a dramatic increase of photoemission intensity at wavelengths between 500 and 700 nm when derivatized using aminopropyl trimethoxysilane (APTMS) as spacer-linker molecules between the metal oxide and FA. Using density-functional theory (DFT) and time-dependent DFT calculations we demonstrate that the strong increase of the PL can be explained by electronic transitions between the titania surface oxygen vacancy (OV) states and the low-energy excited states of the FA/APTMS molecule anchored onto the surface oxygen bridge sites in close proximity to the OVs. We suggest this scenario to be a universal feature for a wide class of metal oxide nanoparticles, including nanoceria, possessing a similar band gap (3 eV) and with a large surface-vacancy-related density of electronic states. We demonstrate that the molecule-nanoparticle linker can play a crucial role in tuning the electronic and optical properties of nanosystems by bringing optically active parts of the molecule and of the surface close to each other.

  18. Preparation of functionalized zeolitic frameworks

    DOE Patents [OSTI]

    Yaghi, Omar M; Furukawa, Hiroyasu; Wang, Bo

    2013-07-09T23:59:59.000Z

    The disclosure provides zeolitic frameworks for gas separation, gas storage, catalysis and sensors. More particularly the disclosure provides zeolitic frameworks (ZIFs). The ZIF of the disclosure comprises any number of transition metals or a homogenous transition metal composition.

  19. Preparation of functionalized zeolitic frameworks

    DOE Patents [OSTI]

    Yaghi, Omar M.; Hayashi, Hideki; Banerjee, Rahul; Park, Kyo Sung; Wang, Bo; Cote, Adrien P.

    2014-08-19T23:59:59.000Z

    The disclosure provides zeolitic frameworks for gas separation, gas storage, catalysis and sensors. More particularly the disclosure provides zeolitic frameworks (ZIFs). The ZIF of the disclosure comprises any number of transition metals or a homogenous transition metal composition.

  20. Preparation of functionalized zeolitic frameworks

    DOE Patents [OSTI]

    Yaghi, Omar M; Hayashi, Hideki; Banerjee, Rahul; Park, Kyo Sung; Wang, Bo; Cote, Adrien P

    2012-11-20T23:59:59.000Z

    The disclosure provides zeolitic frameworks for gas separation, gas storage, catalysis and sensors. More particularly the disclosure provides zeolitic frameworks (ZIFs). The ZIF of the disclosure comprises any number of transition metals or a homogenous transition metal composition.

  1. Specific-Heat of the Organic Metal Bis(tetrathiotetracene) Tri-Iodide from 20-K to 100-K, the Vicinity of the Metal-Nonmetal Phase-Transition

    E-Print Network [OSTI]

    CORT, B.; Naugle, Donald G.

    1981-01-01T23:59:59.000Z

    selenium ana- log, the transition-metal complex KCP, ' and tetrathiofulvalenium-thiocyanate [TTF(SCN) 0588] and its selenium analog' which are similar to the organic metal studied in this work. That the metallic state is stabilized by impurities...PHYSICAL REVIEW B VOLUME 24, NUMBER 7 1 OCTOBER 1981 Specific heat of the organic metal bis(tetrathiotetracene) tri-iodide from 20 to 100 K, the vicinity of the metal-nonmetal phase transition B. Cort' and D. G. Naugle Department of Physics...

  2. Petroporphyrins The most abundant and problematic metal compounds in crude oil exist as organic complexes of vanadium

    E-Print Network [OSTI]

    McQuade, D. Tyler

    Petroporphyrins ­The most abundant and problematic metal compounds in crude oil exist as organic of porphyrins is critical for developing petroleum upgrading processes, as well as linking crude oil to source routine analytical techniques due to the increased complexity associated with heavy crudes. Atmospheric

  3. Thermoelectric properties of lattice-matched AlInN alloy grown by metal organic chemical vapor deposition

    E-Print Network [OSTI]

    Gilchrist, James F.

    Thermoelectric properties of lattice-matched AlInN alloy grown by metal organic chemical vapor Seebeck coefficient and resistance measurement system for thermoelectric materials in the thin disk geometry Rev. Sci. Instrum. 83, 025101 (2012) High-temperature thermoelectric properties of Cu1­xInTe2

  4. Magnetic properties of a metal-organic antiferromagnet Mn,,hfipbb...py,,H2O...0.5

    E-Print Network [OSTI]

    Li, Jing

    Magnetic properties of a metal-organic antiferromagnet Mn,,hfipbb...py,,H2O...0.5 Tan Yuena and C Jersey 08854 Presented on 2 November 2005; published online 18 April 2006 Mn hfipbb py H2O 0.5 H2hfipbb=4 as on powder samples of Mn hfipbb py H2O 0.5. Antiferromagnetic ordering was observed below a transition

  5. Comprehensive study of carbon dioxide adsorption in the metalorganic frameworks M2(dobdc)

    E-Print Network [OSTI]

    Comprehensive study of carbon dioxide adsorption in the metal­organic frameworks M2(dobdc) (M ¼ Mg and Craig M. Brown*bl Analysis of the CO2 adsorption properties of a well-known series of metal and single crystal X-ray di raction experiments are used to unveil the site-speci c binding properties of CO2

  6. Radionuclides, Trace Metals, and Organic Compounds in Shells of Native Freshwater Mussels Along the Hanford Reach of the Columbia River: 6000 Years Before Present to Current Times

    SciTech Connect (OSTI)

    B. L. Tiller; T. E. Marceau

    2006-01-25T23:59:59.000Z

    This report documents concentrations of radionuclides, trace metals, and semivolatile organic compounds measured in shell samples of the western pearl shell mussel collected along the Hanford Reach of the Columbia River.

  7. Oxidation energies of transition metal oxides within the GGA+U framework Lei Wang, Thomas Maxisch, and Gerbrand Ceder*

    E-Print Network [OSTI]

    Ceder, Gerbrand

    is computed using the generalized gradient approach GGA and GGA+U methods. Two substantial contributions, combustion, metal refining, electrochemical energy generation and storage, photosynthesis, and metabolism and generalized gradient approxima- tion GGA , two standard approximations to density func- tional theory DFT

  8. Synthesis of Cationic Extended Frameworks for Anion-Based Applications

    E-Print Network [OSTI]

    Fei, Honghan

    2012-01-01T23:59:59.000Z

    frameworks based on rare earth metals are the most developedwhere M is rare earth metals. The first structurallybased on trivalent rare earth metals, including Yb 3+ , Y 3

  9. Enhanced luminance of organic light-emitting diodes with metal nanoparticle electron injection layer

    E-Print Network [OSTI]

    Liu, Deang; Fina, Michael; Ren, Li; Mao, Samuel S.

    2009-01-01T23:59:59.000Z

    electron injection and luminance characteristics. The small009-5199-x Enhanced luminance of organic light-emittinglayer. Improved current and luminance characteristics were

  10. New electrolyte systems for capillary zone electrophoresis of metal cations and non-ionic organic compounds

    SciTech Connect (OSTI)

    Shi, Y.

    1995-06-19T23:59:59.000Z

    Excellent separations of metal ions can be obtained very quickly by capillary electrophoresis provided a weak complexing reagent is incorporated into the electrolyte to alter the effective mobilities of the sample ions. Indirect photometric detection is possible by also adding a UV-sensitive ion to the electrolyte. Separations are described using phthalate, tartrate, lactate or hydroxyisobutyrate as the complexing reagent. A separation of twenty-seven metal ions was achieved in only 6 min using a lactate system. A mechanism for the separation of lanthanides is proposed for the hydroxyisobutyrate system.

  11. Pendant Functional Groups in Metal-Organic Frameworks - Effects on Crystal Structure, Stability, and Gas Sorption Properties

    E-Print Network [OSTI]

    Makal, Trevor Arnold

    2013-03-14T23:59:59.000Z

    . The DOE has set targets for the gravimetric and volumetric uptake for on- board hydrogen storage for 2010 (0.045 kg/kg) and 2015 (0.055 kg/kg).144 MOFs are an attractive solution to the problems associated with hydrogen storage due to reversibility...

  12. Synthesis and Characterization of Iso-Reticular Metal-Organic Frameworks and Their Applications for Gas Separations

    E-Print Network [OSTI]

    Yoo, Yeonshick

    2011-10-21T23:59:59.000Z

    ?-alumina substrate in a precursor solution containing EDIPA at 105 oC for 9 hrs. Inset is a magnified image. .................................................................................. 109 5-8 X-ray diffraction patterns of (a) a MOF-5.... .................................................................................... 114 xiii FIGURE Page 5-12 Permeation of various gas molecules through: (a) ?-alumina support, (b) graphite-coated ?-alumina support, and (c) activated randomly-oriented MOF-5 membrane...

  13. Single-Ion Magnetic Anisotropy and Isotropic Magnetic Couplings in the Metal-Organic Framework Fe2(dobdc)

    E-Print Network [OSTI]

    are here assessed with quantum chemical calculations performed on a finite size cluster. It is shown.16 The structure of this compound consists of high-spin FeII ions arranged in a helical pattern along columns at the intersection of three hexagonal pores. As synthesized, each FeII ion is hexacoordinate; five coordination sites

  14. High-Throughput Screening of Mg-Functionalized Metal-Organic Frameworks for Hydrogen Storage near Room Temperature

    E-Print Network [OSTI]

    Colón, Yamil J.; Fairen-Jimenez, David; Wilmer, Christopher E.; Snurr, Randall Q.

    2014-01-01T23:59:59.000Z

    The hydrogen storage capabilities of 18,383 porous crystalline structures possessing various degrees of Mg functionalization and diverse physical properties were assessed through combined grand canonical Monte Carlo (GCMC) and quantum mechanical...

  15. Hydrocarbon Separations in Metal-Organic Frameworks Zoey R. Herm, Eric D. Bloch, and Je rey R. Long*

    E-Print Network [OSTI]

    * Department of Chemistry, University of California, Berkeley, California, 94720, United States *S Supporting, gasoline, naphtha, kerosene, gas oil, and residue. Compositions among these fractions vary widely.22 The liquids and gases discussed in this review mostly fall into the light gas, gasoline, or naphtha fractions

  16. Computational Design of Metal-Organic Frameworks Based on Stable Zirconium Building Units for Storage and Delivery of Methane

    E-Print Network [OSTI]

    densification strategies such as compressed natural gas (CNG) (250 bar) or liquefied natural gas (LNG) (111 K

  17. Enhanced isosteric heat, selectivity, and uptake capacity of CO2 adsorption in a metal-organic framework by

    E-Print Network [OSTI]

    Paik Suh, Myunghyun

    on the combus- tion methods. The ue gas emitted from the post-combustion chamber has a pressure of 1 atm with 15. To apply a MOF in capturing CO2 from industrial ue gas that is emitted from a post-combustion chamber, its capture,2 and O2/N2 gas separation.3 In particular, selective and reversible capture of carbon dioxide

  18. Design of a Metal-Organic Framework with Enhanced Back Bonding for Separation of N2 and CH4

    E-Print Network [OSTI]

    with a considerably higher enthalpy of adsorption for dinitrogen than for methane, based on strong selective back methane-rich gases. This is an extraordinarily difficult separation based on physical properties alone,*,, and Laura Gagliardi*,, Department of Chemical and Biomolecular Engineering, University of California

  19. Synthesis and Characterization of Iso-Reticular Metal-Organic Frameworks and Their Applications for Gas Separations 

    E-Print Network [OSTI]

    Yoo, Yeonshick

    2011-10-21T23:59:59.000Z

    . .......................................................................................... 77 4-2 Time-evolution of MOF-5 crystal layers on nanoporous anodized aluminum oxide substrates with and without conductive coatings. ...................... 80 4-3 Time-evolution of the XRD patterns of MOF-5 thin films grown on a graphite.... .................................................................................... 114 xiii FIGURE Page 5-12 Permeation of various gas molecules through: (a) ?-alumina support, (b) graphite-coated ?-alumina support, and (c) activated randomly-oriented MOF-5 membrane...

  20. A highly stable zirconium-based metal-organic framework material with high surface area and gas storage capacities

    E-Print Network [OSTI]

    Gutov, Oleksii V.; Bury, Wojciech; Gomez-Gualdron, Diego A.; Krungleviciute, Vaiva; Fairen-Jimenez, David; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.

    2014-08-14T23:59:59.000Z

    , MOFs have attracted much interest for on-board hydrogen or methane storage in vehicles. Both methane and hydrogen are promising candidates as replacements for gasoline (petrol). However, their compact storage in molecular form, especially...

  1. Synthesis and Characterization of Films and Membranes of Metal-Organic Framework (MOF) for Gas Separation Applications 

    E-Print Network [OSTI]

    Shah, Miral Naresh 1987-

    2012-12-12T23:59:59.000Z

    for their high thermal and chemical stability. ZIF-8 has demonstrated potential to kinetically separate propane/propene in powder and membrane form. ZIF-8 membranes propane-propene separation performance is superior in comparison to polymer, mixed matrix...

  2. Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearch > TheNuclearHomeland ScienceInnovationScienceMaterials Center atimpact

  3. Improvement of charge injection efficiency in organic-inorganic hybrid solar cells by chemical modification of metal oxides with organic molecules

    SciTech Connect (OSTI)

    Kudo, Naomi; Honda, Satoshi; Shimazaki, Yuta; Ohkita, Hideo; Ito, Shinzaburo; Benten, Hiroaki [Department of Polymer Chemistry, Graduate School of Engineering, Kyoto University, Katsura, Nishikyo, Kyoto 615-8510 (Japan); International Innovation Center, Kyoto University, Katsura, Nishikyo, Kyoto 615-8520 (Japan)

    2007-04-30T23:59:59.000Z

    The effect of chemical modification of metal oxide surface with dye molecules in organic-inorganic hybrid solid solar cells was studied by using double layered cells consisting of poly(3-hexylthiophene) (P3HT) and a flat layer of dense TiO{sub 2}. The external quantum efficiency of the chemically modified cell was nearly double that expected from the photosensitizing effect of the dye molecules. The additional increase shows that the chemical modification with dye molecules can serve not only as a photosensitizer but mainly as an energy funnel and/or an electronic mediator to significantly improve the electron injection efficiency from P3HT to TiO{sub 2}.

  4. Metal inks

    DOE Patents [OSTI]

    Ginley, David S; Curtis, Calvin J; Miedaner, Alex; van Hest, Marinus Franciscus Antonius Maria; Kaydanova, Tatiana

    2014-02-04T23:59:59.000Z

    Self-reducing metal inks and systems and methods for producing and using the same are disclosed. In an exemplary embodiment, a method may comprise selecting metal-organic (MO) precursor, selecting a reducing agent, and dissolving the MO precursor and the reducing agent in an organic solvent to produce a metal ink that remains in a liquid phase at room temperature. Metal inks, including self-reducing and fire-through metal inks, are also disclosed, as are various applications of the metal inks.

  5. Design and implementation of a continuous improvement framework, focusing on material and information flow, for the manufacturing of organic photovoltaics

    E-Print Network [OSTI]

    Gogineni, Susheel Teja

    2011-01-01T23:59:59.000Z

    Konarka Technologies is an organic photo voltaic solar panel manufacturing startup and is currently in the process of ramping up their production volumes. The MIT team has worked on numerous improvement activities that ...

  6. Strong and Reversible Binding of Carbon Dioxide in a Green Metal-Organic

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearch > TheNuclearHomelandMultivariateSiteSeparationsRelevantStrategicFramework

  7. Comprehensive study of carbon dioxide adsorption in the metal-organic

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItem NotEnergy,ARMForms AboutRESEARCHHydrosilylation Catalystsframeworks M2(dobdc) (M

  8. Fabrication and characterization of combined metallic nanogratings and ITO electrodes for organic photovoltaic cells

    E-Print Network [OSTI]

    Schreiber, Frank

    photovoltaic cells D.A. Gollmer a,,1 , F. Walter a,1 , C. Lorch a , J. Novák a,b , R. Banerjee a , J. Dieterle to conventional silicon based photovoltaic cells, due to potentially lower material costs and energy consumption during the fabrication process. However, the energy conversion efficiency of organic photovoltaic cells

  9. ZnO light-emitting diode grown by plasma-assisted metal organic chemical vapor deposition

    SciTech Connect (OSTI)

    Xu, W.Z.; Ye, Z.Z.; Zeng, Y.J.; Zhu, L.P.; Zhao, B.H.; Jiang, L.; Lu, J.G.; He, H.P.; Zhang, S.B. [State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou 310027 (China); National Renewable Energy Laboratory, Golden, Colorado 80401 (United States)

    2006-04-24T23:59:59.000Z

    We report a breakthrough in fabricating ZnO homojunction light-emitting diode by metal organic chemical vapor deposition. Using NO plasma, we are able to grow p-type ZnO thin films on n-type bulk ZnO substrates. The as-grown films on glass substrates show hole concentration of 10{sup 16}-10{sup 17} cm{sup -3} and mobility of 1-10 cm{sup 2} V{sup -1} s{sup -1}. Room-temperature photoluminescence spectra reveal nitrogen-related emissions. A typical ZnO homojunction shows rectifying behavior with a turn-on voltage of about 2.3 V. Electroluminescence at room temperature has been demonstrated with band-to-band emission at I=40 mA and defect-related emissions in the blue-yellow spectrum range.

  10. [(CH3)4N][(C5H5NH)0.8((CH3)3NH)0.2]U2Si9O23F4 (USH-8): An Organically Templated Open-Framework Uranium Silicate

    E-Print Network [OSTI]

    Wang, Xiqu

    -Framework Uranium Silicate Xiqu Wang, Jin Huang, and Allan J. Jacobson* Department of Chemistry, Uni to the discovery of a number of porous structures formed from both silicate tetrahedra and transition-metal-centered polyhedra.7-15 Recently we reported a series of porous vanadosilicate compounds that are based on silicate

  11. A parallel multistate framework for atomistic non-equilibrium reaction dynamics of solutes in strongly interacting organic solvents

    E-Print Network [OSTI]

    Glowacki, David R; Harvey, Jeremy N

    2014-01-01T23:59:59.000Z

    We describe a parallel linear-scaling computational framework developed to implement arbitrarily large multi-state empirical valence bond (MS-EVB) calculations within CHARMM. Forces are obtained using the Hellman-Feynmann relationship, giving continuous gradients, and excellent energy conservation. Utilizing multi-dimensional Gaussian coupling elements fit to CCSD(T)-F12 electronic structure theory, we built a 64-state MS-EVB model designed to study the F + CD3CN -> DF + CD2CN reaction in CD3CN solvent. This approach allows us to build a reactive potential energy surface (PES) whose balanced accuracy and efficiency considerably surpass what we could achieve otherwise. We use our PES to run MD simulations, and examine a range of transient observables which follow in the wake of reaction, including transient spectra of the DF vibrational band, time dependent profiles of vibrationally excited DF in CD3CN solvent, and relaxation rates for energy flow from DF into the solvent, all of which agree well with experime...

  12. Y-12 Development Organization technical progress report: Part 3 -- Metal processing, period ending March 1, 1994

    SciTech Connect (OSTI)

    Northcutt, W.G. Jr. [comp.

    1994-05-26T23:59:59.000Z

    As part of the effort to downsize its uranium processing facilities, the Y-12 Plant has supported an investigation to identify extraction solvents that would both work efficiently in centrifugal contactors and be disposed of easily. Various organic ethers, hydroxy ethers, ether ketones, acids, amides, and diketones were studied for their ability to extract uranyl nitrate from aqueous solutions. Although many of these solvents were obtained commercially, others had to be synthesized in-house. The authors found a large range of extraction coefficients for these solvents. Because of steric hindrance or some other factor, certain ethers performed poorly. On the other hand, various mono- and diethers of tetrahydrofurfuryl alcohol exhibited excellent extraction and stripping coefficients for uranyl nitrate, justifying purchase of a pilot plant batch of one of this family of solvents. Likewise, the authors determined the extraction coefficient for one of the two amides synthesized in-house to be quite high.

  13. Cognitive decision errors and organization vulnerabilities in nuclear power plant safety management: Modeling using the TOGA meta-theory framework

    SciTech Connect (OSTI)

    Cappelli, M. [UTFISST, ENEA Casaccia, via Anguillarese 301, Rome (Italy); Gadomski, A. M. [ECONA, Centro Interuniversitario Elaborazione Cognitiva Sistemi Naturali e Artificiali, via dei Marsi 47, Rome (Italy); Sepiellis, M. [UTFISST, ENEA Casaccia, via Anguillarese 301, Rome (Italy); Wronikowska, M. W. [UTFISST, ENEA Casaccia, via Anguillarese 301, Rome (Italy); Poznan School of Social Sciences (Poland)

    2012-07-01T23:59:59.000Z

    In the field of nuclear power plant (NPP) safety modeling, the perception of the role of socio-cognitive engineering (SCE) is continuously increasing. Today, the focus is especially on the identification of human and organization decisional errors caused by operators and managers under high-risk conditions, as evident by analyzing reports on nuclear incidents occurred in the past. At present, the engineering and social safety requirements need to enlarge their domain of interest in such a way to include all possible losses generating events that could be the consequences of an abnormal state of a NPP. Socio-cognitive modeling of Integrated Nuclear Safety Management (INSM) using the TOGA meta-theory has been discussed during the ICCAP 2011 Conference. In this paper, more detailed aspects of the cognitive decision-making and its possible human errors and organizational vulnerability are presented. The formal TOGA-based network model for cognitive decision-making enables to indicate and analyze nodes and arcs in which plant operators and managers errors may appear. The TOGA's multi-level IPK (Information, Preferences, Knowledge) model of abstract intelligent agents (AIAs) is applied. In the NPP context, super-safety approach is also discussed, by taking under consideration unexpected events and managing them from a systemic perspective. As the nature of human errors depends on the specific properties of the decision-maker and the decisional context of operation, a classification of decision-making using IPK is suggested. Several types of initial situations of decision-making useful for the diagnosis of NPP operators and managers errors are considered. The developed models can be used as a basis for applications to NPP educational or engineering simulators to be used for training the NPP executive staff. (authors)

  14. Comparative evaluation of several small mammal species as monitors of heavy metals, radionuclides, and selected organic compounds in the environment

    SciTech Connect (OSTI)

    Talmage, S.S. (Tennessee Univ., Knoxville, TN (USA) Oak Ridge National Lab., TN (USA)); Walton, B.T. (Oak Ridge National Lab., TN (USA))

    1990-08-01T23:59:59.000Z

    The primary purpose of this study was to evaluate which small mammal species are the best monitors of specific environmental contaminants. The evaluation is based on the published literature and on an analysis of small mammals trapped at several sites on the Oak Ridge National Laboratory (ORNL) Reservation in Oak Ridge, Tennessee. Studies on the uptake of heavy metals, radionuclides, and organic chemicals are reviewed in Chapter II to evaluate several small mammal species for their capacity to serve as sentinels for the presence, accumulation, and effects of various contaminants. Where several species were present at a site, a comparative evaluation was made and species are ranked for their capacity to serve as monitors of specific contaminants. Food chain accumulation and food habits of the species are used to establish a relationship with suitability as a biomonitor. Tissue-specific concentration factors were noted in order to establish target tissues. Life histories, habitat, and food habits are reviewed in order to make generalizations concerning the ability of similar taxa to serve as biomonitor. Finally, the usefulness of several small mammal species as monitors of three contaminants -- benzo(a)pyrene, mercury, and strontium-90 -- present on or near the ORNL facilities was investigated. 133 refs., 5 figs., 20 tabs.

  15. SU-E-I-02: A Framework to Perform Batch Simulations of Computational Voxel Phantoms to Study Organ Doses in Computed Tomography Using a Commercial Monte Carlo Software Package

    SciTech Connect (OSTI)

    Bujila, R; Nowik, P; Poludniowski, G [Karolinska University Hospital, Stockholm, Stockholm (Sweden)

    2014-06-01T23:59:59.000Z

    Purpose: ImpactMC (CT Imaging, Erlangen, Germany) is a Monte Carlo (MC) software package that offers a GPU enabled, user definable and validated method for 3D dose distribution calculations for radiography and Computed Tomography (CT). ImpactMC, in and of itself, offers limited capabilities to perform batch simulations. The aim of this work was to develop a framework for the batch simulation of absorbed organ dose distributions from CT scans of computational voxel phantoms. Methods: The ICRP 110 adult Reference Male and Reference Female computational voxel phantoms were formatted into compatible input volumes for MC simulations. A Matlab (The MathWorks Inc., Natick, MA) script was written to loop through a user defined set of simulation parameters and 1) generate input files required for the simulation, 2) start the MC simulation, 3) segment the absorbed dose for organs in the simulated dose volume and 4) transfer the organ doses to a database. A demonstration of the framework is made where the glandular breast dose to the adult Reference Female phantom, for a typical Chest CT examination, is investigated. Results: A batch of 48 contiguous simulations was performed with variations in the total collimation and spiral pitch. The demonstration of the framework showed that the glandular dose to the right and left breast will vary depending on the start angle of rotation, total collimation and spiral pitch. Conclusion: The developed framework provides a robust and efficient approach to performing a large number of user defined MC simulations with computational voxel phantoms in CT (minimal user interaction). The resulting organ doses from each simulation can be accessed through a database which greatly increases the ease of analyzing the resulting organ doses. The framework developed in this work provides a valuable resource when investigating different dose optimization strategies in CT.

  16. Journal of Light Emitting Diodes Vol 2 N0 1, April 2010 1 Abstract--In metal organic vapor phase epitaxy we developed

    E-Print Network [OSTI]

    Wetzel, Christian M.

    Journal of Light Emitting Diodes Vol 2 N0 1, April 2010 1 Abstract-- In metal organic vapor phase epitaxy we developed GaInN/GaN quantum well material suitable for 500 ­ 580 nm light emitting diodes at longer wavelengths. Index Terms-- a-plane GaN, GaInN, Green light emitting diode, m-plane GaN I

  17. SEME FRAMEWORK

    Energy Science and Technology Software Center (OSTI)

    003284MLTPL00 Sequentially Executed Model Evaluation Framework  https://software.sandia.gov/svn/teva/canary 

  18. Self-Assembly and Selective Guest Binding of Three-Dimensional Open-Framework Solids from a Macrocyclic Complex as a Trifunctional Metal

    E-Print Network [OSTI]

    Paik Suh, Myunghyun

    -dimensional supramolecular open- frameworks of [Ni(C20H32N8)][C6H9- (COOH)2(COO)]2 ´ 4H2O (2) and [Ni- (C20H32N8)]3[C6H9(COO: host ± guest chemistry ´ hydrogen bonds ´ macrocyclic ligands ´ stacking interactions ´ supramolecular and become condensed materials in the solid state.[19] Furthermore, the frameworks of the solids containing

  19. Low trap states in in situ SiN{sub x}/AlN/GaN metal-insulator-semiconductor structures grown by metal-organic chemical vapor deposition

    SciTech Connect (OSTI)

    Lu, Xing; Ma, Jun; Jiang, Huaxing; Liu, Chao; Lau, Kei May, E-mail: eekmlau@ust.hk [Department of Electronic and Computer Engineering, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong)

    2014-09-08T23:59:59.000Z

    We report the use of SiN{sub x} grown in situ by metal-organic chemical vapor deposition as the gate dielectric for AlN/GaN metal-insulator-semiconductor (MIS) structures. Two kinds of trap states with different time constants were identified and characterized. In particular, the SiN{sub x}/AlN interface exhibits remarkably low trap state densities in the range of 10{sup 11}–10{sup 12?}cm{sup ?2}eV{sup ?1}. Transmission electron microscopy and X-ray photoelectron spectroscopy analyses revealed that the in situ SiN{sub x} layer can provide excellent passivation without causing chemical degradation to the AlN surface. These results imply the great potential of in situ SiN{sub x} as an effective gate dielectric for AlN/GaN MIS devices.

  20. Plasticity of Ductile Metallic Glasses: A Self-Organized Critical State B. A. Sun, H. B. Yu, W. Jiao, H. Y. Bai, D. Q. Zhao, and W. H. Wang*

    E-Print Network [OSTI]

    Wang, Wei Hua

    Plasticity of Ductile Metallic Glasses: A Self-Organized Critical State B. A. Sun, H. B. Yu, W the dynamic behavior of serrated flow and the plasticity in metallic glasses (MGs) and show that the plastic reproduce the experimental observations. Our studies have implications for understanding the precise plastic

  1. Elemental diffusion during the droplet epitaxy growth of In(Ga)As/GaAs(001) quantum dots by metal-organic chemical vapor deposition

    SciTech Connect (OSTI)

    Chen, Z. B.; Chen, B.; Wang, Y. B.; Liao, X. Z., E-mail: xiaozhou.liao@sydney.edu.au [School of Aerospace, Mechanical and Mechatronic Engineering, The University of Sydney, Sydney, NSW 2006 (Australia); Lei, W. [School of Electrical, Electronic and Computer Engineering, The University of Western Australia, Perth, WA 6009 (Australia); Tan, H. H.; Jagadish, C. [Department of Electronic Materials Engineering, Research School of Physics and Engineering, The Australian National University, Canberra, ACT 0200 (Australia); Zou, J. [Materials Engineering and Centre for Microscopy and Microanalysis, The University of Queensland, Brisbane, QLD 4072 (Australia); Ringer, S. P. [School of Aerospace, Mechanical and Mechatronic Engineering, The University of Sydney, Sydney, NSW 2006 (Australia); Australian Centre for Microscopy and Microanalysis, The University of Sydney, Sydney, NSW 2006 (Australia)

    2014-01-13T23:59:59.000Z

    Droplet epitaxy is an important method to produce epitaxial semiconductor quantum dots (QDs). Droplet epitaxy of III-V QDs comprises group III elemental droplet deposition and the droplet crystallization through the introduction of group V elements. Here, we report that, in the droplet epitaxy of InAs/GaAs(001) QDs using metal-organic chemical vapor deposition, significant elemental diffusion from the substrate to In droplets occurs, resulting in the formation of In(Ga)As crystals, before As flux is provided. The supply of As flux suppresses the further elemental diffusion from the substrate and promotes surface migration, leading to large island formation with a low island density.

  2. Influence of vicinal sapphire substrate on the properties of N-polar GaN films grown by metal-organic chemical vapor deposition

    SciTech Connect (OSTI)

    Lin, Zhiyu; Zhang, Jincheng, E-mail: jchzhang@xidian.edu.cn; Xu, Shengrui; Chen, Zhibin; Yang, Shuangyong; Tian, Kun; Hao, Yue [Key Lab of Wide Band-Gap Semiconductor Technology, School of Microelectronics, Xidian University, Xi'an, Shaanxi 710071 (China); Su, Xujun [Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences, Suzhou, Jiangsu 215123 (China); Shi, Xuefang [School of Advanced Materials and Nanotechnology, Xidian University, Xi'an, Shaanxi 710071 (China)

    2014-08-25T23:59:59.000Z

    The influence of vicinal sapphire substrates on the growth of N-polar GaN films by metal-organic chemical vapor deposition is investigated. Smooth GaN films without hexagonal surface feature are obtained on vicinal substrate. Transmission electron microscope results reveal that basal-plane stacking faults are formed in GaN on vicinal substrate, leading to a reduction in threading dislocation density. Furthermore, it has been found that there is a weaker yellow luminescence in GaN on vicinal substrate than that on (0001) substrate, which might be explained by the different trends of the carbon impurity incorporation.

  3. Synthesis and characterization of Co3(O2CCH2CH2PO3)26H2O, a metal carboxylatephosphonate with a framework structure

    E-Print Network [OSTI]

    polymers with two- and three-dimen- sional structures are already known for polynitrilies and polyamines for many of them, especially those with long bridging ligands, is the interpenetration of the frameworks determination revealed a three-dimensional network of linear trimers of edge- sharing CoO6-octahedra

  4. Electronic Excitations and Metal-Insulator Transition inPoly(3-hexylthiophene) Organic Field-Effect Transistors

    SciTech Connect (OSTI)

    Sai, N.; Li, Z.Q.; Martin, M.C.; Basov, D.N.; Di Ventra, M.

    2006-11-07T23:59:59.000Z

    We carry out a comprehensive theoretical and experimentalstudy of charge injection in poly(3-hexylthiophene) (P3HT) to determinethe most likely scenario for metal-insulator transition in this system.Wecalculate the optical-absorption frequencies corresponding to a polaronand a bipolaron lattice in P3HT. We also analyze the electronicexcitations for three possible scenarios under which a first- or asecond-order metal-insulator transition can occur in doped P3HT. Thesetheoretical scenarios are compared with data from infrared absorptionspectroscopy on P3HT thin-film field-effect transistors (FETs). Ourmeasurements and theoretical predictions suggest that charge-inducedlocalized states in P3HT FETs are bipolarons and that the highest dopinglevel achieved in our experiments approaches that required for afirst-order metal-insulator transition.

  5. Enhancement of optical absorption in thin-film organic solar cells through the excitation of plasmonic modes in metallic gratings

    E-Print Network [OSTI]

    Veronis, Georgios

    .1063/1.3377791 Thin-film organic solar cells OSCs are a promising candidate for low-cost energy conversion.1­6 HoweverEnhancement of optical absorption in thin-film organic solar cells through the excitation up to 50% for such solar cell structures. © 2010 American Institute of Physics. doi:10

  6. Effects of metallic absorption and the corrugated layer on the optical extraction efficiency of organic light-emitting diodes

    E-Print Network [OSTI]

    Lee, Baek-Woon

    2011-01-01T23:59:59.000Z

    The absorption of a metallic cathode in OLEDs is analyzed by using FDTD calculation. As the light propagates parallel to the layer, the intensity of Ez polarization decreases rapidly. The intensity at 2.0 um from the dipole is less than a quarter of that at 0.5 um. The strong absorption by a cathode can be a critical factor when considering the increase of optical extraction by means of bending the optical layers. The calculation indicates that the corrugation of layers helps the guided light escape the guiding layer, but also increases the absorption into a metallic cathode. The final optical output power of the corrugated OLED can be smaller than that of the flat OLED. On the contrary, the corrugated structure with a non-absorptive cathode increases the optical extraction by nearly two times.

  7. Hydrogen storage and carbon dioxide capture in an iron-based sodalite-type metalorganic framework (Fe-BTT) discovered via high-throughput methods

    E-Print Network [OSTI]

    Hydrogen storage and carbon dioxide capture in an iron-based sodalite-type metal­organic framework/or volumetric capacities that approach the U.S. Department of Energy targets2 for mobile hydrogen storage storage capacity of 1.1 wt% and 8.4 g LÀ1 at 100 bar and 298 K. Powder neutron diffraction experiments

  8. Improving the Power Conversion Efficiency of Ultrathin Organic Solar Cells by Incorporating Plasmonic Effects of Spheroidal Metallic Nanoparticles

    E-Print Network [OSTI]

    Park, Namkyoo

    Improving the Power Conversion Efficiency of Ultrathin Organic Solar Cells by Incorporating be exploited to achieve efficient harvesting of solar energy. Notably, the incorporation of plasmonic effects can allow the light harvesting capability of a solar cell to be maintained even as the thickness

  9. Metallic artifact mitigation and organ-constrained tissue assignment for Monte Carlo calculations of permanent implant lung brachytherapy

    SciTech Connect (OSTI)

    Sutherland, J. G. H.; Miksys, N.; Thomson, R. M., E-mail: rthomson@physics.carleton.ca [Carleton Laboratory for Radiotherapy Physics, Department of Physics, Carleton University, Ottawa, Ontario K1S 5B6 (Canada); Furutani, K. M. [Department of Radiation Oncology, Mayo Clinic College of Medicine, Rochester, Minnesota 55905 (United States)] [Department of Radiation Oncology, Mayo Clinic College of Medicine, Rochester, Minnesota 55905 (United States)

    2014-01-15T23:59:59.000Z

    Purpose: To investigate methods of generating accurate patient-specific computational phantoms for the Monte Carlo calculation of lung brachytherapy patient dose distributions. Methods: Four metallic artifact mitigation methods are applied to six lung brachytherapy patient computed tomography (CT) images: simple threshold replacement (STR) identifies high CT values in the vicinity of the seeds and replaces them with estimated true values; fan beam virtual sinogram replaces artifact-affected values in a virtual sinogram and performs a filtered back-projection to generate a corrected image; 3D median filter replaces voxel values that differ from the median value in a region of interest surrounding the voxel and then applies a second filter to reduce noise; and a combination of fan beam virtual sinogram and STR. Computational phantoms are generated from artifact-corrected and uncorrected images using several tissue assignment schemes: both lung-contour constrained and unconstrained global schemes are considered. Voxel mass densities are assigned based on voxel CT number or using the nominal tissue mass densities. Dose distributions are calculated using the EGSnrc user-code BrachyDose for{sup 125}I, {sup 103}Pd, and {sup 131}Cs seeds and are compared directly as well as through dose volume histograms and dose metrics for target volumes surrounding surgical sutures. Results: Metallic artifact mitigation techniques vary in ability to reduce artifacts while preserving tissue detail. Notably, images corrected with the fan beam virtual sinogram have reduced artifacts but residual artifacts near sources remain requiring additional use of STR; the 3D median filter removes artifacts but simultaneously removes detail in lung and bone. Doses vary considerably between computational phantoms with the largest differences arising from artifact-affected voxels assigned to bone in the vicinity of the seeds. Consequently, when metallic artifact reduction and constrained tissue assignment within lung contours are employed in generated phantoms, this erroneous assignment is reduced, generally resulting in higher doses. Lung-constrained tissue assignment also results in increased doses in regions of interest due to a reduction in the erroneous assignment of adipose to voxels within lung contours. Differences in dose metrics calculated for different computational phantoms are sensitive to radionuclide photon spectra with the largest differences for{sup 103}Pd seeds and smallest but still considerable differences for {sup 131}Cs seeds. Conclusions: Despite producing differences in CT images, dose metrics calculated using the STR, fan beam + STR, and 3D median filter techniques produce similar dose metrics. Results suggest that the accuracy of dose distributions for permanent implant lung brachytherapy is improved by applying lung-constrained tissue assignment schemes to metallic artifact corrected images.

  10. Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal-Organic Framework mmen-Mg2(dobpdc)

    E-Print Network [OSTI]

    forestall the most severe consequences of global warming. For limiting future CO2 emissions from large absorbent for many applications. However, if MEA were to be utilized for CCS, electricity prices

  11. Mixed-Ligand MetalOrganic Frameworks with Large Pores: Gas Sorption Properties and Single-Crystal-to-Single-Crystal Transformation on Guest

    E-Print Network [OSTI]

    Paik Suh, Myunghyun

    temperature storage data are far less than 1% (0.62 wt%).[24] The highest CO2 uptake data reported so far% (total) at 77 K and 70 bar) with high isosteric heat (7.74 kJmolÀ1 ), and high CO2 adsorption capacity of CO2 from a gaseous mixture is important because CO2 gas is a major source of greenhouse gas emissions

  12. Some effects of heavy metals and polychlorinated biphenyls on the estuarine organisms Brachidontes recurvus (Mollusca) and Penaeus setiferus (Crustacea 

    E-Print Network [OSTI]

    Green, Felton Allen

    1975-01-01T23:59:59.000Z

    Biphenyls on the Estuarine Organisms Brachidontes recurvus (Mollusca) and Penaeus setiferus (Crustacea). (May 1975) Felton Allen Green, Jr. , B. S. , Texas A&M University Chairman of Advisory Committee: Dr. Jack N. Anderson The results of toxicity... order of magnitude greater than that deter- mined for the postlarval shrimp. In addition, the size of the shrimp, within the range tested (7-35 mm), were not found to significantly alter the toxicity values of mercury to this species. It was also...

  13. Evaluation of the Nephrotoxicity of Complex Mixtures Containing Organics and Metals: Advantages and Disadvantages of the Use of Real-world Complex Mixtures

    E-Print Network [OSTI]

    Jane Ellen Simmons; Raymond S. H. Yang; Ezra Berman

    As part of a multidisciplinary health effects study, the nephrotoxicity of complex industrial waste mixtures was assessed. Adult, male Fischer 344 rats were gavaged with samples of complex industrial waste and nephrotoxicity evaluated 24 hr later. Of the 10 tested samples, 4 produced increased absolute or relative kidney weight, or both, coupled with a statistically significant alteration in at least one of the measured serum parameters (urea nitrogen (BUN), creatinine (CREAT), and BUN/CREAT ratio). Although the waste samples had been analyzed for a number of organic chemicals and 7 of the 10 samples were analyzed also for 12 elemental metals and metalloids, their nephrotoxicity was not readily predicted from the partial chemical characterization data. Because the chemical form or speciation of the metals was unknown, it was not possible to estimate their contribution to the observed biological response. Various experimental approaches, including use of real-world complex mixtures, chemically defined synthetic mixtures, and simple mixtures, will be necessary to adequately determine the potential human health risk from exposure to complex

  14. Metals 2000

    SciTech Connect (OSTI)

    Allison, S.W.; Rogers, L.C.; Slaughter, G. [Oak Ridge National Lab., TN (United States); Boensch, F.D. [6025 Oak Hill Lane, Centerville, OH (United States); Claus, R.O.; de Vries, M. [Virginia Polytechnic Inst. and State Univ., Blacksburg, VA (United States)

    1993-05-01T23:59:59.000Z

    This strategic planning exercise identified and characterized new and emerging advanced metallic technologies in the context of the drastic changes in global politics and decreasing fiscal resources. In consideration of a hierarchy of technology thrusts stated by various Department of Defense (DOD) spokesmen, and the need to find new and creative ways to acquire and organize programs within an evolving Wright Laboratory, five major candidate programs identified are: C-17 Flap, Transport Fuselage, Mach 5 Aircraft, 4.Fighter Structures, and 5. Missile Structures. These results were formed by extensive discussion with selected major contractors and other experts, and a survey of advanced metallic structure materials. Candidate structural applications with detailed metal structure descriptions bracket a wide variety of uses which warrant consideration for the suggested programs. An analysis on implementing smart skins and structures concepts is given from a metal structures perspective.

  15. Controlled Metal Photodeposition - Energy Innovation Portal

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power Administration would likeConstitution And BylawsMetal-Organic Frameworks |

  16. Water-soluble organometallic compounds. 3. Kinetic investigations of dissociative phosphine substitution processes involving water-soluble group 6 metal derivatives in miscible aqueous/organic media

    SciTech Connect (OSTI)

    Darensbourg, D.J.; Bischoff, C.J. (Texas A M Univ., College Station (United States))

    1993-01-06T23:59:59.000Z

    Mechanistic aspects of ligand substitution reactions of group 6 metal carbonyl derivatives containing the trisulfonated phosphine P(m-C[sub 6]H[sub 4]SO[sub 3]Na)[sub 3] (hereafter referred to as TPPTS) in pure water and water/THF media have been investigated by examination of the reactions of these derivatives with carbon monoxide as an incoming ligand. The reactions, which were carried out under 500 psi of CO in the temperature range 110-160[degrees]C, were monitored in situ by infrared spectroscopy employing a cylindrical internal reflectance reactor. Kinetic measurements show the reactions are first-order in metal complex concentration and independent of CO pressure at high CO pressures, and the rates are retarded by added TPPTS. The activation parameters for TPPTS dissociation from M(CO)[sub 5]TPPTS derivatives (M = Mo, W), e.g., in 1:1 THF/H[sub 2]O, [Delta]H[double dagger] = 28.8 [plus minus] 1.4 kcal/mol and [Delta]S[double dagger] = [minus]4.2 [plus minus] 3.5 eu and [Delta]H[double dagger] = 31.8 [plus minus] 1.5 kcal/mol and [Delta]S[double dagger] = [minus]0.73 [plus minus] 3.6 eu, respectively were shown to be quite similar to those determined for the analogous processes involving the nonsulfonated PPh[sub 3] ligand in the same solvent systems. In addition only small solvent effects were noted in going from aqueous to organic solvents for these dissociative processes. For the cis-Mo(CO)[sub 4][TPPTS][sub 2] derivative, in which the sodium ions are encapsulated by a cryptand, kryptofix-221, a steric acceleration of TPPTS dissociation is noted relative to its PPh[sub 3] analog. 27 refs., 5 figs., 6 tabs.

  17. Hydrogen atom trapping in a self-organized one-dimensional dimer

    SciTech Connect (OSTI)

    Takami, Tsuyoshi, E-mail: takami@phys.sci.osaka-u.ac.jp [Department of Physics, Graduate School of Science, Osaka University, 1-1 Machikaneyama-cho, Toyonaka, Osaka 560-0043 (Japan); Kawamura, Kazushi [Analytical Measurement Room, Graduate School of Science, Osaka University, 1-1 Machikaneyama-cho, Toyonaka, Osaka 560-0043 (Japan)

    2014-09-01T23:59:59.000Z

    Metal–organic frameworks (MOFs) have attracted widespread attention owing to their unusual structure and properties produced by their nanospaces. However, many MOFs possess the similar three-dimensional frameworks, limiting their structural variety and operating capacity for hydrogen storage under ambient conditions. Here we report the synthesis and structural characterization of a single-crystal one-dimensional dimer whose structure, operating capacity, and physical mechanism contrast with those of existing MOFs. The hydrogen storage capacity of 2.6 wt.% is comparable to the highest capacity achieved by existing MOFs at room temperature. This exceptional storage capacity is realized by self-organization during crystal growth using a weak base.

  18. As-grown deep-level defects in n-GaN grown by metal-organic chemical vapor deposition on freestanding GaN

    SciTech Connect (OSTI)

    Chen Shang; Ishikawa, Kenji; Hori, Masaru [Nagoya University, Chikusa, Nagoya 464-8603 (Japan); Honda, Unhi; Shibata, Tatsunari; Matsumura, Toshiya; Tokuda, Yutaka [Aichi Institute of Technology, Yakusa, Toyota 470-0392 (Japan); Ueda, Hiroyuki; Uesugi, Tsutomu; Kachi, Tetsu [Toyota Central R and D Laboratories, Inc., Yokomichi, Nagakute 480-1192 (Japan)

    2012-09-01T23:59:59.000Z

    Traps of energy levels E{sub c}-0.26 and E{sub c}-0.61 eV have been identified as as-grown traps in n-GaN grown by metal-organic chemical vapor deposition by using deep level transient spectroscopy of the Schottky contacts fabricated by resistive evaporation. The additional traps of E{sub c}-0.13 and E{sub c}-0.65 eV have been observed in samples whose contacts are deposited by electron-beam evaporation. An increase in concentration of the E{sub c}-0.13 and E{sub c}-0.65 eV traps when approaching the interface between the contact and the GaN film supports our argument that these traps are induced by electron-beam irradiation. Conversely, the depth profiles of as-grown traps show different profiles between several samples with increased or uniform distribution in the near surface below 50 nm. Similar profiles are observed in GaN grown on a sapphire substrate. We conclude that the growth process causes these large concentrations of as-grown traps in the near-surface region. It is speculated that the finishing step in the growth process should be an essential issue in the investigation of the surface state of GaN.

  19. Nanoporus Silicate Frameworks Nanoporous Copper Silicates with One-Dimen-

    E-Print Network [OSTI]

    Wang, Xiqu

    Nanoporus Silicate Frameworks Nanoporous Copper Silicates with One-Dimen- sional 12-Ring Channel, and their potential use as components in advanced nanocomposites.[1­4] Nanoporous transition-metal silicates for the synthesis of transition-metal-silicate open-framework and microporous compounds that uses a common building

  20. The geography of strategy : an exploration of alternative frameworks for transportation infrastructure strategy development

    E-Print Network [OSTI]

    Dunn, Travis P

    2010-01-01T23:59:59.000Z

    This thesis introduces the notion of a strategy development framework for transportation infrastructure systems. A strategy development framework has several dimensions: the organizations that own.infrastructure, the ...

  1. CCPPolicyBriefing Organization

    E-Print Network [OSTI]

    Feigon, Brooke

    . METHODOLOGY · The author incorporates the economic theory of organizations into the framework of public law to establish the theory of cartel organization, and calls for further studies to disclose the sophisticatedCCPPolicyBriefing September 2008 Cartel Organization and Antitrust Enforcement W: www

  2. Rfuzzy framework

    E-Print Network [OSTI]

    Ceruelo, Victor Pablos; Strass, Hannes

    2009-01-01T23:59:59.000Z

    Fuzzy reasoning is a very productive research field that during the last years has provided a number of theoretical approaches and practical implementation prototypes. Nevertheless, the classical implementations, like Fril, are not adapted to the latest formal approaches, like multi-adjoint logic semantics. Some promising implementations, like Fuzzy Prolog, are so general that the regular user/programmer does not feel comfortable because either representation of fuzzy concepts is complex or the results difficult to interpret. In this paper we present a modern framework, Rfuzzy, that is modelling multi-adjoint logic. It provides some extensions as default values (to represent missing information, even partial default values) and typed variables. Rfuzzy represents the truth value of predicates through facts, rules and functions. Rfuzzy answers queries with direct results (instead of constraints) and it is easy to use for any person that wants to represent a problem using fuzzy reasoning in a simple way (by usin...

  3. Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework

    SciTech Connect (OSTI)

    Robinson, Jerome R.; Gordon, Zachary; Booth, Corwin H.; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.

    2014-06-24T23:59:59.000Z

    Cerium compounds have played vital roles in organic, inorganic, and materials chemistry due to their reversible redox chemistry between trivalent and tetravalent oxidation states. However, attempts to rationally access molecular cerium complexes in both oxidation states have been frustrated by unpredictable reactivity in cerium(III) oxidation chemistry. Such oxidation reactions are limited by steric saturation at the metal ion, which can result in high energy activation barriers for electron transfer. An alternative approach has been realized using a rare earth/alkali metal/1,1'-BINOLate (REMB) heterobimetallic framework, which uses redox-inactive metals within the secondary coordination sphere to control ligand reorganization. The rational syntheses of functionalized cerium(IV) products and a mechanistic examination of the role of ligand reorganization in cerium(III) oxidation are presented.

  4. A Scalable Framework for Cyber Attack Discovery and Situational...

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

    Scalable Framework for Cyber Attack Discovery and Situational Understanding (SITU) May 15, 2013 Problem Statement: Cyber attacks cost commercial and governmental organizations vast...

  5. Preparation and Exceptional Lithium Anodic Performance of Porous Carbon-Coated ZnO Quantum Dots Derived from a Metal-Organic

    E-Print Network [OSTI]

    Park, Byungwoo

    batteries. Lithium ion batteries (LIBs), a fast-developing technology area in electric energy storage be used in LIBs. As an example, metal oxides can potentially be substituted for graphite (370 mA h g-1

  6. Stabilization of Electrocatalytic Metal Nanoparticles at Metal...

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

    Electrocatalytic Metal Nanoparticles at Metal-Metal Oxide-Graphene Triple Junction Points. Stabilization of Electrocatalytic Metal Nanoparticles at Metal-Metal Oxide-Graphene...

  7. Enterprise Risk Management Framework

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

    Framework The Enterprise Risk Management (ERM) framework includes four steps: identify the risks, determine the probability and impact of each one, identify controls that are...

  8. Sustainability Framework 1 Queen's University

    E-Print Network [OSTI]

    Abolmaesumi, Purang

    Sustainability Framework 1 Queen's University Sustainability Strategic Framework #12;Sustainability Framework 2 Contents Introduction .................................................................................................................................................. 2 Queen's Sustainability Mission

  9. Patterning Organic Electronics Based on Nanoimprint Lithography

    E-Print Network [OSTI]

    Lo, Yi-Chen

    2014-04-25T23:59:59.000Z

    with organic semiconductors. This technique was then used to fabricate passive-matrix organic light-emitting diode (PMOLED) arrays for flat-panel display applications. Fabrication of a self-aligned bottom gate electrode for organic metal semiconductor field...

  10. Heavy metal contamination in highway soils. Comparison of Corpus Christi, Texas and Cincinnati, Ohio shows organic matter is key to mobility

    E-Print Network [OSTI]

    Maynard, J. Barry

    Heavy metal contamination in highway soils. Comparison of Corpus Christi, Texas and Cincinnati and Cincinnati, Ohio was measured to as- sess the degree of contamination such soils contain and the likelihood that this contamination can be remobilized. High values of Ba, Cu, Pb, and Zn can be attributed to anthropogenic effects

  11. Framework for Measuring Sustainable

    E-Print Network [OSTI]

    Levinson, David M.

    Knight Foundation will use this sustainability framework for internal organizational purposes with the possibility

  12. Organizational images : towards a model of organizations

    E-Print Network [OSTI]

    Krishnan, Neel

    2012-01-01T23:59:59.000Z

    This study develops a general theoretical framework for the analysis of organizational behavior by focusing on the notion that organizations develop unique information-processing frameworks, which it labels "organizational ...

  13. Metal aminoboranes

    DOE Patents [OSTI]

    Burrell, Anthony K.; Davis, Benjamin J.; Thorn, David L.; Gordon, John C.; Baker, R. Thomas; Semelsberger, Troy Allen; Tumas, William; Diyabalanage, Himashinie Vichalya; Shrestha, Roshan P.

    2010-05-11T23:59:59.000Z

    Metal aminoboranes of the formula M(NH2BH3)n have been synthesized. Metal aminoboranes are hydrogen storage materials. Metal aminoboranes are also precursors for synthesizing other metal aminoboranes. Metal aminoboranes can be dehydrogenated to form hydrogen and a reaction product. The reaction product can react with hydrogen to form a hydrogen storage material. Metal aminoboranes can be included in a kit.

  14. Electronic Relaxation Dynamics in Coupled Metal Nanoparticles

    E-Print Network [OSTI]

    Scherer, Norbert F.

    of hot electrons for photoelectrochemical processes, including solar energy conversion or organic wasteElectronic Relaxation Dynamics in Coupled Metal Nanoparticles Mark J. Feldstein, Christine D

  15. Ge-related faceting and segregation during the growth of metastable (GaAs){sub 1{minus}x}(Ge{sub 2}){sub x} alloy layers by metal{endash}organic vapor-phase epitaxy

    SciTech Connect (OSTI)

    Norman, A.G.; Olson, J.M.; Geisz, J.F.; Moutinho, H.R.; Mason, A.; Al-Jassim, M.M. [National Renewable Energy Laboratory, 1617 Cole Boulevard, Golden, Colorado 80401 (United States)] [National Renewable Energy Laboratory, 1617 Cole Boulevard, Golden, Colorado 80401 (United States); Vernon, S.M. [Spire Corporation, One Patriots Park, Bedford, Massachusetts 01730 (United States)] [Spire Corporation, One Patriots Park, Bedford, Massachusetts 01730 (United States)

    1999-03-01T23:59:59.000Z

    (GaAs){sub 1{minus}x}(Ge{sub 2}){sub x} alloy layers, 0{lt}x{lt}0.22, have been grown by metal{endash}organic vapor-phase epitaxy on vicinal (001) GaAs substrates. Transmission electron microscopy revealed pronounced phase separation in these layers, resulting in regions of GaAs-rich zinc-blende and Ge-rich diamond cubic material that appears to lead to substantial band-gap narrowing. For x=0.1 layers, the phase-separated microstructure consisted of intersecting sheets of Ge-rich material on {l_brace}115{r_brace}B planes surrounding cells of GaAs-rich material, with little evidence of antiphase boundaries. Atomic force microscopy revealed {l_brace}115{r_brace}B surface faceting associated with the phase separation. {copyright} {ital 1999 American Institute of Physics.}

  16. Sandia National Laboratories: organic field effect transistor

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

    organic field effect transistor ECIS and Compass Metals: Platinum Nanostructures for Enhanced Catalysis On March 29, 2013, in Advanced Materials Laboratory, Capabilities, Energy,...

  17. Theories of phosphorescence in organo-transition metal complexes - from relativistic effects to simple models and design principles for organic light-emitting diodes

    E-Print Network [OSTI]

    Powell, B J

    2015-01-01T23:59:59.000Z

    We review theories of phosphorescence in cyclometalated complexes. We focus primarily on pseudooctahedrally coordinated $t_{2g}^6$ metals (e.g., [Os(II)(bpy)$_3$]$^{2+}$, Ir(III)(ppy)$_3$ and Ir(III)(ptz)$_3$) as, for reasons that are explored in detail, these show particularly strong phosphorescence. We discuss both first principles approaches and semi-empirical models, e.g., ligand field theory. We show that together these provide a clear understanding of the photophysics and in particular the lowest energy triplet excitation, T$_1$. In order to build a good model relativistic effects need to be included. The role of spin-orbit coupling is well-known, but scalar relativistic effects are also large - and are therefore also introduced and discussed. No expertise in special relativity or relativistic quantum mechanics is assumed and a pedagogical introduction to these subjects is given. It is shown that, once both scalar relativistic effects and spin-orbit coupling are included, time dependent density function...

  18. Integrated Compliance Framework for Data Processing Applications

    E-Print Network [OSTI]

    Vil, Jé an

    2009-12-18T23:59:59.000Z

    Framework for Data Processing Applications? that leverages industry best practices like the Control Objectives for Information and related Technology (COBIT), the Information Technology Infrastructure Library (ITIL), the International Organization.... Information Technology Infrastructure Library (ITIL) ITIL provides a systematic approach to the management of information technology service provision. It is the only consistent and comprehensive documentation of best practice for information technology...

  19. IBRD Operational Decision Framework

    SciTech Connect (OSTI)

    Greenwalt, R; Hibbard, W; Raber, E; Carlsen, T; Folks, K; MacQueen, D; Mancieri, S; Bunt, T; Richards, J; Hirabayashi-Dethier, J

    2010-11-12T23:59:59.000Z

    The IBRD Operational Decision Framework in this document is an expansion of an emerging general risk management framework under development by an interagency working group. It provides the level of detail necessary to develop a general Consequence Management Guidance Document for biological contamination remediation and restoration. It is the intent of this document to support both wide area and individual site remediation and restoration activities. This product was initiated as a portion of the IBRD Task 1 Systems Analysis to aid in identification of wide area remediation and restoration shortcomings and gaps. The draft interagency general risk management framework was used as the basis for the analysis. The initial Task 1 analysis document expanded the draft interagency framework to a higher level of resolution, building on both the logic structure and the accompanying text explanations. It was then employed in a qualitative manner to identify responsible agencies, data requirements, tool requirements, and current capabilities for each decision and task. This resulted in identifying shortcomings and gaps needing resolution. Several meetings of a joint LLNL/SNL working group reviewed and approved the initial content of this analysis. At the conclusion of Task 1, work continued on the expanded framework to generate this Operational Decision Framework which is consistent with the existing interagency general risk management framework. A large LLNL task group met repeatedly over a three-month period to develop the expanded framework, coordinate the framework with the biological remediation checklist, and synchronize the logic with the Consequence Management Plan table of contents. The expanded framework was briefed at a large table top exercise reviewing the interagency risk management framework. This exercise had representation from major US metropolitan areas as well as national agencies. This product received positive comments from the participants. Upon completion of the Operational Decision Framework, another joint LLNL/SNL working group conducted a day-long review. Identified modifications were made to the document, resulting in the included product.

  20. Silicone metalization

    DOE Patents [OSTI]

    Maghribi, Mariam N. (Livermore, CA); Krulevitch, Peter (Pleasanton, CA); Hamilton, Julie (Tracy, CA)

    2008-12-09T23:59:59.000Z

    A system for providing metal features on silicone comprising providing a silicone layer on a matrix and providing a metal layer on the silicone layer. An electronic apparatus can be produced by the system. The electronic apparatus comprises a silicone body and metal features on the silicone body that provide an electronic device.

  1. Semitransparent Organic Photovoltaic Cells with Laminated Top Electrode

    E-Print Network [OSTI]

    Cui, Yi

    Semitransparent Organic Photovoltaic Cells with Laminated Top Electrode Jung-Yong Lee, Steve T demonstrate semitransparent small molecular weight organic photovoltaic cells using a laminated silver metal cathode due to differences in optical absorption. KEYWORDS Organic photovoltaics, transparent

  2. Double-sided reel-to-reel metal-organic chemical vapor deposition system of YBa{sub 2}Cu{sub 3}O{sub 7-?} thin films

    SciTech Connect (OSTI)

    Zhang, Fei; Xiong, Jie, E-mail: jiexiong@uestc.edu.cn; Liu, Xin; Zhao, Ruipeng; Zhao, Xiaohui; Tao, Bowan; Li, Yanrong [State Key Laboratory of Electronic Thin Film and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China)

    2014-07-01T23:59:59.000Z

    Two-micrometer thick YBa{sub 2}Cu{sub 3}O{sub 7-?} (YBCO) films have been successfully deposited on both sides of LaAlO{sub 3} single crystalline substrates by using a home-made reel-to-reel metal-organic chemical vapor deposition (MOCVD) system, which has two opposite symmetrical shower heads and a special-designed heater. This technique can simultaneously fabricate double-sided films with high deposition rate up to 500?nm/min, and lead to doubling current carrying capability of YBCO, especially for coated conductors (CCs). X-ray diffraction analysis showed that YBCO films were well crystallized and highly epitaxial with the full width at half maximum values of 0.2°???0.3° for the rocking curves of (005) YBCO and 1.0° for ?-scans of (103) YBCO. Scanning electron microscope revealed dense, crack-free, slightly rough surface with Ba-Cu-O precipitates. The films showed critical current density (J{sub c}, 77?K, 0?T) of about 1 MA/cm{sup 2}, and overall critical current of 400?A/cm, ascribed to the double-sided structure. Our results also demonstrated that the temperature and composition in the deposition zone were uniform, which made MOCVD preparation of low cost and high performance double-sided YBCO CCs more promising for industrialization.

  3. The Partnership Evaluation Framework

    Broader source: Energy.gov [DOE]

    U.S. Department of Energy Better Buildings Neighborhood Program: The Partnership Evaluation Framework: How to evaluate a potential partner’s business model and identify areas for collaboration.

  4. van der Waals Corrected Density Functional Theory Calculations on Zeolitic Imidazolate Frameworks

    E-Print Network [OSTI]

    Ray, Keith G.

    2013-01-01T23:59:59.000Z

    handling on the hydrogen storage properties of zn4o (1, 4-low-pressure hydrogen adsorption properties of metal-organic

  5. Synthesis, structure and photoluminescence properties of amine-templated open-framework bismuth sulfates

    SciTech Connect (OSTI)

    Marri, Subba R.; Behera, J.N., E-mail: jnbehera@niser.ac.in

    2014-02-15T23:59:59.000Z

    Two organically-templated bismuth sulfates of the compositions, [C{sub 6}N{sub 2}H{sub 14}] [Bi(SO{sub 4}){sub 2}(NO{sub 3})], (1) and [C{sub 4}N{sub 2}H{sub 12}]{sub 4}[Bi{sub 4}(SO{sub 4}){sub 10}(H{sub 2}O){sub 4}], (2), with open architecture have been synthesized and their structures determined by single crystal X-ray diffraction. 1 has a corrugated layered structure with 8-membered aperture wherein the SO{sub 4} tetrahedra and the BiO{sub 8} polyhedra join together to form (4, 4) net sheets of the metal centers while 2 has a three-dimensional structure possessing 8- and 12-membered channels. Both the compounds show good fluorescence properties exhibiting blue luminescence. Time-resolved fluorescence behavior of 1 and 2 shows mean fluorescence life time of 0.9 and 1.0 ns, respectively. - Graphical abstract: Two open-framework bismuth sulfates with the layered and three-dimensional structures have been synthesized and characterized. Both the compounds show good fluorescence properties exhibiting blue luminescence. Display Omitted - Highlights: • Two organically-templated bismuth sulfates with open architecture have been synthesized and characterized. • One has a corrugated layered structure while the other one has a three-dimensional structure possessing channels. • They are novel in that open-framework three-dimensional main group metal sulfates are first to be reported. • They show good fluorescence properties exhibiting blue luminescence.

  6. Metal oxide films on metal

    DOE Patents [OSTI]

    Wu, Xin D. (Los Alamos, NM); Tiwari, Prabhat (Los Alamos, NM)

    1995-01-01T23:59:59.000Z

    A structure including a thin film of a conductive alkaline earth metal oxide selected from the group consisting of strontium ruthenium trioxide, calcium ruthenium trioxide, barium ruthenium trioxide, lanthanum-strontium cobalt oxide or mixed alkaline earth ruthenium trioxides thereof upon a thin film of a noble metal such as platinum is provided.

  7. Metal-Organic Heat Carrier Nanofluids. | EMSL

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

    Calculations for an R123 MOHC nanofluid indicated potential for up to 15% increase in power output. Capillary tube experiments show that liquid-vapor transitions occur without...

  8. Highly Reversible Open Framework Nanoscale Electrodes for Divalent Ion Batteries

    E-Print Network [OSTI]

    Cui, Yi

    Blue family of open framework materials, such as nickel hexacyanoferrate, allow for the reversible of protons and lithium ions into solid materials has led to the success of nickel metal hydride and lithium materials have been studied extensively.15,16,18,20-23 Electrodeposited PB thin films have demonstrated

  9. Framework for Physics Computation

    SciTech Connect (OSTI)

    Schwan, Karsten [Georgia Institute of Technology

    2012-01-13T23:59:59.000Z

    The Georgia Tech team has been working in collaboration with ORNL and Rutgers on improved I/O for petascale fusion codes, specifically, to integrate staging methods into the ADIOS framework. As part of this on-going work, we have released the DataTap server as part of the ADIOS release, and we have been working on improving the ‘in situ’ processing capabilities of the ADIOS framework. In particular, we have been moving forward with a design that adds additional metadata to describe the data layout and structure of data that is being moved for I/O purposes, building on the FFS type system developed in our past research

  10. Dendritic metal nanostructures

    DOE Patents [OSTI]

    Shelnutt, John A. (Tijeras, NM); Song, Yujiang (Albuquerque, NM); Pereira, Eulalia F. (Vila Nova de Gaia, PT); Medforth, Craig J. (Winters, CA)

    2010-08-31T23:59:59.000Z

    Dendritic metal nanostructures made using a surfactant structure template, a metal salt, and electron donor species.

  11. Vitrification of organics-containing wastes

    DOE Patents [OSTI]

    Bickford, D.F.

    1995-01-01T23:59:59.000Z

    A process for stabilizing organics-containing waste materials and recovery metals therefrom, and a waste glass product made according to the process are described. Vitrification of wastes such as organic ion exchange resins, electronic components and the like can be accomplished by mixing at least one transition metal oxide with the wastes, and, if needed, glass formers to compensate for a shortage of silicates or other glass formers in the wastes. The transition metal oxide increases the rate of oxidation of organic materials in the wastes to improve the composition of the glass-forming mixture: at low temperatures, the oxide catalyzes oxidation of a portion of the organics in the waste; at higher temperatures, the oxide dissolves and the resulting oxygen ions oxidize more of the organics; and at vitrification temperatures, the metal ions conduct oxygen into the melt to oxidize the remaining organics. In addition, the transition metal oxide buffers the redox potential of the glass melt so that metals such as Au, Pt, Ag, and Cu separate form the melt in the metallic state and can be recovered. After the metals are recovered, the remainder of the melt is allowed to cool and may subsequently be disposed of. The product has good leaching resistance and can be disposed of in an ordinary landfill, or, alternatively, used as a filler in materials such as concrete, asphalt, brick and tile.

  12. Vitrification of organics-containing wastes

    DOE Patents [OSTI]

    Bickford, D.F.

    1997-09-02T23:59:59.000Z

    A process is described for stabilizing organics-containing waste materials and recovering metals therefrom, and a waste glass product made according to the process is also disclosed. Vitrification of wastes such as organic ion exchange resins, electronic components and the like can be accomplished by mixing at least one transition metal oxide with the wastes, and, if needed, glass formers to compensate for a shortage of silicates or other glass formers in the wastes. The transition metal oxide increases the rate of oxidation of organic materials in the wastes to improve the composition of the glass-forming mixture: at low temperatures, the oxide catalyzes oxidation of a portion of the organics in the waste; at higher temperatures, the oxide dissolves and the resulting oxygen ions oxidize more of the organics; and at vitrification temperatures, the metal ions conduct oxygen into the melt to oxidize the remaining organics. In addition, the transition metal oxide buffers the redox potential of the glass melt so that metals such as Au, Pt, Ag, and Cu separate from the melt in the metallic state and can be recovered. After the metals are recovered, the remainder of the melt is allowed to cool and may subsequently be disposed of. The product has good leaching resistance and can be disposed of in an ordinary landfill, or, alternatively, used as a filler in materials such as concrete, asphalt, brick and tile. 1 fig.

  13. Vitrification of organics-containing wastes

    DOE Patents [OSTI]

    Bickford, Dennis F. (Aiken, SC)

    1997-01-01T23:59:59.000Z

    A process for stabilizing organics-containing waste materials and recovering metals therefrom, and a waste glass product made according to the process. Vitrification of wastes such as organic ion exchange resins, electronic components and the like can be accomplished by mixing at least one transition metal oxide with the wastes, and, if needed, glass formers to compensate for a shortage of silicates or other glass formers in the wastes. The transition metal oxide increases the rate of oxidation of organic materials in the wastes to improve the composition of the glass-forming mixture: at low temperatures, the oxide catalyzes oxidation of a portion of the organics in the waste; at higher temperatures, the oxide dissolves and the resulting oxygen ions oxidize more of the organics; and at vitrification temperatures, the metal ions conduct oxygen into the melt to oxidize the remaining organics. In addition, the transition metal oxide buffers the redox potential of the glass melt so that metals such as Au, Pt, Ag, and Cu separate from the melt in the metallic state and can be recovered. After the metals are recovered, the remainder of the melt is allowed to cool and may subsequently be disposed of. The product has good leaching resistance and can be disposed of in an ordinary landfill, or, alternatively, used as a filler in materials such as concrete, asphalt, brick and tile.

  14. Metal Model Mimics Metalloenzymes | Advanced Photon Source

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

    New Physics in a Copper-Iridium Compound A Key Target for Diabetes Drugs Molten Metal Solidifies into a New Kind of Glass Organic Polymers Show Sunny Potential A New Family of...

  15. Computational Modeling of Self-organization of Dislocations and...

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

    Computational Modeling of Self-organization of Dislocations and Mesoscale Deformation of Metals Event Sponsor: Mathematics and Computing Science - LANS Seminar Start Date: Jun 19...

  16. Graphene Produces More Efficient Charge Transport Inside an Organic

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

    Graphene Produces More Efficient Charge Transport Inside an Organic Semiconductor Graphene, a two dimensional semi-metal made of sp 2 hybridized carbon, is an outstanding material...

  17. Graphene Produces More Efficient Charge Transport Inside an Organic...

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

    Graphene Produces More Efficient Charge Transport Inside an Organic Semiconductor Friday, January 30, 2015 Graphene, a two dimensional semi-metal made of sp2 hybridized carbon, is...

  18. atmospheric organic matter: Topics by E-print Network

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

    Theses and Dissertations Summary: ??Dissolved natural organic matter (NOM) and heavy metals are ubiquitous in aqueous and terrestrial systems. Adsorption processes involving...

  19. 2 Swedish Research on Organic Farming wedish research on organic farming is to

    E-Print Network [OSTI]

    funded by research funders that have directed calls for research on organic food systems. These funders challenge. Publisher: EPOK ­ Centre for organic food and farming at The Swedish University of Agricultural will coordinate the process of compiling the next framework programme. EPOK ­ Centre for Organic Food and Farm

  20. The Umbra Simulation Framework

    SciTech Connect (OSTI)

    GOTTLIEB,ERIC; HARRIGAN,RAYMOND W.; MCDONALD,MICHAEL J.; OPPEL III,FRED J.; XAVIER,PATRICK G.

    2001-06-01T23:59:59.000Z

    Umbra is a new Sandia-developed modeling and simulation framework. The Umbra framework allows users to quickly build models and simulations for intelligent system development, analysis, experimentation, and control and supports tradeoff analyses of complex robotic systems, device, and component concepts. Umbra links together heterogeneous collections of modeling tools. The models in Umbra include 3D geometry and physics models of robots, devices and their environments. Model components can be built with varying levels of fidelity and readily switched to allow models built with low fidelity for conceptual analysis to be gradually converted to high fidelity models for later phase detailed analysis. Within control environments, the models can be readily replaced with actual control elements. This paper describes Umbra at a functional level and describes issues that Sandia uses Umbra to address.

  1. Framework theories in science

    E-Print Network [OSTI]

    Henderson, Leah

    2010-01-01T23:59:59.000Z

    This thesis consists of three papers on the nature of scientific theories and inference. In many cases, scientific theories can be regarded as organized into hierarchies, with higher levels sometimes called 'paradigms', ...

  2. Metal Hydrides

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your Density Isn't YourTransport(FactDepartment3311, 3312), OctoberMay 18-19,DepartmentEnergyMetalMetal

  3. Trending: Metal Oxo Bonds

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level:Energy: Grid Integration Redefining What'sis Taking Over OurThe Iron Spin Transition in2,EHSS A-Z Site Map OrganizationFAQTrending: Metal Oxo

  4. Trending: Metal Oxo Bonds

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level:Energy: Grid Integration Redefining What'sis Taking Over OurThe Iron Spin Transition in2,EHSS A-Z Site Map OrganizationFAQTrending: Metal

  5. Metal coupled emission process

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your Density Isn't YourTransport(FactDepartment3311, 3312), OctoberMayEnergy Metal Organic Heat Carrierscom,

  6. Polymer-assisted aqueous deposition of metal oxide films

    DOE Patents [OSTI]

    Li, DeQuan (Los Alamos, NM); Jia, Quanxi (Los Alamos, NM)

    2003-07-08T23:59:59.000Z

    An organic solvent-free process for deposition of metal oxide thin films is presented. The process includes aqueous solutions of necessary metal precursors and an aqueous solution of a water-soluble polymer. After a coating operation, the resultant coating is fired at high temperatures to yield optical quality metal oxide thin films.

  7. Trending: Metal Oxo Bonds

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

    including materials science, chemistry, and biology. Highly covalent metal-oxygen multiple bonds (metal oxos) are the building blocks of metal oxides and have a bearing...

  8. An urban intervention : enabling frameworks

    E-Print Network [OSTI]

    Harrigan, Neil Patrick

    1993-01-01T23:59:59.000Z

    The relationship between design and the idea of a framework is essentially an attitude about ordering. A framework is an Intellectual proposition which can support a variety ideas, and in doing so, it provides a resolution ...

  9. Metals Production Requirements for Rapid Photovoltaics Deployment

    E-Print Network [OSTI]

    Kavlak, Goksin; Jaffe, Robert L; Trancik, Jessika E

    2015-01-01T23:59:59.000Z

    If global photovoltaics (PV) deployment grows rapidly, the required input materials need to be supplied at an increasing rate. In this paper, we quantify the effect of PV deployment levels on the scale of metals production. For example, we find that if cadmium telluride {copper indium gallium diselenide} PV accounts for more than 3% {10%} of electricity generation by 2030, the required growth rates for the production of indium and tellurium would exceed historically-observed production growth rates for a large set of metals. In contrast, even if crystalline silicon PV supplies all electricity in 2030, the required silicon production growth rate would fall within the historical range. More generally, this paper highlights possible constraints to the rate of scaling up metals production for some PV technologies, and outlines an approach to assessing projected metals growth requirements against an ensemble of past growth rates from across the metals production sector. The framework developed in this paper may be...

  10. Ambient-pressure organic superconductor

    DOE Patents [OSTI]

    Williams, Jack M. (Downers Grove, IL); Wang, Hsien-Hau (Willowbrook, IL); Beno, Mark A. (Woodridge, IL)

    1986-01-01T23:59:59.000Z

    A new class of organic superconductors having the formula (ET).sub.2 MX.sub.2 wherein ET represents bis(ethylenedithio)-tetrathiafulvalene, M is a metal such as Au, Ag, In, Tl, Rb, Pd and the like and X is a halide. The superconductor (ET).sub.2 AuI.sub.2 exhibits a transition temperature of 5 K which is high for organic superconductors.

  11. Enterprise Risk Management Framework

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField8, 2000ConsumptionInnovation PortalHanford Site WasteFramework The

  12. Metal resistance sequences and transgenic plants

    DOE Patents [OSTI]

    Meagher, Richard Brian (Athens, GA); Summers, Anne O. (Athens, GA); Rugh, Clayton L. (Athens, GA)

    1999-10-12T23:59:59.000Z

    The present invention provides nucleic acid sequences encoding a metal ion resistance protein, which are expressible in plant cells. The metal resistance protein provides for the enzymatic reduction of metal ions including but not limited to divalent Cu, divalent mercury, trivalent gold, divalent cadmium, lead ions and monovalent silver ions. Transgenic plants which express these coding sequences exhibit increased resistance to metal ions in the environment as compared with plants which have not been so genetically modified. Transgenic plants with improved resistance to organometals including alkylmercury compounds, among others, are provided by the further inclusion of plant-expressible organometal lyase coding sequences, as specifically exemplified by the plant-expressible merB coding sequence. Furthermore, these transgenic plants which have been genetically modified to express the metal resistance coding sequences of the present invention can participate in the bioremediation of metal contamination via the enzymatic reduction of metal ions. Transgenic plants resistant to organometals can further mediate remediation of organic metal compounds, for example, alkylmetal compounds including but not limited to methyl mercury, methyl lead compounds, methyl cadmium and methyl arsenic compounds, in the environment by causing the freeing of mercuric or other metal ions and the reduction of the ionic mercury or other metal ions to the less toxic elemental mercury or other metals.

  13. Metalization of lipid vesicles via electroless plating

    SciTech Connect (OSTI)

    Ferrar, W.T.; O'Brien, D.F.; Warshawsky, A.; Voycheck, C.L.

    1988-01-06T23:59:59.000Z

    The encapsulation of metallic particles and metallic oxides within lipid vesicles has recently been of interest for applications such as catalysis, water splitting, and magnetic control of spin coupling. In this communication the authors introduce the concept and practice of the deposition of metal on vesicles by using electroless plating techniques. Coordination of low valent transition metals to organic functional groups on the surface of the bilayer membrane provides a means of binding metal atoms to vesicles. Chemical reduction produced zero valent atoms which serve as sites for further metal deposition by the chemical reduction techniques of electroless plating. Specifically, this procedure involved the binding of a small amount of tetrachloropalladate to the vesicle bilayer, reduction of the palladium(II) to palladium(0), followed by the deposition of much larger amounts of metal from an electroless plating solution. Electroless plating solutions were used for the deposition of palladium, nickel, cobalt, or copper metal onto the catalytic palladium centers. Since the metallic particles were associated with the vesicles, colloids were formed that were stable in water for much longer periods than the control metal particles formed in water alone. If the vesicles were composed in part of unsaturated lipids, with the olefinic groups on the hydrocarbon chains, the initial evidence suggests the transition metal was directed into the bilayer, rather than staying on the surface.

  14. Removal of metal ions from aqueous solution

    DOE Patents [OSTI]

    Jackson, Paul J. (both Los Alamos, NM); Delhaize, Emmanuel (both Los Alamos, NM); Robinson, Nigel J. (Durham, GB2); Unkefer, Clifford J. (Los Alamos, NM); Furlong, Clement (Seattle, WA)

    1990-11-13T23:59:59.000Z

    A method of removing heavy metals from aqueous solution, a composition of matter used in effecting said removal, and apparatus used in effecting said removal. One or more of the polypeptides, poly (.gamma.-glutamylcysteinyl)glycines, is immobilized on an inert material in particulate form. Upon contact with an aqueous solution containing heavy metals, the polypeptides sequester the metals, removing them from the solution. There is selectivity of poly (.gamma.-glutamylcysteinyl)glycines having a particular number of monomer repeat unit for particular metals. The polypeptides are easily regenerated by contact with a small amount of an organic acid, so that they can be used again to remove heayv metals from solution. This also results in the removal of the metals from the column in a concentrated form.

  15. Removal of metal ions from aqueous solution

    DOE Patents [OSTI]

    Jackson, Paul J. (Los Alamos, NM); Delhaize, Emmanuel (Los Alamos, NM); Robinson, Nigel J. (Durham, GB2); Unkefer, Clifford J. (Los Alamos, NM); Furlong, Clement (Seattle, WA)

    1990-01-01T23:59:59.000Z

    A method of removing heavy metals from aqueous solution, a composition of matter used in effecting said removal, and apparatus used in effecting said removal. One or more of the polypeptides, poly (.gamma.-glutamylcysteinyl)glycines, is immobilized on an inert material in particulate form. Upon contact with an aqueous solution containing heavy metals, the polypeptides sequester the metals, removing them from the solution. There is selectivity of poly (.gamma.-glutamylcysteinyl)glycines having a particular number of monomer repeat units for particular metals. The polypeptides are easily regenerated by contact with a small amount of an organic acid, so that they can be used again to remove heavy metals from solution. This also results in the removal of the metals from the column in a concentrated form.

  16. An object-oriented framework to organize genomic data

    E-Print Network [OSTI]

    Wei, Ning

    2009-05-15T23:59:59.000Z

    Bioinformatics resources should provide simple and flexible support for genomics research. A huge amount of gene mapping data, micro-array expression data, expressed sequence tags (EST), BAC sequence data and genome sequence data are already...

  17. Distributed Information Organization and Management Framework for Regulation Compliance

    E-Print Network [OSTI]

    Stanford University

    such a system for a specific regulation compliance area that has an urgent demand. We select hazardous waste to hazardous waste management, we investigate the issues towards building an information infrastructure Government's Lines of Business and its services to the citizen. The BRM identifies three major business areas

  18. Method of photocatalytic conversion of C-H organics

    DOE Patents [OSTI]

    Camaioni, Donald M. (Richland, WA); Lilga, Michael A. (Richland, WA)

    1998-01-01T23:59:59.000Z

    The present invention is the addition of a semiconductor material and energy to the reaction mixture of organic, acid (for example, trifluoroacetate), and oxygen. A transition metal ion may be added to the reaction mixture. The semiconductor material converts energy to oxidants thereby promoting oxidation of the organic. Alternatively, using metal in combination with exposure to light may be used.

  19. Method of photocatalytic conversion of C-H organics

    DOE Patents [OSTI]

    Camaioni, D.M.; Lilga, M.A.

    1998-01-13T23:59:59.000Z

    The present invention is the addition of a semiconductor material and energy to the reaction mixture of organic, acid (for example, trifluoroacetate), and oxygen. A transition metal ion may be added to the reaction mixture. The semiconductor material converts energy to oxidants thereby promoting oxidation of the organic. Alternatively, using metal in combination with exposure to light may be used.

  20. Energy Sector Cybersecurity Framework Implementation Guidance

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

    DRAFT FOR PUBLIC COMMENT SEPTEMBER, 2014 ENERGY SECTOR CYBERSECURITY FRAMEWORK IMPLEMENTATION GUIDANCE Energy Sector Cybersecurity Framework Implementation Guidance Table of...

  1. A Framework for Modeling Strategy, Business Processes and Information Systems

    E-Print Network [OSTI]

    A Framework for Modeling Strategy, Business Processes and Information Systems André Vasconcelos, an organization requires modeling its business processes. Business process modeling comprises the description is used not only in the business but also in the software domain. To represent the goal model, we propose

  2. Zeolitic imidazolate frameworks for kinetic separation of propane and propene

    SciTech Connect (OSTI)

    Li, Jing; Li, Kunhao; Olson, David H.

    2014-08-05T23:59:59.000Z

    Zeolitic Imidazolate Frameworks (ZIFs) characterized by organic ligands consisting of imidazole ligands that are either essentially all 2-chloroimidazole ligands or essentially all 2-bromoimidazole ligands are disclosed. Methods for separating propane and propene with the ZIFs of the present invention, as well as other ZIFs, are also disclosed.

  3. Knowledge Framework Implementation with Multiple Architectures - 13090

    SciTech Connect (OSTI)

    Upadhyay, H.; Lagos, L.; Quintero, W.; Shoffner, P. [Applied Research Center, Florida International University, Miami, FL 33174 (United States)] [Applied Research Center, Florida International University, Miami, FL 33174 (United States); DeGregory, J. [Office of D and D and Facility Engineering, Environmental Management, Department of Energy (United States)] [Office of D and D and Facility Engineering, Environmental Management, Department of Energy (United States)

    2013-07-01T23:59:59.000Z

    Multiple kinds of knowledge management systems are operational in public and private enterprises, large and small organizations with a variety of business models that make the design, implementation and operation of integrated knowledge systems very difficult. In recent days, there has been a sweeping advancement in the information technology area, leading to the development of sophisticated frameworks and architectures. These platforms need to be used for the development of integrated knowledge management systems which provides a common platform for sharing knowledge across the enterprise, thereby reducing the operational inefficiencies and delivering cost savings. This paper discusses the knowledge framework and architecture that can be used for the system development and its application to real life need of nuclear industry. A case study of deactivation and decommissioning (D and D) is discussed with the Knowledge Management Information Tool platform and framework. D and D work is a high priority activity across the Department of Energy (DOE) complex. Subject matter specialists (SMS) associated with DOE sites, the Energy Facility Contractors Group (EFCOG) and the D and D community have gained extensive knowledge and experience over the years in the cleanup of the legacy waste from the Manhattan Project. To prevent the D and D knowledge and expertise from being lost over time from the evolving and aging workforce, DOE and the Applied Research Center (ARC) at Florida International University (FIU) proposed to capture and maintain this valuable information in a universally available and easily usable system. (authors)

  4. On Coating Durability of Polymer Coated Sheet Metal under Plastic Deformation 

    E-Print Network [OSTI]

    Huang, Yu-Hsuan

    2011-08-08T23:59:59.000Z

    Polymer coated sheet metal components find diverse applications in many industries. The manufacturing of the components generally involves forming of sheet metal into the desired shape and coating of the formed part with organic coating...

  5. Radioactively Contaminated Scrap Metal An International Approach to Monitoring, Interception & Managing

    E-Print Network [OSTI]

    Customs Organization (WCO) · Scrap processing consultant · International Atomic Energy Agency (IAEARadioactively Contaminated Scrap Metal An International Approach to Monitoring, Interception of monitoring requirements and procedures Standardization of monitoring of scrap metal and response to alarms

  6. Transportation System Readiness and Resiliency Assessment Framework: Readiness and Assess Resiliency of

    E-Print Network [OSTI]

    Transportation System Readiness and Resiliency Assessment Framework: Readiness and Assess Resiliency of Transportation Systems (Infrastructure, Systems, Organization and Services) to Deter, Detect Flows Passenger Flows Supply Chain Efficiency Transportation: Energy Environment Safety Security Vehicle

  7. Extracting metals directly from metal oxides

    DOE Patents [OSTI]

    Wai, C.M.; Smart, N.G.; Phelps, C.

    1997-02-25T23:59:59.000Z

    A method of extracting metals directly from metal oxides by exposing the oxide to a supercritical fluid solvent containing a chelating agent is described. Preferably, the metal is an actinide or a lanthanide. More preferably, the metal is uranium, thorium or plutonium. The chelating agent forms chelates that are soluble in the supercritical fluid, thereby allowing direct removal of the metal from the metal oxide. In preferred embodiments, the extraction solvent is supercritical carbon dioxide and the chelating agent is selected from the group consisting of {beta}-diketones, halogenated {beta}-diketones, phosphinic acids, halogenated phosphinic acids, carboxylic acids, halogenated carboxylic acids, and mixtures thereof. In especially preferred embodiments, at least one of the chelating agents is fluorinated. The method provides an environmentally benign process for removing metals from metal oxides without using acids or biologically harmful solvents. The chelate and supercritical fluid can be regenerated, and the metal recovered, to provide an economic, efficient process. 4 figs.

  8. Extracting metals directly from metal oxides

    DOE Patents [OSTI]

    Wai, Chien M. (Moscow, ID); Smart, Neil G. (Moscow, ID); Phelps, Cindy (Moscow, ID)

    1997-01-01T23:59:59.000Z

    A method of extracting metals directly from metal oxides by exposing the oxide to a supercritical fluid solvent containing a chelating agent is described. Preferably, the metal is an actinide or a lanthanide. More preferably, the metal is uranium, thorium or plutonium. The chelating agent forms chelates that are soluble in the supercritical fluid, thereby allowing direct removal of the metal from the metal oxide. In preferred embodiments, the extraction solvent is supercritical carbon dioxide and the chelating agent is selected from the group consisting of .beta.-diketones, halogenated .beta.-diketones, phosphinic acids, halogenated phosphinic acids, carboxylic acids, halogenated carboxylic acids, and mixtures thereof. In especially preferred embodiments, at least one of the chelating agents is fluorinated. The method provides an environmentally benign process for removing metals from metal oxides without using acids or biologically harmful solvents. The chelate and supercritical fluid can be regenerated, and the metal recovered, to provide an economic, efficient process.

  9. A Structured Framework for Assessing the "Goodness" of Agile Methods

    E-Print Network [OSTI]

    Soundararajan, Shvetha

    2010-01-01T23:59:59.000Z

    Agile Methods are designed for customization; they offer an organization or a team the flexibility to adopt a set of principles and practices based on their culture and values. While that flexibility is consistent with the agile philosophy, it can lead to the adoption of principles and practices that can be sub-optimal relative to the desired objectives. We question then, how can one determine if adopted practices are "in sync" with the identified principles, and to what extent those principles support organizational objectives? In this research, we focus on assessing the "goodness" of an agile method adopted by an organization based on (1) its adequacy, (2) the capability of the organization to provide the supporting environment to competently implement the method, and (3) its effectiveness. To guide our assessment, we propose the Objectives, Principles and Practices (OPP) framework. The design of the OPP framework revolves around the identification of the agile objectives, principles that support the achiev...

  10. Catalytic extraction processing of contaminated scrap metal

    SciTech Connect (OSTI)

    Griffin, T.P.; Johnston, J.E.; Payea, B.M.; Zeitoon, B.M.

    1995-12-01T23:59:59.000Z

    Molten Metal Technology was awarded a contract to demonstrate the applicability of the Catalytic Extraction Process, a proprietary process that could be applied to US DOE`s inventory of low level mixed waste. This paper is a description of that technology, and included within this document are discussions of: (1) Program objectives, (2) Overall technology review, (3) Organic feed conversion to synthetic gas, (4) Metal, halogen, and transuranic recovery, (5) Demonstrations, (6) Design of the prototype facility, and (7) Results.

  11. Nanoheterostructure Cation Exchange: Anionic Framework Conservation

    SciTech Connect (OSTI)

    Jain, Prashant K.; Amirav, Lilac; Aloni, Shaul; Alivisatos, A. Paul

    2010-05-11T23:59:59.000Z

    In ionic nanocrystals the cationic sub-lattice can be replaced with a different metal ion via a fast, simple, and reversible place-exchange, allowing post-synthetic modification of the composition of the nanocrystal, while preserving its size and shape. Here, we demonstrate for the first time that during such an exchange, the anionic framework of the crystal is preserved. When applied to nanoheterostructures, this phenomenon ensures that compositional interfaces within the heterostructure are conserved throughout the transformation. For instance, a morphology composed of a CdSe nanocrystal embedded in a CdS rod (CdSe/CdS) was exchanged to a PbSe/PbS nanorod via a Cu2Se/Cu2S structure. During every exchange cycle, the seed size and position within the nanorod were preserved, as evident by excitonic features, Z-contrast imaging, and elemental line-scans. Anionic framework conservation extends the domain of cation exchange to the design of more complex and unique nanostructures.

  12. Leadership, Organizations

    E-Print Network [OSTI]

    Palmeri, Thomas

    Leadership, Policy & Organizations #12;2 At Peabody students have the opportunity to develop new College, in the Department of Leadership, Policy and Organizations (LPO). The faculty believes Patricia and Rodes Hart Chair, and Professor of Education Policy and Leadership, Ellen Goldring also serves

  13. Synthesis metal nanoparticle

    DOE Patents [OSTI]

    Bunge, Scott D.; Boyle, Timothy J.

    2005-08-16T23:59:59.000Z

    A method for providing an anhydrous route for the synthesis of amine capped coinage-metal (copper, silver, and gold) nanoparticles (NPs) using the coinage-metal mesityl (mesityl=C.sub.6 H.sub.2 (CH.sub.3).sub.3 -2,4,6) derivatives. In this method, a solution of (Cu(C.sub.6 H.sub.2 (CH.sub.3).sub.3).sub.5, (Ag(C.sub.6 H.sub.2 (CH.sub.3).sub.3).sub.4, or (Au(C.sub.6 H.sub.2 (CH.sub.3).sub.3).sub.5 is dissolved in a coordinating solvent, such as a primary, secondary, or tertiary amine; primary, secondary, or tertiary phosphine, or alkyl thiol, to produce a mesityl precursor solution. This solution is subsequently injected into an organic solvent that is heated to a temperature greater than approximately 100.degree. C. After washing with an organic solvent, such as an alcohol (including methanol, ethanol, propanol, and higher molecular-weight alcohols), oxide free coinage NP are prepared that could be extracted with a solvent, such as an aromatic solvent (including, for example, toluene, benzene, and pyridine) or an alkane (including, for example, pentane, hexane, and heptane). Characterization by UV-Vis spectroscopy and transmission electron microscopy showed that the NPs were approximately 9.2.+-.2.3 nm in size for Cu.degree., (no surface oxide present), approximately 8.5.+-.1.1 nm Ag.degree. spheres, and approximately 8-80 nm for Au.degree..

  14. Metal-phosphate binders

    DOE Patents [OSTI]

    Howe, Beth Ann [Lewistown, IL; Chaps-Cabrera, Jesus Guadalupe [Coahuila, MX

    2009-05-12T23:59:59.000Z

    A metal-phosphate binder is provided. The binder may include an aqueous phosphoric acid solution, a metal-cation donor including a metal other than aluminum, an aluminum-cation donor, and a non-carbohydrate electron donor.

  15. Sewage sludge dewatering using flowing liquid metals

    DOE Patents [OSTI]

    Carlson, Larry W. (Oswego, IL)

    1986-01-01T23:59:59.000Z

    A method and apparatus for reducing the moisture content of a moist sewage sludge having a moisture content of about 50% to 80% and formed of small cellular micro-organism bodies having internally confined water is provided. A hot liquid metal is circulated in a circulation loop and the moist sewage sludge is injected in the circulation loop under conditions of temperature and pressure such that the confined water vaporizes and ruptures the cellular bodies. The vapor produced, the dried sludge, and the liquid metal are then separated. Preferably, the moist sewage sludge is injected into the hot liquid metal adjacent the upstream side of a venturi which serves to thoroughly mix the hot liquid metal and the moist sewage sludge. The venturi and the drying zone after the venturi are preferably vertically oriented. The dried sewage sludge recovered is available as a fuel and is preferably used for heating the hot liquid metal.

  16. Incorporation of noble metals into aerogels

    DOE Patents [OSTI]

    Hair, L.M.; Sanner, R.D.; Coronado, P.R.

    1998-12-22T23:59:59.000Z

    Aerogels or xerogels containing atomically dispersed noble metals for applications such as environmental remediation are disclosed. New noble metal precursors, such as Pt--Si or Pd(Si--P){sub 2}, have been created to bridge the incompatibility between noble metals and oxygen, followed by their incorporation into the aerogel or xerogel through sol-gel chemistry and processing. Applications include oxidation of hydrocarbons and reduction of nitrogen oxide species, complete oxidation of volatile organic carbon species, oxidative membranes for photocatalysis and partial oxidation for synthetic applications.

  17. Incorporation of noble metals into aerogels

    DOE Patents [OSTI]

    Hair, Lucy M. (Livermore, CA); Sanner, Robert D. (Livermore, CA); Coronado, Paul R. (Livermore, CA)

    1998-01-01T23:59:59.000Z

    Aerogels or xerogels containing atomically dispersed noble metals for applications such environmental remediation. New noble metal precursors, such as Pt--Si or Pd(Si--P).sub.2, have been created to bridge the incompatibility between noble metals and oxygen, followed by their incorporation into the aerogel or xerogel through sol-gel chemistry and processing. Applications include oxidation of hydrocarbons and reduction of nitrogen oxide species, complete oxidation of volatile organic carbon species, oxidative membranes for photocatalysis and partial oxidation for synthetic applications.

  18. Metal Hydrides - Science Needs

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

    with traditions in metal hydride research Metal and Ceramic Sciences Condensed Matter Physics Materials Chemistry Chemical and Biological Sciences Located on campus of Tier...

  19. Organic Superconductors

    SciTech Connect (OSTI)

    Charles Mielke

    2009-02-27T23:59:59.000Z

    Intense magnetic fields are an essential tool for understanding layered superconductors. Fundamental electronic properties of organic superconductors are revealed in intense (60 tesla) magnetic fields. Properties such as the topology of the Fermi surface and the nature of the superconducting order parameter are revealed. With modest maximum critical temperatures~13K the charge transfer salt organic superconductors prove to be incredibly valuable materials as their electronically clean nature and layered (highly anisotropic) structures yield insights to the high temperature superconductors. Observation of de Haas-van Alphen and Shubnikov-de Haas quantum oscillatory phenomena, magnetic field induced superconductivity and re-entrant superconductivity are some of the physical phenomena observed in the charge transfer organic superconductors. In this talk, I will discuss the nature of organic superconductors and give an overview of the generation of intense magnetic fields; from the 60 tesla millisecond duration to the extreme 1000 tesla microsecond pulsed magnetic fields.

  20. A Framework for Defining Logics 

    E-Print Network [OSTI]

    Plotkin, Gordon; Honsell, Furio; Harper, Robert

    1993-01-01T23:59:59.000Z

    The Edinburgh Logical Framework (LF) provides a means to define (or present) logics. It is based on a general treatment of syntax, rules, and proofs by means of a typed ?-calculus with dependent types. Syntax is treated ...

  1. MANCHESTER METROPOLITAN UNIVERSITY POLICY FRAMEWORK

    E-Print Network [OSTI]

    AND ACADEMIC SERVICES GOVERNANCE AND SECRETARIAT TEAM POLICY FRAMEWORK AND EQUALITY IMPACT ASSESSMENT (EIA date, date EIA approved, approval body and review date. Other points to consider include: Additional

  2. UC SECURITY FRAMEWORK 2011 -2012

    E-Print Network [OSTI]

    Hickman, Mark

    1 UC SECURITY FRAMEWORK 2011 - 2012 #12;2 Contents Background..................................................................................................................................4 About UC Security & Campus Community Support .................................................................5 Security Service Authority and Relationship with NZ Police and Emergency Services ...........5

  3. Sample Business Plan Framework 3

    Broader source: Energy.gov [DOE]

    U.S. Department of Energy Better Buildings Neighborhood Program: Sample Business Plan Framework 1: A program seeking to continue operations in the post-grant period as a not-for-profit (NGO) entity.

  4. Sample Business Plan Framework 2

    Broader source: Energy.gov [DOE]

    U.S. Department of Energy Better Buildings Neighborhood Program: Sample Business Plan Framework 1: A program seeking to continue operations in the post-grant period as a not-for-profit (NGO) entity.

  5. Sample Business Plan Framework 4

    Broader source: Energy.gov [DOE]

    U.S. Department of Energy Better Buildings Neighborhood Program: Sample Business Plan Framework 1: A program seeking to continue operations in the post-grant period as a not-for-profit (NGO) entity.

  6. Sample Business Plan Framework 1

    Broader source: Energy.gov [DOE]

    U.S. Department of Energy Better Buildings Neighborhood Program: Sample Business Plan Framework 1: A program seeking to continue operations in the post-grant period as a not-for-profit (NGO) entity.

  7. A coupled theory for diffusion of hydrogen and large elastic-plastic deformations of metals

    E-Print Network [OSTI]

    Di Leo, Claudio V

    2012-01-01T23:59:59.000Z

    A thermodynamically-consistent coupled-theory which accounts for diffusion of hydrogen, trapping of hydrogen, diffusion of heat, and large elastic-plastic deformations of metals is developed. Our theoretical framework ...

  8. Retrograde melting in transition metal-silicon systems : thermodynamic modeling, experimental verification, and potential application

    E-Print Network [OSTI]

    Fenning, David P

    2010-01-01T23:59:59.000Z

    A theoretical framework is presented in this work for retrograde melting in silicon driven by the retrograde solubility of low-concentration metallic solutes at temperatures above the binary eutectic. High enthalpy of ...

  9. A Low Temperature Fully Lithographic Process For Metal–Oxide Field-Effect Transistors

    E-Print Network [OSTI]

    Sodini, Charles G.

    We report a low temperature ( ~ 100à °C) lithographic method for fabricating hybrid metal oxide/organic field-effect transistors (FETs) that combine a zinc-indium-oxide (ZIO) semiconductor channel and organic, parylene, ...

  10. Heavy metal biosensor

    SciTech Connect (OSTI)

    Hillson, Nathan J; Shapiro, Lucille; Hu, Ping; Andersen, Gary L

    2014-04-15T23:59:59.000Z

    Compositions and methods are provided for detection of certain heavy metals using bacterial whole cell biosensors.

  11. Direct synthesis of ordered mesoporous materials constructed with polymersilica hybrid frameworks

    E-Print Network [OSTI]

    Kim, Ji Man

    to obtain the organic­inorganic hybrid mesoporous materials. The post-synthesis procedure via graftingDirect synthesis of ordered mesoporous materials constructed with polymer­silica hybrid frameworks for pore surface modification.5 Second is the one-pot synthesis of mesoporous materials with an organically

  12. Thermoelectric Activities of European Community within Framework...

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

    of European Community within Framework Programme 7 and additional activities in Germany Thermoelectric Activities of European Community within Framework Programme 7 and...

  13. International Framework for Nuclear Energy Cooperation (IFNEC...

    Energy Savers [EERE]

    International Framework for Nuclear Energy Cooperation (IFNEC) Expert meetings in Romania International Framework for Nuclear Energy Cooperation (IFNEC) Expert meetings in Romania...

  14. SDS: A Framework for Scientific Data Services

    SciTech Connect (OSTI)

    Dong, Bin; Byna, Surendra; Wu, Kesheng

    2013-10-31T23:59:59.000Z

    Large-scale scientific applications typically write their data to parallel file systems with organizations designed to achieve fast write speeds. Analysis tasks frequently read the data in a pattern that is different from the write pattern, and therefore experience poor I/O performance. In this paper, we introduce a prototype framework for bridging the performance gap between write and read stages of data access from parallel file systems. We call this framework Scientific Data Services, or SDS for short. This initial implementation of SDS focuses on reorganizing previously written files into data layouts that benefit read patterns, and transparently directs read calls to the reorganized data. SDS follows a client-server architecture. The SDS Server manages partial or full replicas of reorganized datasets and serves SDS Clients' requests for data. The current version of the SDS client library supports HDF5 programming interface for reading data. The client library intercepts HDF5 calls and transparently redirects them to the reorganized data. The SDS client library also provides a querying interface for reading part of the data based on user-specified selective criteria. We describe the design and implementation of the SDS client-server architecture, and evaluate the response time of the SDS Server and the performance benefits of SDS.

  15. Site transition framework for long-term surveillance and maintenance

    SciTech Connect (OSTI)

    none,

    2014-04-01T23:59:59.000Z

    This document provides a framework for all U.S. Department of Energy (DOE) facilities and sites where DOE may have anticipated long-term surveillance and maintenance (LTSM) responsibilities. It is a tool to help facilitate a smooth transition from remediation to LTSM, providing a systematic process for affected parties to utilize in analyzing the baseline to understand and manage the actions from EM mission completion through a site’s transition into LTSM. The framework is not meant to provide an exhaustive list of the specific requirement and information that are needed. Sites will have unique considerations that may not be adequately addressed by this tool, and it is anticipated that a team comprised of the transferring and receiving organization will use judgment in utilizing this augmenting with other DOE guidance. However the framework should be followed to the extent possible at each site; and adapted to accommodate unique site-specific requirements, needs, and documents. Since the objective of the tool is facilitate better understanding of the conditions of the site and the actions required for transfer, the transition team utilizing the checklist is expected to consult with management of both the receiving and transferring organization to verify that major concerns are addressed. Ideally, this framework should be used as early in the remediation process as possible. Subsequent applications of the Site Transition Framework (STF) to the site should be conducted periodically and used to verify that all appropriate steps have been or will be taken to close-out the site and that actions by both organization are identified to transfer the site to LTSM. The requirements are provided herein.

  16. Final Report: Metal Perhydrides for Hydrogen Storage

    SciTech Connect (OSTI)

    Hwang, J-Y.; Shi, S.; Hackney, S.; Swenson, D.; Hu, Y.

    2011-07-26T23:59:59.000Z

    Hydrogen is a promising energy source for the future economy due to its environmental friendliness. One of the important obstacles for the utilization of hydrogen as a fuel source for applications such as fuel cells is the storage of hydrogen. In the infrastructure of the expected hydrogen economy, hydrogen storage is one of the key enabling technologies. Although hydrogen possesses the highest gravimetric energy content (142 KJ/g) of all fuels, its volumetric energy density (8 MJ/L) is very low. It is desired to increase the volumetric energy density of hydrogen in a system to satisfy various applications. Research on hydrogen storage has been pursed for many years. Various storage technologies, including liquefaction, compression, metal hydride, chemical hydride, and adsorption, have been examined. Liquefaction and high pressure compression are not desired due to concerns related to complicated devices, high energy cost and safety. Metal hydrides and chemical hydrides have high gravimetric and volumetric energy densities but encounter issues because high temperature is required for the release of hydrogen, due to the strong bonding of hydrogen in the compounds. Reversibility of hydrogen loading and unloading is another concern. Adsorption of hydrogen on high surface area sorbents such as activated carbon and organic metal frameworks does not have the reversibility problem. But on the other hand, the weak force (primarily the van der Waals force) between hydrogen and the sorbent yields a very small amount of adsorption capacity at ambient temperature. Significant storage capacity can only be achieved at low temperatures such as 77K. The use of liquid nitrogen in a hydrogen storage system is not practical. Perhydrides are proposed as novel hydrogen storage materials that may overcome barriers slowing advances to a hydrogen fuel economy. In conventional hydrides, e.g. metal hydrides, the number of hydrogen atoms equals the total valence of the metal ions. One LiH molecule contains one hydrogen atom because the valence of a Li ion is +1. One MgH2 molecule contains two hydrogen atoms because the valence of a Mg ion is +2. In metal perhydrides, a molecule could contain more hydrogen atoms than expected based on the metal valance, i.e. LiH1+n and MgH2+n (n is equal to or greater than 1). When n is sufficiently high, there will be plenty of hydrogen storage capacity to meet future requirements. The existence of hydrogen clusters, Hn+ (n = 5, 7, 9, 11, 13, 15) and transition metal ion-hydrogen clusters, M+(H2)n (n = 1-6), such as Sc(H2)n+, Co(H2)n+, etc., have assisted the development of this concept. Clusters are not stable species. However, their existence stimulates our approach on using electric charges to enhance the hydrogen adsorption in a hydrogen storage system in this study. The experimental and modeling work to verify it are reported here. Experimental work included the generation of cold hydrogen plasma through a microwave approach, synthesis of sorbent materials, design and construction of lab devices, and the determination of hydrogen adsorption capacities on various sorbent materials under various electric field potentials and various temperatures. The results consistently show that electric potential enhances the adsorption of hydrogen on sorbents. NiO, MgO, activated carbon, MOF, and MOF and platinum coated activated carbon are some of the materials studied. Enhancements up to a few hundred percents have been found. In general, the enhancement increases with the electrical potential, the pressure applied, and the temperature lowered. Theoretical modeling of the hydrogen adsorption on the sorbents under the electric potential has been investigated with the density functional theory (DFT) approach. It was found that the interaction energy between hydrogen and sorbent is increased remarkably when an electric field is applied. This increase of binding energy offers a potential solution for DOE when looking for a compromise between chemisorption and physisorption for hydrogen storage. Bonding of chemisorption is too

  17. UC DAVIS PHYSICAL DESIGN FRAMEWORK PHYSICAL DESIGN FRAMEWORK

    E-Print Network [OSTI]

    California at Davis, University of

    Campus Framework Strengthen the civic core 3.1 Amplify the bus/bike boulevard 3.2 Connect to the arboretum 3.3 Create identity for district centers 3.4 Connect campus entries to the greater community 3.5 4.2 Appendices 1 West Village Neighborhood Master Plan www.ormp.ucdavis.edu/environreview/lrdp.html#NMP 2 Bike

  18. SCALING AN URBAN EMERGENCY EVACUATION FRAMEWORK: CHALLENGES AND PRACTICES

    SciTech Connect (OSTI)

    Karthik, Rajasekar [ORNL; Lu, Wei [ORNL

    2014-01-01T23:59:59.000Z

    Critical infrastructure disruption, caused by severe weather events, natural disasters, terrorist attacks, etc., has significant impacts on urban transportation systems. We built a computational framework to simulate urban transportation systems under critical infrastructure disruption in order to aid real-time emergency evacuation. This framework will use large scale datasets to provide a scalable tool for emergency planning and management. Our framework, World-Wide Emergency Evacuation (WWEE), integrates population distribution and urban infrastructure networks to model travel demand in emergency situations at global level. Also, a computational model of agent-based traffic simulation is used to provide an optimal evacuation plan for traffic operation purpose [1]. In addition, our framework provides a web-based high resolution visualization tool for emergency evacuation modelers and practitioners. We have successfully tested our framework with scenarios in both United States (Alexandria, VA) and Europe (Berlin, Germany) [2]. However, there are still some major drawbacks for scaling this framework to handle big data workloads in real time. On our back-end, lack of proper infrastructure limits us in ability to process large amounts of data, run the simulation efficiently and quickly, and provide fast retrieval and serving of data. On the front-end, the visualization performance of microscopic evacuation results is still not efficient enough due to high volume data communication between server and client. We are addressing these drawbacks by using cloud computing and next-generation web technologies, namely Node.js, NoSQL, WebGL, Open Layers 3 and HTML5 technologies. We will describe briefly about each one and how we are using and leveraging these technologies to provide an efficient tool for emergency management organizations. Our early experimentation demonstrates that using above technologies is a promising approach to build a scalable and high performance urban emergency evacuation framework that can improve traffic mobility and safety under critical infrastructure disruption in today s socially connected world.

  19. A Model Reduction Framework for Efficient Simulation of Li-Ion Batteries

    E-Print Network [OSTI]

    of degradation processes in lithium-ion batteries, the modelling of cell dynamics at the mircometer scale lithium-ion batteries is the deposition of metallic lithium at the negative battery electrode (LiA Model Reduction Framework for Efficient Simulation of Li-Ion Batteries Mario Ohlberger Stephan

  20. Metal-Air Batteries

    SciTech Connect (OSTI)

    Zhang, Jiguang; Bruce, Peter G.; Zhang, Gregory

    2011-08-01T23:59:59.000Z

    Metal-air batteries have much higher specific energies than most currently available primary and rechargeable batteries. Recent advances in electrode materials and electrolytes, as well as new designs on metal-air batteries, have attracted intensive effort in recent years, especially in the development of lithium-air batteries. The general principle in metal-air batteries will be reviewed in this chapter. The materials, preparation methods, and performances of metal-air batteries will be discussed. Two main metal-air batteries, Zn-air and Li-air batteries will be discussed in detail. Other type of metal-air batteries will also be described.

  1. Organics Verification Study for Sinclair and Dyes Inlets, Washington

    SciTech Connect (OSTI)

    Kohn, Nancy P.; Brandenberger, Jill M.; Niewolny, Laurie A.; Johnston, Robert K.

    2006-09-28T23:59:59.000Z

    Sinclair and Dyes Inlets near Bremerton, Washington, are on the State of Washington 1998 303(d) list of impaired waters because of fecal coliform contamination in marine water, metals in sediment and fish tissue, and organics in sediment and fish tissue. Because significant cleanup and source control activities have been conducted in the inlets since the data supporting the 1998 303(d) listings were collected, two verification studies were performed to address the 303(d) segments that were listed for metal and organic contaminants in marine sediment. The Metals Verification Study (MVS) was conducted in 2003; the final report, Metals Verification Study for Sinclair and Dyes Inlets, Washington, was published in March 2004 (Kohn et al. 2004). This report describes the Organics Verification Study that was conducted in 2005. The study approach was similar to the MVS in that many surface sediment samples were screened for the major classes of organic contaminants, and then the screening results and other available data were used to select a subset of samples for quantitative chemical analysis. Because the MVS was designed to obtain representative data on concentrations of contaminants in surface sediment throughout Sinclair Inlet, Dyes Inlet, Port Orchard Passage, and Rich Passage, aliquots of the 160 MVS sediment samples were used in the analysis for the Organics Verification Study. However, unlike metals screening methods, organics screening methods are not specific to individual organic compounds, and are not available for some target organics. Therefore, only the quantitative analytical results were used in the organics verification evaluation. The results of the Organics Verification Study showed that sediment quality outside of Sinclair Inlet is unlikely to be impaired because of organic contaminants. Similar to the results for metals, in Sinclair Inlet, the distribution of residual organic contaminants is generally limited to nearshore areas already within the actively managed Puget Sound Naval Shipyard and Intermediate Maintenance Facility Superfund Site, where further source-control actions and monitoring are under way.

  2. SOPA -A Self Organizing Processing and Streaming Architecture Gerald Friedland and Karl Pauls

    E-Print Network [OSTI]

    Rojas, Raúl

    . The goal is to provide an easy to use framework where dynamically organized processing graphs are build out is to provide an easy to use framework where dynamically organized processing graphs are build out of components and Internet streaming applications on either server and/or client side. On the server side (e.g., on a video

  3. Demand Response Valuation Frameworks Paper

    E-Print Network [OSTI]

    Heffner, Grayson

    2010-01-01T23:59:59.000Z

    37 3.8.1. Impacts of DR programs on Wholesale MarketPrice Response on Wholesale Markets.in Organized Wholesale Markets .19

  4. Intermediate connector for stacked organic light emitting devices

    DOE Patents [OSTI]

    D'Andrade, Brian

    2013-02-12T23:59:59.000Z

    A device is provided, having an anode, a cathode, and an intermediate connector disposed between the anode and the cathode. A first organic layer including an emissive sublayer is disposed between the anode and the intermediate connector, and a second including an emissive sublayer is disposed between the intermediate connector and the cathode. The intermediate connector includes a first metal having a work function lower than 4.0 eV and a second metal having a work function lower than 5.0 eV. The work function of the first metal is at least 0.5 eV less than the work function of the second metal. The first metal is in contact with a sublayer of the second organic layer that includes a material well adapted to receive holes from a low work function metal.

  5. UTS Policy Framework: Introduction 11.

    E-Print Network [OSTI]

    University of Technology, Sydney

    UTS Policy Framework: user guide Contents Introduction 11. TheroleofpolicywithintheUniversity 12 Policytemplate 64kbWord Directivetemplate 64kbWord Coversheets Coversheet--policies 48kbWord Coversheet--academicpolicies 48kbWord Coversheet--directives 48kbWord Policy Tools PolicyTool1:IssuesLog 60kbWord PolicyTool2

  6. Developing a Regional Recovery Framework

    SciTech Connect (OSTI)

    Lesperance, Ann M.; Olson, Jarrod; Stein, Steven L.; Clark, Rebecca; Kelly, Heather; Sheline, Jim; Tietje, Grant; Williamson, Mark; Woodcock, Jody

    2011-09-01T23:59:59.000Z

    Abstract A biological attack would present an unprecedented challenge for local, state, and federal agencies; the military; the private sector; and individuals on many fronts ranging from vaccination and treatment to prioritization of cleanup actions to waste disposal. To prepare the Seattle region to recover from a biological attack, the Seattle Urban Area Security Initiative (UASI) partners collaborated with military and federal agencies to develop a Regional Recovery Framework for a Biological Attack in the Seattle Urban Area. The goal was to reduce the time and resources required to recover and restore wide urban areas, military installations, and other critical infrastructure following a biological incident by providing a coordinated systems approach. Based on discussions in small workshops, tabletop exercises, and interviews with emergency response agency staff, the partners identified concepts of operation for various areas to address critical issues the region will face as recovery progresses. Key to this recovery is the recovery of the economy. Although the Framework is specific to a catastrophic, wide-area biological attack using anthrax, it was designed to be flexible and scalable so it could also serve as the recovery framework for an all-hazards approach. The Framework also served to coalesce policy questions that must be addressed for long-term recovery. These questions cover such areas as safety and health, security, financial management, waste management, legal issues, and economic development.

  7. Information Technology Security Assessment Framework

    E-Print Network [OSTI]

    Federal Information Technology Security Assessment Framework November 28, 2000 Prepared (NIST) Computer Security Division #12;Overview Information and the systems that process it are among and maintain a program to adequately secure its information and system assets. Agency programs must: 1) assure

  8. Metal phthalocyanine catalysts

    DOE Patents [OSTI]

    Ellis, Jr., Paul E. (Downingtown, PA); Lyons, James E. (Wallingford, PA)

    1994-01-01T23:59:59.000Z

    As a new composition of matter, alkali metal or ammonium or tetraalkylammonium diazidoperfluorophthalocyanatoferrate. Other embodiments of the invention comprise compositions wherein the metal of the coordination complex is cobalt, manganese and chromium.

  9. Liquid Metal Transformers

    E-Print Network [OSTI]

    Sheng, Lei; Liu, Jing

    2014-01-01T23:59:59.000Z

    The room temperature liquid metal is quickly emerging as an important functional material in a variety of areas like chip cooling, 3D printing or printed electronics etc. With diverse capabilities in electrical, thermal and flowing behaviors, such fluid owns many intriguing properties that had never been anticipated before. Here, we show a group of unconventional phenomena occurring on the liquid metal objects. Through applying electrical field on the liquid metals immersed in water, a series of complex transformation behaviors such as self-assembling of a sheet of liquid metal film into a single sphere, quick mergences of separate metal droplets, controlled self-rotation and planar locomotion of liquid metal objects can be realized. Meanwhile, it was also found that two accompanying water vortexes were induced and reliably swirled near the rotating liquid metal sphere. Further, effects of the shape, size, voltage, orientation and geometries of the electrodes to control the liquid metal transformers were clar...

  10. Upgrading of petroleum oil feedstocks using alkali metals and hydrocarbons

    DOE Patents [OSTI]

    Gordon, John Howard

    2014-09-09T23:59:59.000Z

    A method of upgrading an oil feedstock by removing heteroatoms and/or one or more heavy metals from the oil feedstock composition. This method reacts the oil feedstock with an alkali metal and an upgradant hydrocarbon. The alkali metal reacts with a portion of the heteroatoms and/or one or more heavy metals to form an inorganic phase separable from the organic oil feedstock material. The upgradant hydrocarbon bonds to the oil feedstock material and increases the number of carbon atoms in the product. This increase in the number of carbon atoms of the product increases the energy value of the resulting oil feedstock.

  11. Durable metallized polymer mirror

    DOE Patents [OSTI]

    Schissel, Paul O. (Golden, CO); Kennedy, Cheryl E. (Lafayette, CO); Jorgensen, Gary J. (Pine, CO); Shinton, Yvonne D. (Northglenn, CO); Goggin, Rita M. (Englewood, CO)

    1994-01-01T23:59:59.000Z

    A metallized polymer mirror construction having improved durability against delamination and tunneling, comprising: an outer layer of polymeric material; a metal oxide layer underlying the outer layer of polymeric material; a silver reflective layer underneath the metal oxide layer; and a layer of adhesive attaching the silver layer to a substrate.

  12. PHYTOEXTRACTION OF HEAVY METALS

    E-Print Network [OSTI]

    Blouin-Demers, Gabriel

    Plants Chelating agents Pb hyperaccumulation Effects of pH on metal extraction Disposal options contaminants from soils Contaminants must be in harvestable portions of the plant (Wongkongkatep et al. 2003) Chelating Agents: desorb heavy metals from soil matrix and form water-soluble metal complexes (Shen et al

  13. Durable metallized polymer mirror

    DOE Patents [OSTI]

    Schissel, P.O.; Kennedy, C.E.; Jorgensen, G.J.; Shinton, Y.D.; Goggin, R.M.

    1994-11-01T23:59:59.000Z

    A metallized polymer mirror construction is disclosed having improved durability against delamination and tunneling, comprising: an outer layer of polymeric material; a metal oxide layer underlying the outer layer of polymeric material; a silver reflective layer underneath the metal oxide layer; and a layer of adhesive attaching the silver layer to a substrate. 6 figs.

  14. Method for recovering metals from waste

    DOE Patents [OSTI]

    Wicks, G.G.; Clark, D.E.; Schulz, R.L.

    1998-12-01T23:59:59.000Z

    A method is described for recovering metals from metals-containing wastes, and vitrifying the remainder of the wastes for disposal. Metals-containing wastes such as circuit boards, cathode ray tubes, vacuum tubes, transistors and so forth, are broken up and placed in a suitable container. The container is heated by microwaves to a first temperature in the range of approximately 300--800 C to combust organic materials in the waste, then heated further to a second temperature in the range of approximately 1,000--1,550 C at which temperature glass formers present in the waste will cause it to melt and vitrify. Low-melting-point metals such as tin and aluminum can be recovered after organics combustion is substantially complete. Metals with higher melting points, such as gold, silver and copper, can be recovered from the solidified product or separated from the waste at their respective melting points. Network former-containing materials can be added at the start of the process to assist vitrification. 2 figs.

  15. Method for recovering metals from waste

    DOE Patents [OSTI]

    Wicks, George G. (North Augusta, SC); Clark, David E. (Gainesville, FL); Schulz, Rebecca L. (Gainesville, FL)

    2000-01-01T23:59:59.000Z

    A method for recovering metals from metals-containing wastes, and vitrifying the remainder of the wastes for disposal. Metals-containing wastes such as circuit boards, cathode ray tubes, vacuum tubes, transistors and so forth, are broken up and placed in a suitable container. The container is heated by microwaves to a first temperature in the range of approximately 300-800.degree. C. to combust organic materials in the waste, then heated further to a second temperature in the range of approximately 1,000-1,550.degree. C. at which temperature glass formers present in the waste will cause it to melt and vitrify. Low-melting-point metals such as tin and aluminum can be recovered after organics combustion is substantially complete. Metals with higher melting points, such as gold, silver and copper, can be recovered from the solidified product or separated from the waste at their respective melting points. Network former-containing materials can be added at the start of the process to assist vitrification.

  16. Reaction-Forming Method for Producing Near Net-Shape Refractory Metal Carbides

    DOE Patents [OSTI]

    Palmisiano, Marc N.; Jakubenas, Kevin J.; Baranwal, Rita

    2004-07-20T23:59:59.000Z

    A method for reaction forming refractory metal carbides. The method involves the fabrication of a glassy carbon preform by casting an organic, resin-based liquid mixture into a mold and subsequently heat treating it in two steps, which cures and pyrolizes the resin resulting in a porous carbon preform. By varying the amounts of the constituents in the organic, resin-based liquid mixture, control over the density of the carbon preform is obtained. Control of the density and microstructure of the carbon preform allows for determination of the microstructure and properties of the refractory metal carbide material produced. The glassy carbon preform is placed on a bed of refractory metal or refractory metal--silicon alloy. The pieces are heated above the melting point of the metal or alloy. The molten metal wicks inside the porous carbon preform and reacts, forming the refractory metal carbide or refractory metal carbide plus a minor secondary phase.

  17. Organizing Committee

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC)IntegratedSpeeding access toTest andOptimize carbon AboutOrganizing Committee

  18. Mechanically flexible organic electroluminescent device with directional light emission

    DOE Patents [OSTI]

    Duggal, Anil Raj; Shiang, Joseph John; Schaepkens, Marc

    2005-05-10T23:59:59.000Z

    A mechanically flexible and environmentally stable organic electroluminescent ("EL") device with directional light emission comprises an organic EL member disposed on a flexible substrate, a surface of which is coated with a multilayer barrier coating which includes at least one sublayer of a substantially transparent organic polymer and at least one sublayer of a substantially transparent inorganic material. The device includes a reflective metal layer disposed on the organic EL member opposite to the substrate. The reflective metal layer provides an increased external quantum efficiency of the device. The reflective metal layer and the multilayer barrier coating form a seal around the organic EL member to reduce the degradation of the device due to environmental elements.

  19. Ligand Intermediates in Metal-Catalyzed Reactions

    SciTech Connect (OSTI)

    Gladysz, John A.

    1999-07-31T23:59:59.000Z

    The longest-running goal of this project has been the synthesis, isolation, and physical chemical characterization of homogeneous transition metal complexes containing ligand types believed to be intermediates in the metal-catalyzed conversion of CO/H{sub 2}, CO{sub 2}, CH{sub 4}, and similar raw materials to organic fuels, feedstocks, etc. In the current project period, complexes that contain unusual new types of C{sub x}(carbide) and C{sub x}O{sub y} (carbon oxide) ligands have been emphasized. A new program in homogeneous fluorous phase catalysis has been launched as described in the final report.

  20. Liquid Metal Transformers

    E-Print Network [OSTI]

    Lei Sheng; Jie Zhang; Jing Liu

    2014-01-30T23:59:59.000Z

    The room temperature liquid metal is quickly emerging as an important functional material in a variety of areas like chip cooling, 3D printing or printed electronics etc. With diverse capabilities in electrical, thermal and flowing behaviors, such fluid owns many intriguing properties that had never been anticipated before. Here, we show a group of unconventional phenomena occurring on the liquid metal objects. Through applying electrical field on the liquid metals immersed in water, a series of complex transformation behaviors such as self-assembling of a sheet of liquid metal film into a single sphere, quick mergences of separate metal droplets, controlled self-rotation and planar locomotion of liquid metal objects can be realized. Meanwhile, it was also found that two accompanying water vortexes were induced and reliably swirled near the rotating liquid metal sphere. Further, effects of the shape, size, voltage, orientation and geometries of the electrodes to control the liquid metal transformers were clarified. Such events are hard to achieve otherwise on rigid metal or conventional liquid spheres. This finding has both fundamental and practical significances which suggest a generalized way of making smart soft machine, collecting discrete metal fluids, as well as flexibly manipulating liquid metal objects including accompanying devices.

  1. Extraction process for removing metallic impurities from alkalide metals

    DOE Patents [OSTI]

    Royer, Lamar T. (Knoxville, TN)

    1988-01-01T23:59:59.000Z

    A development is described for removing metallic impurities from alkali metals by employing an extraction process wherein the metallic impurities are extracted from a molten alkali metal into molten lithium metal due to the immiscibility of the alkali metals in lithium and the miscibility of the metallic contaminants or impurities in the lithium. The purified alkali metal may be readily separated from the contaminant-containing lithium metal by simple decanting due to the differences in densities and melting temperatures of the alkali metals as compared to lithium.

  2. From association to organization

    E-Print Network [OSTI]

    Mandler, George

    2011-01-01T23:59:59.000Z

    S.M. (1978). Organization theory and memory for prose: Aand summarize organization theory and relevant empiricalexplained in terms of organization theory. The hierarchical

  3. Organization Chart - Home

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

    LSD Logo About Us People & Organization Research News & Events Safety Internal Resources Organization Chart Departments Scientific Staff Directory Committees Organization Chart...

  4. Technology Enhanced Interaction Framework Kewalin Angkananon

    E-Print Network [OSTI]

    Technology Enhanced Interaction Framework Kewalin Angkananon ECS University of Southampton interaction framework to help design technology to support communication between people and improve interactions between people, technology and objects, particularly in complex situations. A review of existing

  5. Feature identification framework and applications (FIFA)

    E-Print Network [OSTI]

    Audenaert, Michael Neal

    2006-04-12T23:59:59.000Z

    collections that provides a general framework for applications while allowing decisions about the details of document representation and features identification to be deferred to domain specific implementations of that framework. These deferred decisions...

  6. Synthesizing framework uses from program behavior data

    E-Print Network [OSTI]

    Xu, Zhilei

    2011-01-01T23:59:59.000Z

    This thesis presents MATCHMAKER, a new synthesis tool that aims to help programmers use software frameworks by synthesizing source code needed to interact with the framework. Software engineers of today are constantly faced ...

  7. Business Finder a tool for regional networking among organizations

    E-Print Network [OSTI]

    are Silicon Valley for IT, Hollywood for movie production or the Ruhr Area in Germany for metal.reichling, benjamin.moos, volker.wulf}@uni-siegen.de Abstract Networks of organizations improve the competitiveness of its member companies. Computer applications can make the competencies of organizations more visible

  8. Catalyzed Nano-Framework Stablized High Density Reversible Hydrogen Storage Systems

    SciTech Connect (OSTI)

    Xia Tang , Susanne M. Opalka , Daniel A. Mosher, Bruce L. Laube, Ronald J. Brown, Thomas H. Vanderspurt, Sarah Arsenault, Robert Wu, Jamie Strickler, Ewa. Ronnebro, Tim. Boyle and Joseph Cordaro

    2010-06-30T23:59:59.000Z

    A wide range of high capacity on-board rechargeable material candidates have exhibited non-ideal behavior related to irreversible hydrogen discharge / recharge behavior, and kinetic instability or retardation. This project addresses these issues by incorporating solvated and other forms of complex metal hydrides, with an emphasis on borohydrides, into nano-scale frameworks of low density, high surface area skeleton materials to stabilize, catalyze, and control desorption product formation associated with such complex metal hydrides. A variety of framework chemistries and hydride / framework combinations were investigated to make a relatively broad assessment of the method'Â?s potential. In this project, the hydride / framework interactions were tuned to decrease desorption temperatures for highly stable compounds or increase desorption temperatures for unstable high capacity compounds, and to influence desorption product formation for improved reversibility. First principle modeling was used to explore heterogeneous catalysis of hydride reversibility by modeling H{sub 2} dissociation, hydrogen migration, and rehydrogenation. Atomic modeling also demonstrated enhanced NaTi(BH{sub 4}){sub 4} stabilization at nano-framework surfaces modified with multi-functional agents. Amine multi-functional agents were found to have more balanced interactions with nano-framework and hydride clusters than other functional groups investigated. Experimentation demonstrated that incorporation of Ca(BH{sub 4}){sub 2} and Mg(BH{sub 4}){sub 2} in aerogels enhanced hydride desorption kinetics. Carbon aerogels were identified as the most suitable nano-frameworks for hydride kinetic enhancement and high hydride loading. High loading of NaTi(BH{sub 4}){sub 4} ligand complex in SiO{sub 2} aerogel was achieved and hydride stability was improved with the aerogel. Although improvements of desorption kinetics was observed, the incorporation of Ca(BH{sub 4}){sub 2} and Mg(BH{sub 4}){sub 2} in nano-frameworks did not improve their H{sub 2} absorption due to the formation of stable alkaline earth B12H12 intermediates upon rehydrogenation. This project primarily investigated the effect of nano-framework surface chemistry on hydride properties, while the effect of pore size is the focus area of other efforts (e.g., HRL, Sandia National Laboratories (SNL) etc.) within the Metal Hydride Center of Excellence (MHCoE). The projects were complementary in gaining an overall understanding of the influence of nano-frameworks on hydride behavior.

  9. Metal atomization spray nozzle

    DOE Patents [OSTI]

    Huxford, T.J.

    1993-11-16T23:59:59.000Z

    A spray nozzle for a magnetohydrodynamic atomization apparatus has a feed passage for molten metal and a pair of spray electrodes mounted in the feed passage. The electrodes, diverging surfaces which define a nozzle throat and diverge at an acute angle from the throat. Current passes through molten metal when fed through the throat which creates the Lorentz force necessary to provide atomization of the molten metal. 6 figures.

  10. Framework for SCADA Security Policy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your Density Isn't YourTransport inEnergy0.pdf Flash2010-60.pdf2 DOE March, 2015 TechnologyFramework for SCADA

  11. Synthesis and Properties of Nano Zeolitic Imidazolate Frameworks...

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

    Properties of Nano Zeolitic Imidazolate Frameworks. Synthesis and Properties of Nano Zeolitic Imidazolate Frameworks. Abstract: Nano sized zeolitic imidazolate frameworks nZIF-8...

  12. Tidal Downsizing model. II. Planet-metallicity correlations

    E-Print Network [OSTI]

    Nayakshin, Sergei

    2015-01-01T23:59:59.000Z

    Core Accretion (CA), the de-facto accepted theory of planet formation, requires formation of massive solid cores as a prerequisite for assembly of gas giant planets. The observed metallicity correlations of exoplanets are puzzling in the context of CA. While gas giant planets are found preferentially around metal-rich host stars, planets smaller than Neptune orbit hosts with a wide range of metallicities. We propose an alternative interpretation of these observations in the framework of a recently developed planet formation hypothesis called Tidal Downsizing (TD). We perform population synthesis calculations based on TD, and find that the connection between the populations of the gas giant and the smaller solid-core dominated planets is non linear and not even monotonic. While gas giant planets formed in the simulations in the inner few AU region follow a strong positive correlation with the host star metallicity, the smaller planets do not. The simulated population of these smaller planets shows a shallow pe...

  13. Method for hydrogen production and metal winning, and a catalyst/cocatalyst composition useful therefor

    DOE Patents [OSTI]

    Dhooge, Patrick M. (Corrales, NM)

    1987-10-13T23:59:59.000Z

    A catalyst/cocatalyst/organics composition of matter is useful in electrolytically producing hydrogen or electrowinning metals. Use of the catalyst/cocatalyst/organics composition causes the anode potential and the energy required for the reaction to decrease. An electrolyte, including the catalyst/cocatalyst composition, and a reaction medium composition further including organic material are also described.

  14. Metal behavior during fluidized bed thermal treatment of soil

    SciTech Connect (OSTI)

    Ho, T.C.; Lee, H.T.; Shiao, C.C.; Hopper, J.R. [Lamar Univ., Beaumont, TX (United States). Dept. of Chemical Engineering] [Lamar Univ., Beaumont, TX (United States). Dept. of Chemical Engineering; Bostick, W.D. [Martin Marietta Energy Systems, Inc., Oak Ridge, TN (United States). Chemistry Dept.] [Martin Marietta Energy Systems, Inc., Oak Ridge, TN (United States). Chemistry Dept.

    1995-12-31T23:59:59.000Z

    The Superfund dumpsites are frequently composed of soils contaminated with hazardous organic constituents and toxic heavy metals. While thermal treatment is an effective method of remediating the contaminated soils, the major environmental concerns are the emissions of toxic metal fumes during the treatment and the leaching of metals from the treated soil. The US EPA has reported that metals can account for almost all of the identified cancer risks from waste incineration systems. Research leading to better understanding of their behavior and better controlling of their emissions is urgently needed. In this study, the behavior of metals during the fluidized bed thermal treatment of artificially prepared metal-contaminated clay was experimentally and theoretically investigated. The objective of the study was to evaluate the effects of operating conditions on metal volatilization and metal leachability associated with the process. Metal experiments were carried out in a well instrumented 76 mm (3 inch) i.d. fluidized bed incinerator. The metals involved were compounds of lead and cadmium and the operating parameters included metal concentration, air flow rate, treatment temperature and treatment duration. The observed results indicated that metal volatilization is mainly a function of treatment temperature and treatment duration. The degree of volatilization was observed to range from 5 to 40% depending on the operating conditions. Cadmium leachability was observed to be relatively high compared to that of lead. In addition to the experimental study, a theoretical model based on the laws of heat and mass transfer operations and reaction kinetics was derived to simulate the metal volatilization process. The derived model was found to predict reasonably well the experimental observations.

  15. Heavy Metal Humor: Reconsidering Carnival in Heavy Metal Culture

    E-Print Network [OSTI]

    Powell, Gary Botts

    2013-06-05T23:59:59.000Z

    This thesis considers Bakhtin?s carnivalesque theory by analyzing comedic rhetoric performed by two comedic metal bands. Through the theories of Johan Huizinga and Mikhail Bakhtin, Chapter I: I Play Metal argues that heavy metal culture is a modern...

  16. 1Plastic deformation and fracture processes in metallic and ceramic nanomaterials... 2007 Advanced Study Center Co. Ltd.

    E-Print Network [OSTI]

    Ovid'ko Ilya A.

    1Plastic deformation and fracture processes in metallic and ceramic nanomaterials... © 2007-mail: ovidko@def.ipme.ru PLASTIC DEFORMATION AND FRACTURE PROCESSES IN METALLIC AND CERAMIC NANOMATERIALS at the boundaries between the large grains and nanoscale matrix. In the framework of the model, cracks are generated

  17. A Calcium Coordination Framework Having Permanent Porosity and High CO2/N2 Selectivity

    SciTech Connect (OSTI)

    Banerjee D.; Parise J.; Zhang, Z.; Plonka, A.M.; Li, J.

    2012-03-15T23:59:59.000Z

    A thermally stable, microporous calcium coordination network shows a reversible 5.75 wt % CO{sub 2} uptake at 273 K and 1 atm pressure, with an enthalpy of interaction of {approx}31 kJ/mol and a CO{sub 2}/N{sub 2} selectivity over 45 under ideal flue gas conditions. The absence of open metal sites in the activated material suggests a different mechanism for selectivity and high interaction energy compared to those for frameworks with open metal sites.

  18. Transition Metal Dopants Essential for Producing Ferromagnetism...

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

    Metal Dopants Essential for Producing Ferromagnetism in Metal Oxide Nanoparticles. Transition Metal Dopants Essential for Producing Ferromagnetism in Metal Oxide Nanoparticles....

  19. Metal roofing Shingle roofing

    E-Print Network [OSTI]

    Hutcheon, James M.

    Metal roofing panel Shingle roofing Water & ice barrier Thermal Barrier Plywood Student: Arpit between the roof and the attic. · Apply modifications to traditional roofing assembly and roofing roof with only a water barrier between the plywood and the roofing panels. Metal roofing panel Shingle

  20. Porous metallic bodies

    DOE Patents [OSTI]

    Landingham, R.L.

    1984-03-13T23:59:59.000Z

    Porous metallic bodies having a substantially uniform pore size of less than about 200 microns and a density of less than about 25 percent theoretical, as well as the method for making them, are disclosed. Group IIA, IIIB, IVB, VB, and rare earth metal hydrides a

  1. Production of magnesium metal

    DOE Patents [OSTI]

    Blencoe, James G. (Harriman, TN) [Harriman, TN; Anovitz, Lawrence M. (Knoxville, TN) [Knoxville, TN; Palmer, Donald A. (Oliver Springs, TN) [Oliver Springs, TN; Beard, James S. (Martinsville, VA) [Martinsville, VA

    2010-02-23T23:59:59.000Z

    A process of producing magnesium metal includes providing magnesium carbonate, and reacting the magnesium carbonate to produce a magnesium-containing compound and carbon dioxide. The magnesium-containing compound is reacted to produce magnesium metal. The carbon dioxide is used as a reactant in a second process. In another embodiment of the process, a magnesium silicate is reacted with a caustic material to produce magnesium hydroxide. The magnesium hydroxide is reacted with a source of carbon dioxide to produce magnesium carbonate. The magnesium carbonate is reacted to produce a magnesium-containing compound and carbon dioxide. The magnesium-containing compound is reacted to produce magnesium metal. The invention further relates to a process for production of magnesium metal or a magnesium compound where an external source of carbon dioxide is not used in any of the reactions of the process. The invention also relates to the magnesium metal produced by the processes described herein.

  2. A Holistic Framework for Environmental Flows Determination in Hydropower Contexts

    SciTech Connect (OSTI)

    McManamay, Ryan A [ORNL; Bevelhimer, Mark S [ORNL

    2013-05-01T23:59:59.000Z

    Among the ecological science community, the consensus view is that the natural flow regime sustains the ecological integrity of river systems. This prevailing viewpoint by many environmental stakeholders has progressively led to increased pressure on hydropower dam owners to change plant operations to affect downstream river flows with the intention of providing better conditions for aquatic biological communities. Identifying the neccessary magnitude, frequency, duration, timing, or rate of change of stream flows to meet ecological needs in a hydropower context is challenging because the ecological responses to changes in flows may not be fully known, there are usually a multitude of competing users of flow, and implementing environmental flows usually comes at a price to energy production. Realistically, hydropower managers must develop a reduced set of goals that provide the most benefit to the identified ecological needs. As a part of the Department of Energy (DOE) Water Power Program, the Instream Flow Project (IFP) was carried out by Oak Ridge National Laboratory (ORNL), Pacific Northwest National Laboratory (PNNL), and Argon National Laboratory (ANL) as an attempt to develop tools aimed at defining environmental flow needs for hydropower operations. The application of these tools ranges from national to site-specific scales; thus, the utility of each tool will depend on various phases of the environmental flow process. Given the complexity and sheer volume of applications used to determine environmentally acceptable flows for hydropower, a framework is needed to organize efforts into a staged process dependent upon spatial, temporal, and functional attributes. By far, the predominant domain for determining environmental flows related to hydropower is within the Federal Energy Regulatory Commission (FERC) relicensing process. This process can take multiple years and can be very expensive depending on the scale of each hydropower project. The utility of such a framework is that it can expedite the environmental flow process by 1) organizing data and applications to identify predictable relationships between flows and ecology, and 2) suggesting when and where tools should be used in the environmental flow process. In addition to regulatory procedures, a framework should also provide the coordination for a comprehensive research agenda to guide the science of environmental flows. This research program has further reaching benefits than just environmental flow determination by providing modeling applications, data, and geospatial layers to inform potential hydropower development. We address several objectives within this document that highlight the limitations of existing environmental flow paradigms and their applications to hydropower while presenting a new framework catered towards hydropower needs. Herein, we address the following objectives: 1) Provide a brief overview of the Natural Flow Regime paradigm and existing environmental flow frameworks that have been used to determine ecologically sensitive stream flows for hydropower operations. 2) Describe a new conceptual framework to aid in determining flows needed to meet ecological objectives with regard to hydropower operations. The framework is centralized around determining predictable relationships between flow and ecological responses. 3) Provide evidence of how efforts from ORNL, PNNL, and ANL have filled some of the gaps in this broader framework, and suggest how the framework can be used to set the stage for a research agenda for environmental flow.

  3. Solid materials for removing metals and fabrication method

    DOE Patents [OSTI]

    Coronado, Paul R.; Reynolds, John G.; Coleman, Sabre J.

    2004-10-19T23:59:59.000Z

    Solid materials have been developed to remove contaminating metals and organic compounds from aqueous media. The contaminants are removed by passing the aqueous phase through the solid materials which can be in molded, granular, or powder form. The solid materials adsorb the metals and the organics leaving a purified aqueous stream. The materials are sol-gel and or sol-gel and granulated activated carbon (GAC) mixtures. The species-specific adsorption occurs through specific chemical modifications of the solids tailored towards the contaminant(s). The contaminated solid materials can then be disposed of or the contaminant can be removed and the solids recycled.

  4. Development of transitional metal-catalyzed reactions for organic synthesis

    E-Print Network [OSTI]

    Rainka, Matthew P. (Matthew Paul)

    2005-01-01T23:59:59.000Z

    Chapter 1. A general catalyst system for the synthesis of tetra-ortho-substituted biaryls via the Suzuki-Miyaura cross-coupling reaction is described. It was found that the most efficient catalyst system is based on a ...

  5. Sandia National Laboratories: metal organic chemical vapor deposition

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

    Partnership, Research & Capabilities, Solid-State Lighting Solid state lighting (SSL), which uses light-emitting diodes (LEDs), has the potential to be 10 times more energy...

  6. High Throughput Combinatorial Screening of Biometic Metal-Organic...

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

    - 50 cm -1 ) red-shifts upon adsorption *Can be complex, depending on exact adsorption environment *Partial charge transfer weakens H-H bond, red-shift *Are such strong...

  7. Chemistry and Applications of Metal-Organic Materials

    E-Print Network [OSTI]

    Zhao, Dan

    2012-02-14T23:59:59.000Z

    ) and applicable pressure (less than 100 atm). Note that these are the goals for the system including container and any necessary accessories, the hydrogen storage capacity of the material itself should be even higher. A safe and effective hydrogen storage.... In solid-state storage systems, a hydrogen atom/molecule either forms a strong chemical bond to a solid support (chemisorption) or interacts weakly with a sorbent (physisorption). In chemisorption, dihydrogen molecules split into hydrogen atoms upon...

  8. Microporous Materials Strategies for Hydrogen Storage in MetalOrganic

    E-Print Network [OSTI]

    Yaghi, Omar M.

    efficiency fuel-cell power sources. The vehicles should have a similar range (480 km or 300 miles), operate times the gravimetric energy density of petrol, and fuel cells are expected to perform at least twice at improving hydrogen uptake in these materials is presented. These strategies include the optimization of pore

  9. Surface functionalization of metal-organic polyhedron for homogeneous

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearch >Internship Program The NIF and Photon Science|StoriesTechnologies

  10. Azobenzene-Functionalized Metal-Organic Polyhedra for the Optically

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItem NotEnergy,ARMForms About BecomeTechnologiesVehicleAuthorAwards R&D 100

  11. Biomimicry in metal-organic materials | Center for Gas

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItem NotEnergy,ARMForms About Batteries Batteries An errorA MostbioSeparationsRelevant to

  12. Development of New Biphasic Metal Organic Working Fluids for Subcritical

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand JumpConceptual Model,DOE Facility DatabaseMichigan: EnergyKansas:DetroitOpenSystem

  13. Metal Organic Clathrates for Carbon Dioxide Removal - Energy Innovation

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville PowerCherries 82981-1cnHighand Retrievals from aRod EggertMercuryAdvanced MaterialsPortal

  14. High Throughput Combinatorial Screening of Biometic Metal-Organic Materials

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels DataDepartment of Energy Your Density Isn't YourTransport(Fact Sheet), GeothermalGridHYDROGEND D e e p p a a r r t t m m e efor Military

  15. TransDec: A Data-Driven Framework for Decision-Making in Transportation Systems

    E-Print Network [OSTI]

    Shahabi, Cyrus

    Transportation Systems). The RIITS dataset is collected by various organizations based in Los Angeles County1 TransDec: A Data-Driven Framework for Decision-Making in Transportation Systems Ugur Demiryurek Los Angeles, CA 90089-0781 [demiryur, banaeika, shahabi]@usc.edu ABSTRACT In this paper, we present

  16. A Framework for the Management of Information Security Jussipekka Leiwo, Chandana Gamage and Yuliang Zheng

    E-Print Network [OSTI]

    Zheng, Yuliang

    A Framework for the Management of Information Security Jussipekka Leiwo, Chandana Gamage,chandag,yuliangg@fcit.monash.edu.au Abstract Information security is based on access control models and cryptographic techniques of comprehensive information security within organizations. There is a need to study upper level issues

  17. Towards an Automatic Metadata Management Framework for Smart Oil Charalampos Chelmis1

    E-Print Network [OSTI]

    Prasanna, Viktor K.

    . Introduction Oil and gas organizations are in continuous pressure to investigate and employ innovativeTowards an Automatic Metadata Management Framework for Smart Oil Fields Charalampos Chelmis1 , Jing in various analysis, prediction and domain-specific procedures that result in even larger volumes of derived

  18. Preparation of uniform nanoparticles of ultra-high purity metal oxides, mixed metal oxides, metals, and metal alloys

    DOE Patents [OSTI]

    Woodfield, Brian F.; Liu, Shengfeng; Boerio-Goates, Juliana; Liu, Qingyuan; Smith, Stacey Janel

    2012-07-03T23:59:59.000Z

    In preferred embodiments, metal nanoparticles, mixed-metal (alloy) nanoparticles, metal oxide nanoparticles and mixed-metal oxide nanoparticles are provided. According to embodiments, the nanoparticles may possess narrow size distributions and high purities. In certain preferred embodiments, methods of preparing metal nanoparticles, mixed-metal nanoparticles, metal oxide nanoparticles and mixed-metal nanoparticles are provided. These methods may provide tight control of particle size, size distribution, and oxidation state. Other preferred embodiments relate to a precursor material that may be used to form nanoparticles. In addition, products prepared from such nanoparticles are disclosed.

  19. Heavy metal geochemistry of the Pontchartrain-Maurepas estuarine complex

    SciTech Connect (OSTI)

    Flowers, G.C. (Tulane Univ., New Orleans, LA (USA)); Isphording, W.C. (Univ. of South Alabama, Mobile (USA))

    1990-09-01T23:59:59.000Z

    The Pontchartrain-Maurepas estuarine complex has become the focus of an intense debate concerning hydraulic shell dredging and its effects. Besides disrupting the benthic community, it has been alleged by the opponents of shell dredging that the mining process releases harmful concentrations of heavy metals into the water column. Bottom sediment heavy metal data combined with ion-site partitioning analyses provide a basis for estimating heavy metal release during dredging. The concentrations of Cu, Cr, Ni, Fe, Zn, V, Co, Pb, and Ba were determined for bottom sediment samples collected during 1987. The areal distribution of metals in the complex is controlled largely by sediment texture. As the clay content of the sediment increases, so does metal content. This observation seems to hold for most estuaries along the northern Gulf of Mexico. The concentrations of all metals except Pb were found to be positively correlated with Fe-content. Comparison of average metal contents with data from other estuaries along the Gulf Coast indicates that the complex has not been heavily impacted by anthropogenic input of metals. Because dredging disrupts redox conditions in the sediment, the potential release of metals into the water column is a real concern. However, partitioning analyses indicate that the majority of metal present in the bottom sediments is in relatively stable phases. The metal content of the exchangeable and organic phases, which are most easily affected by redox changes, was found to be minor. The rapid process of hydraulic shell mining, the positive Eh of the lake water, and the fine-grained suspended sediments result in a minor impact of dredging on water quality. Released metals are rapidly scavenged by adsorption and coprecipitation reactions.

  20. Developpement WebFrameworks AJAX Developpement Web

    E-Print Network [OSTI]

    Richer, Jean-Michel

    D´eveloppement WebFrameworks AJAX D´eveloppement Web Frameworks AJAX Jean-Michel Richer jean-michel.richer@univ-angers.fr http://www.info.univ-angers.fr/pub/richer 2009 1 / 27 #12;D´eveloppement WebFrameworks AJAX Objectif d´eveloppement Web et augmenter l'interactivit´e avec l'utilisateur 2 / 27 #12;D´eveloppement Web