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. & MetalOrganic Frameworks Enhancing CO2 Separation Ability of a MetalOrganic Framework

    E-Print Network [OSTI]

    Paik Suh, Myunghyun

    that it is a promising material for sequestering CO2 from landfill gas. Introduction Metal­organic frameworks have been considered as promising materials for separating CO2 from landfill gas and industrial flue gas due

  4. 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,...

  5. 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.

  6. 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.

  7. 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-}.

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

    E-Print Network [OSTI]

    Metal-Organic Frameworks DOI: 10.1002/anie.201107534 High Propene/Propane Selectivity to their modular, tailorable structures, as well as their potential in applications such as gas storage[2 storage,[4] CO2 capture,[5] and CO2 separations.[6] Propene is an important commercial petrochemical

  9. 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.

  10. Microporous Metal-Organic Frameworks Incorporating 1,4-Benzeneditetrazolate: Syntheses, Structures, and

    E-Print Network [OSTI]

    @berkeley.edu Abstract: The potential of tetrazolate-based ligands for forming metal-organic frameworks of utility

  11. 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.

  12. 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

    : Chemistry iii ABSTRACT Ligand Design for Novel Metal-Organic Polyhedra and Metal-Organic Frameworks for Alternative Energy Applications. (August 2010) Ryan John Kuppler, B.A., Miami University Chair of Advisory Committee: Dr. Hong-Cai Zhou... The primary goal of this research concerns the synthesis of organic ligands in an effort to create metal-organic porous materials for the storage of gas molecules for alternative energy applications as well as other applications such as catalysis, molecular...

  13. 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.

  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

    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.

  15. 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

    The self-assembly of metal ions and organic linkers could afford 3-dimensional (3D) porous metal-organic frameworks (MOFs). They are promising materials for clean energy applications including carbon capture, hydrogen storage and methane storage...

  16. 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

    Metal-organic frameworks (MOFs) are hybrid organic-inorganic micro- or mesoporous materials that exhibit regular crystalline lattices with rigid pore structures. Chemical functionalization of the organic linkers in the structures of MOFs affords...

  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. Defining the Proton Topology of the Zr6Based Metal-Organic Framework NU-1000

    E-Print Network [OSTI]

    ,16-19 heavy metal capture,20,21 sensing,12 ionic conductivity,22 toxic industrial chemical capture,23Defining the Proton Topology of the Zr6Based Metal-Organic Framework NU-1000 Nora Planas,, Joseph E of Science, King Abdulaziz University, Jeddah, Saudi Arabia *S Supporting Information ABSTRACT: Metal

  19. High Charge Mobility in a Tetrathiafulvalene-Based Microporous Metal–Organic Framework

    E-Print Network [OSTI]

    Narayan, Tarun Chandru

    The tetratopic ligand tetrathiafulvalene-tetrabenzoate (H[subscript 4]TTFTB) is used to synthesize Zn[subscript 2](TTFTB), a new metal–organic framework that contains columnar stacks of tetrathiafulvalene and benzoate-lined ...

  20. Cation exchange at the secondary building units of metal–organic frameworks

    E-Print Network [OSTI]

    Brozek, Carl Kavanaugh

    Cation exchange is an emerging synthetic route for modifying the secondary building units (SBUs) of metal–organic frameworks (MOFs). This technique has been used extensively to enhance the properties of nanocrystals and ...

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

    E-Print Network [OSTI]

    Yakovenko, Andrey A.

    2013-04-18T23:59:59.000Z

    Synthesis of polycrystalline, vs. single-crystalline porous materials, such as metal-organic frameworks (MOFs), is usually beneficial due to shorter synthetic time and higher yields. However, the structural characterization of these materials by X...

  2. 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.

  3. 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 ...

  4. 3D Metal-Organic Frameworks Based on Elongated Tetracarboxylate Building Blocks for Hydrogen Storage

    E-Print Network [OSTI]

    Li, Jing

    3D Metal-Organic Frameworks Based on Elongated Tetracarboxylate Building Blocks for Hydrogen Storage Liqing Ma, Jeong Yong Lee, Jing Li, and Wenbin Lin*, Department of Chemistry, CB#3290, Uni. The porosity and hydrogen uptake of the frameworks were determined by gas adsorption experiments. A wide range

  5. Highly efficient separation of carbon dioxide by a metal-organic framework replete with

    E-Print Network [OSTI]

    Yaghi, Omar M.

    Highly efficient separation of carbon dioxide by a metal-organic framework replete with open metal capture of CO2, which is essential for natural gas purifi- cation and CO2 sequestration, has been reported media. carbon dioxide capture dynamic adsorption reticular chemistry Selective removal of CO2 from

  6. Synthesis, Structure, and Metalation of Two New Highly Porous Zirconium Metal?Organic Frameworks

    SciTech Connect (OSTI)

    Morris, William; Volosskiy, Boris; Demir, Selcuk; Gándara, Felipe; McGrier, Psaras L.; Furukawa, Hiroyasu; Cascio, Duilio; Stoddart, J. Fraser; Yaghi, Omar M. (UCLA); (NWU)

    2012-10-24T23:59:59.000Z

    Three new metal-organic frameworks [MOF-525, Zr{sub 6}O{sub 4}(OH){sub 4}(TCPP-H{sub 2}){sub 3}; MOF-535, Zr{sub 6}O{sub 4}(OH){sub 4}(XF){sub 3}; MOF-545, Zr{sub 6}O{sub 8}(H{sub 2}O){sub 8}(TCPP-H{sub 2}){sub 2}, where porphyrin H{sub 4}-TCPP-H{sub 2} = (C{sub 48}H{sub 24}O{sub 8}N{sub 4}) and cruciform H{sub 4}-XF = (C{sub 42}O{sub 8}H{sub 22})] based on two new topologies, ftw and csq, have been synthesized and structurally characterized. MOF-525 and -535 are composed of Zr{sub 6}O{sub 4}(OH){sub 4} cuboctahedral units linked by either porphyrin (MOF-525) or cruciform (MOF-535). Another zirconium-containing unit, Zr{sub 6}O{sub 8}(H{sub 2}O){sub 8}, is linked by porphyrin to give the MOF-545 structure. The structure of MOF-525 was obtained by analysis of powder X-ray diffraction data. The structures of MOF-535 and -545 were resolved from synchrotron single-crystal data. MOF-525, -535, and -545 have Brunauer-Emmett-Teller surface areas of 2620, 1120, and 2260 m{sup 2}/g, respectively. In addition to their large surface areas, both porphyrin-containing MOFs are exceptionally chemically stable, maintaining their structures under aqueous and organic conditions. MOF-525 and -545 were metalated with iron(III) and copper(II) to yield the metalated analogues without losing their high surface area and chemical stability.

  7. 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

  8. 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...

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

    E-Print Network [OSTI]

    & Surface Chemistry Water-Stable Zirconium-Based Metal­Organic Framework Material with High candidates as replacements for gasoline (petrol). However, their compact storage in molecular form, es Department of Chemistry and International Institute for Nanotechnology Northwestern University, 2145 Sheridan

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

    E-Print Network [OSTI]

    Reversible Electrochromism Chung-Wei Kung, Timothy Chiaan Wang, Joseph E. Mondloch, David Fairen electrochromic switching between yellow and deep blue by means of a one-electron redox reaction at its pyrene and rapid switching rate. KEYWORDS: electrochromism, metal-organic frameworks, one-dimensional nanorods

  11. 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

  12. 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

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

    E-Print Network [OSTI]

    Cafarella, Michael J.

    technologies has highlighted the need for high- density energy storage.1 In the case of fuel cell vehicles (FCVTheoretical Limits of Hydrogen Storage in Metal-Organic Frameworks: Opportunities and Trade predict the hydrogen storage properties of these compounds. Approximately 20 000 candidate compounds were

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

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest Regionat Cornell Batteries & Fuel Cells In ThisMetalCenter for

  15. Metal-Organic Frameworks as Biomimetic Catalysts | 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest Regionat Cornell Batteries & Fuel Cells In ThisMetalCenter

  16. 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.

  17. 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 ...

  18. 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...

  19. Published on Web 12/23/2007 Matrix Isolation Chemistry in a Porous Metal-Organic Framework

    E-Print Network [OSTI]

    Published on Web 12/23/2007 Matrix Isolation Chemistry in a Porous Metal-Organic Framework, during which time the colorless solid turned dark red, indicating the attachment of Cr(CO)3 units. Upon

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. Collaborative Triple Framework Interpenetration and Immobilization of Open Metal Sites within a Microporous Mixed Metal-Organic Framework for Highly Selective Gas Adsorption

    SciTech Connect (OSTI)

    Zhang, Zhangjing [University of Texas at San Antonio (UTSA); Xiang, Sheng-Chang [University of Texas at San Antonio (UTSA); Hong, Kunlun [ORNL; Das, Madhab [University of Texas at San Antonio (UTSA); Arman, Hadi [University of Texas at San Antonio (UTSA); Garcia, Maya [University of Texas, Pan American, Edinburg, TX; Mondal, Jalal [University of Texas, Pan American, Edinburg, TX; Chen, Banglin [University of Texas at San Antonio (UTSA)

    2012-01-01T23:59:59.000Z

    A three-dimensional triply interpenetrated mixed metal-organic framework, Zn{sub 2}(BBA){sub 2}(CuPyen) {center_dot} G{sub x} (M'MOF-20; BBA = biphenyl-4,4'-dicarboxylate; G = guest solvent molecules), of primitive cubic net was obtained through the solvothermal reaction of Zn(NO{sub 3}){sub 2}, biphenyl-4,4'-dicarboxylic acid, and the salen precursor Cu(PyenH{sub 2})(NO{sub 3}){sub 2} by a metallo-ligand approach. The triple framework interpenetration has stabilized the framework in which the activated M'MOF-20a displays type-I N{sub 2} gas sorption behavior with a Langmuir surface area of 62 m{sup 2} g{sup -1}. The narrow pores of about 3.9 {angstrom} and the open metal sites on the pore surfaces within M'MOF-20a collaboratively induce its highly selective C{sub 2}H{sub 2}/CH{sub 4} and CO{sub 2}/CH{sub 4} gas separation at ambient temperature.

  7. 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.

  8. 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:

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

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

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  10. 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.

  11. 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. Sankar,§ and J. Karl Johnson*,,| Department of Chemical Engineering, UniVersity of Pittsburgh, Pittsburgh: NoVember 29, 2007 We have experimentally measured hydrogen isotherms at 77 and 298 K up to a hydrogen

  12. 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

  13. 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

    of their synthesis and the variety of their potential applications. IRMOFs are a specific series of metal-organic frameworks developed by Yaghi and his coworkers. All IRMOFs are composed of oxygen-centered Zn4O tetrahedra interconnected with dicarboxylate linkers...

  14. 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.

  15. Stress-induced chemical detection using flexible metal-organic frameworks.

    SciTech Connect (OSTI)

    Allendorf, Mark D.; Hesketh, Peter J. (Georgia Institute of Technology, Atlanta, GA); Gall, Kenneth A. (Georgia Institute of Technology, Atlanta, GA); Choudhury, A. (Georgia Institute of Technology, Atlanta, GA); Pikarsky, J. (Georgia Institute of Technology, Atlanta, GA); Andruszkiewicz, Leanne (Georgia Institute of Technology, Atlanta, GA); Houk, Ronald J. T.; Talin, Albert Alec (National Institute of Standards & Technology, Gaithersburg, MD)

    2009-09-01T23:59:59.000Z

    In this work we demonstrate the concept of stress-induced chemical detection using metal-organic frameworks (MOFs) by integrating a thin film of the MOF HKUST-1 with a microcantilever surface. The results show that the energy of molecular adsorption, which causes slight distortions in the MOF crystal structure, can be efficiently converted to mechanical energy to create a highly responsive, reversible, and selective sensor. This sensor responds to water, methanol, and ethanol vapors, but yields no response to either N{sub 2} or O{sub 2}. The magnitude of the signal, which is measured by a built-in piezoresistor, is correlated with the concentration and can be fitted to a Langmuir isotherm. Furthermore, we show that the hydration state of the MOF layer can be used to impart selectivity to CO{sub 2}. We also report the first use of surface-enhanced Raman spectroscopy to characterize the structure of a MOF film. We conclude that the synthetic versatility of these nanoporous materials holds great promise for creating recognition chemistries to enable selective detection of a wide range of analytes. A force field model is described that successfully predicts changes in MOF properties and the uptake of gases. This model is used to predict adsorption isotherms for a number of representative compounds, including explosives, nerve agents, volatile organic compounds, and polyaromatic hydrocarbons. The results show that, as a result of relatively large heats of adsorption (> 20 kcal mol{sup -1}) in most cases, we expect an onset of adsorption by MOF as low as 10{sup -6} kPa, suggesting the potential to detect compounds such as RDX at levels as low as 10 ppb at atmospheric pressure.

  16. Development and Test Evaluations for Ni-DOBDC Metal Organic Framework (MOF) Engineered Forms

    SciTech Connect (OSTI)

    Troy G. Garn; Mitchell Greenhalgh

    2013-07-01T23:59:59.000Z

    A joint effort to prepare engineered forms of a Ni-DOBDC metal organic framework (MOF) was completed with contributions from PNNL, SNL and the INL. Two independent methods were used at INL and SNL to prepare engineered form (EF) sorbents from Ni-DOBDC MOF powder developed and prepared at PNNL. Xe and Kr capacity test evaluations were performed at ambient temperature with the cryostat experimental setup at INL. The initial INL EF MOF test results indicated a Xe capacity of 1.6 mmol/kg sorbent and no Kr capacity. A large loss of surface area also occurred during minimal testing rendering the INL EF MOF unusable. Four capacity tests were completed using the SNL EF MOF at ambient temperature and resulted in Xe capacities of 1.4, 4.2, 5.0 and 3.8 mmol/kg sorbent with no Kr capacity observed in any ambient temperature tests. Two additional capacity tests were performed at 240 K to further evaluate SNL EF MOF performance. Xe capacities of 50.7 and 49.3 mmol/kg of sorbent and Kr capacities of 0.77 and 0.69 mmol/kg of sorbent were obtained, respectively. Following the adsorption evaluations, the SNL EF MOF material had lost about 40 % of the initial mass and 40 % of the initial surface area. In general, the Xe capacity results at ambient temperature for the INL and SNL EF Ni-DOBDC MOF’s were lower than 9.8 mmol Xe/kg sorbent test results reported by INL in FY-12 using PNNL’s inital EF supplied material.

  17. 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.

  18. 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.

  19. 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.

  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. 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

  2. Assembly of Cerium(III) 2,2?-Bipyridine-5,5?-dicarboxylate-based Metal–Organic Frameworks by Solvent Tuning

    SciTech Connect (OSTI)

    Ayhan, Ozan [RWTH Aachen University; Malaestean, Iurie L. [RWTH Aachen University; Ellern, Arkady [Ames Laboratory; van Leusen, Jan [RWTH Aachen University; Baca, Svetlana G. [RWTH Aachen University; Kögerler, Paul [RWTH Aachen University

    2014-07-02T23:59:59.000Z

    Two cerium(III) 2,2?-bipyridine-5,5?-dicarboxylate-based 3D coordination networks highlight the ability of CeIII ions to adopt different coordination environments upon subtle changes to the reaction conditions, producing metal?organic frameworks that integrate varying crystal solvent contents.

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

    E-Print Network [OSTI]

    , stationary sources like coal-fired power plants, carbon capture and sequestration (CCS) has been proposed.4Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine- Appended Metal-Organic Framework viable absorbents for carbon capture under the aforementioned conditions, and they are presently used

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

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

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

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

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

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

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  7. 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...

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. A Highly Porous and Robust (3,3,4)-Connected Metal?Organic Framework Assembled with a 90° Bridging-Angle Embedded Octacarboxylate Ligand

    SciTech Connect (OSTI)

    Lu, Weigang; Yuan, Daqiang; Makal, Trevor A.; Li, Jian-Rong; Zhou, Hong-Cai (TAM)

    2012-03-15T23:59:59.000Z

    A dicopper(II)-paddle-wheel-based metal-organic framework (PCN-80, see picture) with a rare (3,3,4)-connected topology has been synthesized by using a unique octatopic ligand featuring 90{sup o} bridging-angle dicarboxylate moieties. PCN-80 has Brunauer-Emmett-Teller (BET) and Langmuir surface areas of 3850 and 4150 m{sup 2}g{sup -1}, respectively. It exhibits high gas-uptake capacity for H{sub 2} and large adsorption selectivity of CO{sub 2} over N{sub 2}.

  13. 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.

  14. 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.

  15. 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.

  16. Broadly Hysteretic H2 Adsorption in the Microporous Metal-Organic Framework Co(1,4-benzenedipyrazolate)

    E-Print Network [OSTI]

    H2 storage capacity. Recognizing the promise of certain tetrazolate-bridged frameworks for high. This result suggests that the high basicity of pyrazolate relative to tetrazolate imparts increased strength

  17. 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

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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 ...

  4. 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.

  5. Metal-doped organic foam

    DOE Patents [OSTI]

    Rinde, James A. (Livermore, CA)

    1982-01-01T23:59:59.000Z

    Organic foams having a low density and very small cell size and method for producing same in either a metal-loaded or unloaded (nonmetal loaded) form are described. Metal-doped foams are produced by soaking a polymer gel in an aqueous solution of desired metal salt, soaking the gel successively in a solvent series of decreasing polarity to remove water from the gel and replace it with a solvent of lower polarity with each successive solvent in the series being miscible with the solvents on each side and being saturated with the desired metal salt, and removing the last of the solvents from the gel to produce the desired metal-doped foam having desired density cell size, and metal loading. The unloaded or metal-doped foams can be utilized in a variety of applications requiring low density, small cell size foam. For example, rubidium-doped foam made in accordance with the invention has utility in special applications, such as in x-ray lasers.

  6. Heavy metals in Antarctic organisms

    SciTech Connect (OSTI)

    Moreno, J.E.A. de; Moreno, V.J. [Universidad Nacional de Mar del Plata (Argentina); Gerpe, M.S.; Vodopivez, C. [Instituto Antartico Argentino, Buenos Aires (Argentina)

    1997-02-01T23:59:59.000Z

    To evaluate levels of essential (zinc and copper) and non-essential (mercury and cadmium) heavy metals, 34 species of organisms from different areas close to the Antarctic Peninsula were analysed. These included algae, filter-feeders, omnivorous invertebrates and vertebrates. Mercury was not detected, while cadmium was found in the majority of organisms analysed (detection limit was 0.05 ppm for both metals). The highest cadmium concentration was observed in the starfish Odontaster validus. Anthozoans, sipunculids and nudibranchs showed maximum levels of zinc, while the highest copper level was found in the gastropod Trophon brevispira. Mercury and cadmium levels in fishes were below the detection limit. Concentrations of essential and non-essential metals in birds were highest in liver followed by muscle and eggs. Cadmium and mercury levels in muscle of southern elephant seals were above the detection limit, whereas in Antarctic fur seals they were below it. The objective of the study was to gather baseline information for metals in Antarctic Ocean biota that may be needed to detect, measure and monitor future environmental changes. 46 refs., 7 figs., 8 tabs.

  7. 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

  8. Computational modeling of metal-organic frameworks

    E-Print Network [OSTI]

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

    2012-01-01T23:59:59.000Z

    Orbital Ibu: Ibuprofen IPA: Isopropyl alcohol IUPAC:and isopropyl alcohol (IPA).63'64 Some of the most-NP) state. During adsorption of IPA, the adsorption of 3 IPA

  9. 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

  10. Porous Materials -Metal-Organic Frameworks

    E-Print Network [OSTI]

    Tsymbal, Evgeny Y.

    expected to grow to 68% in 2025 · Hydrogen as energy carrier clean, efficient, and can be derived from domestic resources Renewable (biomass, hydro, wind, solar, and geothermal) Fossil fuels (coal ,natural gas is a critical enabling technology for the acceptance of hydrogen powered vehicles · Storing sufficient hydrogen

  11. Postsynthetic modification of metal-organic frameworks

    E-Print Network [OSTI]

    Tanabe, Kristine Kimie

    2011-01-01T23:59:59.000Z

    Cubic Ĺngstrřm AA Atomic Absorption acac Acetylacetonate AM157 Table 5- 4. Atomic Absorption (AA) analysis of UMCM-1-NHby TGA, PXRD, atomic absorption (AA) analysis, diffuse

  12. 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...

  13. 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...

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

    E-Print Network [OSTI]

    Yaghi, Omar M.

    of interest for potential applications in clean energy, most significantly as storage media for gases of the hottest topics in MOF research in recent years has been carbon dioxide capture, which is directly related the considerations associated with using MOFs to reduce emissions of carbon dioxide from coal-fired power plants via

  15. 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

  16. 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,

  17. 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 +

  18. 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.

  19. 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.

  20. 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...

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

    Open Energy Info (EERE)

    Biphasic Metal Organic Working Fluids for Subcritical Geothermal Systems Geothermal Lab Call Project Jump to: navigation, search Last modified on July 22, 2011. Project Title...

  2. 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

  3. When Metal Organic Frameworks Turn into One-Dimensional Magnets...

    Office of Science (SC) Website

    Energy Sciences Advisory Committee (BESAC) News & Resources Contact Information Basic Energy Sciences U.S. Department of Energy SC-22Germantown Building 1000 Independence...

  4. 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

  5. An Exceptionally Stable, Porphyrinic Zr 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation InInformationCenterResearch HighlightsTools Printable Version Share

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

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest RegionatSearch Welcome to theNews & Blog » PhotoOxygen Generation |

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

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest RegionatSearch Welcome to theNewsCenter for Gas SeparationsRelevant to Clean

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

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest RegionatSearch Welcome to theNewsCenterand functionalities | Center for Gas

  9. 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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  10. Screening Metal-Organic Frameworks by Analysis of Transient Breakthrough

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  11. 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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  12. 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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  13. 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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  14. Synthesis, characterization, and application of metal organic framework

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  15. 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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  16. 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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  17. Highly porous metal-organic framework sustained with 12-connected

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

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  19. 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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  20. 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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  1. 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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  2. Isostructural Metal-Organic Frameworks Assembled from Functionalized

    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

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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)

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

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

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  6. Sandia National Laboratories: Sandia Metal-Organic Framework LDRD Research

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

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

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

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  8. Micro and Mesoporous Metal Organic Frameworks for Catalysis Applications. |

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

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  9. 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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  10. 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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  11. 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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  12. An Electrically Switchable Metal-Organic Framework. | EMSL

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

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  13. 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

  14. 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.

  15. Metal-Organic Heat Carrier Nanofluids. | EMSL

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

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  16. 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.

  17. Method of making metal-doped organic foam products

    DOE Patents [OSTI]

    Rinde, James A. (Livermore, CA)

    1981-01-01T23:59:59.000Z

    Organic foams having a low density and very small cell size and method for roducing same in either a metal-loaded or unloaded (nonmetal loaded) form are described. Metal-doped foams are produced by soaking a polymer gel in an aqueous solution of desired metal salt, soaking the gel successively in a solvent series of decreasing polarity to remove water from the gel and replace it with a solvent of lower polarity with each successive solvent in the series being miscible with the solvents on each side and being saturated with the desired metal salt, and removing the last of the solvents from the gel to produce the desired metal-doped foam having desired density cell size, and metal loading. The unloaded or metal-doped foams can be utilized in a variety of applications requiring low density, small cell size foam. For example, rubidium-doped foam made in accordance with the invention has utility in special applications, such as in x-ray lasers.

  18. 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.

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

    SciTech Connect (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.

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

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

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    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest Region service area.PortaldefaultIntroducing

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

    E-Print Network [OSTI]

    Yaghi, Omar M.

    , and carbon dioxide. Introduction Carbon dioxide emissions resulting from the burning of fossil fuels 20 metric tons of carbon dioxide per capita are released annually into the atmosphere.1a,b CarbonStorage of Hydrogen, Methane, and Carbon Dioxide in Highly Porous Covalent Organic Frameworks

  3. 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}.

  4. 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

  5. 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...

  6. 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.

  7. 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.

  8. 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,

  9. 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

  10. 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

  11. 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

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

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

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  13. 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)

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  14. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest Regionat Cornell BatteriesArchives Events/NewsYou are here Home »No

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

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  16. 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)

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  17. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest RegionatSearchScheduledProduction Undergraduate ResearchSites | Center

  18. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert SouthwestTechnologies | Blandine Jerome Careers at WIPP How to apply forFollowfor

  19. 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.

  20. Trace metal behaviour in riverine sediments: role of organic matter and sulphides Adeline Charriaua

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    1 Trace metal behaviour in riverine sediments: role of organic matter and sulphides Authors Adeline : 10.1016/j.apgeochem.2010.11.005 #12;2 Abstract Three sediment cores were collected in the Scheldt. The speciation and the distribution of trace metals in pore waters and sediment particles were assessed through

  1. 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...

  2. Transition metal oxides on organic semiconductors Yongbiao Zhao a

    E-Print Network [OSTI]

    Demir, Hilmi Volkan

    semiconductors (OSs) structure has been widely used in inverted organic optoelectronic devices, including toward in simplifying the fabrication process of the organic optoelectronic devices. Ă? 2014 Elsevier B], have gained great attention because of their wide applications in optoelectronic devices composed

  3. 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.

  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)

    2011-03-29T23:59:59.000Z

    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.

  5. 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.

  6. 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.

  7. 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.

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

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

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  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. 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)

  14. Microporous Metal Organic Materials: Promising Candidates as Sorbents for Hydrogen Storage

    E-Print Network [OSTI]

    Li, Jing

    Microporous Metal Organic Materials: Promising Candidates as Sorbents for Hydrogen Storage Long Pan coordination structures represent a promising new entry to the field of hydrogen storage materials.2 To fully that effectively store hydrogen are needed for use in fuel cell powered vehicles. Among the various candidate

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

    E-Print Network [OSTI]

    Pennycook, Steve

    Surfactant Organic Molecules Restore Magnetism in Metal-Oxide Nanoparticle Surfaces Juan Salafranca, Nashville, Tennessee 37235, United States *S Supporting Information ABSTRACT: The properties of magnetic nanoparticles tend to be depressed by the unavoidable presence of a magnetically inactive surface layer. However

  16. 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.

  17. 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.

  18. 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 ...

  19. 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

  20. Energy Transfer from Quantum Dots to Metal-Organic Frameworks for Enhanced Light Harvesting

    E-Print Network [OSTI]

    and photosynthesis-like ensembles for solar energy conversion. A few important studies demonstrating the promise applications of MOFs in gas storage,5 sensing,6 chemical separation,7 drug delivery,8 and so on. In addition of MOFs for conversion of solar energy to electrical or chemical energy have been reported previously.9

  1. 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

    Table 3.7A. Bonds for the IPA force field. Force Const.Table 3.7B. Angles for the IPA force field. Force Const.Table 3.7C. Dihedrals for the IPA force field. Force Const.

  2. 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...

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

    E-Print Network [OSTI]

    of California, Berkeley Lily Ackerman and Thomas R. Boussie Symyx Technologies, Inc. #12;A Tetrazolate

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

    E-Print Network [OSTI]

    Yu, Jiamei

    2013-03-20T23:59:59.000Z

    capture from flue gas streams in post-combustion plants. Although numerous efforts have been exerted on the investigation of MOFs for CO2 capture, the exploration of the effects from coexisting components present in very dilute proportions in flue gases...

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

    E-Print Network [OSTI]

    electricity is a major source of CO2 in the atmosphere, but the capture and sequestration of CO2 from flue gas two-thirds), CO2, water vapor, oxygen, and minor components such as carbon monoxide, nitrogen oxides

  6. 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

  7. 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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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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 |

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

    E-Print Network [OSTI]

    Garibay, Sergio J.

    2011-01-01T23:59:59.000Z

    calculated Langmuir surface area of ~3000 m 2 g -1 . 5 TheMoreover, surface areas greater than 3000 m 2 g -1 were

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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  9. 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 ...

  10. 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

  11. Life cycle cost study for coated conductor manufacture by metal organic chemical vapor deposition

    SciTech Connect (OSTI)

    Chapman, J.N.

    1999-07-13T23:59:59.000Z

    The purpose of this report is to calculate the cost of producing high temperature superconducting wire by the Metal Organic Chemical Vapor Deposition (MOCVD) process. The technology status is reviewed from the literature and a plant conceptual design is assumed for the cost calculation. The critical issues discussed are the high cost of the metal organic precursors, the material utilization efficiency and the capability of the final product as measured by the critical current density achieved. Capital, operating and material costs are estimated and summed as the basis for calculating the cost per unit length of wire. Sensitivity analyses of key assumptions are examined to determine their effects on the final wire cost. Additionally, the cost of wire on the basis of cost per kiloampere per meter is calculated for operation at lower temperatures than the liquid nitrogen boiling temperature. It is concluded that this process should not be ruled out on the basis of high cost of precursors alone.

  12. 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...

  13. 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 ...

  14. 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 ...

  15. 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

  16. 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.

  17. 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.

  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

    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.

  20. 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.

  1. 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

    Self-Assembly and Selective Guest Binding of Three-Dimensional Open- Framework Solids from by the one-pot template condensation re- action of amine and formaldehyde. From the self-assembly of 1-organic coordination networks having specific network topologies and potentially interesting prop- erties.[1±12] Self-assembly

  2. 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.

  3. 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.

  4. 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.

  5. 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...

  6. E-Print Network 3.0 - alkali metal-doped organic Sample Search...

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

    appeared to be rich in alkali... CI), inorganic grains finely dispersed in the organic structure of these materials or as cations associated... with the organic structure...

  7. Aluminum Nitride Micro-Channels Grown via Metal Organic Vapor Phase Epitaxy for MEMs Applications

    SciTech Connect (OSTI)

    Rodak, L.E.; Kuchibhatla, S.; Famouri, P.; Ting, L.; Korakakis, D.

    2008-01-01T23:59:59.000Z

    Aluminum nitride (AlN) is a promising material for a number of applications due to its temperature and chemical stability. Furthermore, AlN maintains its piezoelectric properties at higher temperatures than more commonly used materials, such as Lead Zirconate Titanate (PZT) [1, 2], making AlN attractive for high temperature micro and nanoelectromechanical (MEMs and NEMs) applications including, but not limited to, high temperature sensors and actuators, micro-channels for fuel cell applications, and micromechanical resonators. This work presents a novel AlN micro-channel fabrication technique using Metal Organic Vapor Phase Epitaxy (MOVPE). AlN easily nucleates on dielectric surfaces due to the large sticking coefficient and short diffusion length of the aluminum species resulting in a high quality polycrystalline growth on typical mask materials, such as silicon dioxide and silicon nitride [3,4]. The fabrication process introduced involves partially masking a substrate with a silicon dioxide striped pattern and then growing AlN via MOVPE simultaneously on the dielectric mask and exposed substrate. A buffered oxide etch is then used to remove the underlying silicon dioxide and leave a free standing AlN micro-channel. The width of the channel has been varied from 5 ěm to 110 ěm and the height of the air gap from 130 nm to 800 nm indicating the stability of the structure. Furthermore, this versatile process has been performed on (111) silicon, c-plane sapphire, and gallium nitride epilayers on sapphire substrates. Reflection High Energy Electron Diffraction (RHEED), Atomic Force Microscopy (AFM), and Raman measurements have been taken on channels grown on each substrate and indicate that the substrate is influencing the growth of the AlN micro-channels on the SiO2 sacrificial layer.

  8. 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...

  9. 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

  10. 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

  11. Coordination-Chemistry Control of Proton Conductivity in the Iconic Metal-Organic Framework Material HKUST-1

    E-Print Network [OSTI]

    . As shown below, we find that this approach can increase proton conductivity by close to 2 orders of magnitude. While any of several MOFs featuring open coordination sites3c,14 should be capable constructed from paddlewheel-coordinated (CuII )2 nodes and 1,3,5-benzenetricarboxylate (BTC) linkers15 (Chart

  12. Expanded Sodalite-Type Metal-Organic Frameworks: Increased Stability and H2 Adsorption through Ligand-Directed Catenation

    E-Print Network [OSTI]

    The torsion between the central benzene ring and the outer aromatic rings in 1,3,5-tri-p-(tetrazol-5-yl)phenylbenzene (H3TPB- 3tz) and the absence of such strain in 2,4,6-tri-p-(tetrazol-5-yl)- phenyl-s-triazine (H3TPT

  13. Strong CO2 Binding in a Water-Stable, Triazolate-Bridged Metal-Organic Framework Functionalized with Ethylenediamine

    E-Print Network [OSTI]

    as analogues of known tetrazolate-bridged structures8 with enhanced chemical and thermal stability as a result

  14. DOI: 10.1002/chem.200801336 Structure and Charge Control in MetalOrganic Frameworks Based on the

    E-Print Network [OSTI]

    · tetrazoles [a] M. Dinca, Prof. J. R. Long Department of Chemistry University of California at Berkeley

  15. Size-Selective Lewis Acid Catalysis in a Microporous Metal-Organic Framework with Exposed Mn2+

    E-Print Network [OSTI]

    tetrazolate ligands, with a sixth methanol ligand that projects into the pore present only 83% of the time. Site II is bound by just two tetrazolate ligands and accounts for one-ninth of the total manganese

  16. Computational identification of a metal organic framework for high selectivity membrane-based CO2/CH4 separations

    E-Print Network [OSTI]

    Nair, Sankar

    is an important issue in natural gas processing1,2 and landfill gas recovery.3 Enormous reserves of natural gas an adsorption-based separation.17 The conflicting trends in adsorption and diffusion selectivity noted above

  17. 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...

  18. 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

    synthesis route is not available. Use of multiple steps for surface modification or seeding causes reproducibility and scalability issues. 2. Conventional fabrication techniques are batch processes, thereby limiting their commercialization. Here we...

  19. Topological Analysis of Metal-Organic Frameworks with Polytopic Linkers and/or Multiple Building Units and the Minimal Transitivity

    E-Print Network [OSTI]

    Yaghi, Omar M.

    and Octahedral SBUs 1349 3. MOFs with Tetratopic Linkers 1349 3.1. Paddle Wheels and Other Square SBUs Joined by Planar Tetratopic Linkers 1349 3.2. Paddle-Wheel SBUs Joined by Tetrahedral Tetratopic Linkers 1352 3 of the nets of simpler solids, such as diamond or PtS.3-6 This was the so-called "ball and spoke" approach

  20. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest RegionatSearchScheduled System OutagesNewsMaterials Center atwith Open

  1. Synthesis of Amine-Modified Aerogel Sorbents and Metal-Organic Framework-5 (MOF-5) Membranes for Carbon Dioxide Separation.

    E-Print Network [OSTI]

    Rosa, Teresa M.

    2010-01-01T23:59:59.000Z

    ??Amine-modified solid sorbents and membrane separation are promising technologies for separation and capture of carbon dioxide (CO2) from combustion flue gas. Amine absorption processes are… (more)

  2. 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.

  3. Using atmospheric fallout to date organic horizon layers and quantify metal dynamics during decomposition

    E-Print Network [OSTI]

    Heimsath, Arjun M.

    - tribution of geochemical tracers from weapons fallout, air pollution, and a direct 207 Pb application at one by the recent suggestion that metals are mined from deeper horizons and brought into the O horizon via

  4. 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 ...

  5. Metal-like self-organization of periodic nanostructures on silicon and silicon carbide under femtosecond laser pulses

    SciTech Connect (OSTI)

    Gemini, Laura [Advanced Research Center for beam Science, Institute for Chemical Research, Kyoto University, 611-0011 Kyoto (Japan); Department of Physics, Graduate School of Science, Kyoto University, 606-85802 Kyoto (Japan); FNSPE, Czech Technical University in Prague, 11519 Prague (Czech Republic); HiLASE Project, Institute of Physics, ASCR, 18221 Prague (Czech Republic); Hashida, Masaki; Shimizu, Masahiro; Miyasaka, Yasuhiro; Inoue, Shunsuke; Tokita, Shigeki; Sakabe, Shuji [Advanced Research Center for beam Science, Institute for Chemical Research, Kyoto University, 611-0011 Kyoto (Japan); Department of Physics, Graduate School of Science, Kyoto University, 606-85802 Kyoto (Japan); Limpouch, Jiri [FNSPE, Czech Technical University in Prague, 11519 Prague (Czech Republic); Mocek, Tomas [HiLASE Project, Institute of Physics, ASCR, 18221 Prague (Czech Republic)

    2013-11-21T23:59:59.000Z

    Periodic structures were generated on Si and SiC surfaces by irradiation with femtosecond laser pulses. Self-organized structures with spatial periodicity of approximately 600?nm appear on silicon and silicon carbide in the laser fluence range just above the ablation threshold and upon irradiation with a large number of pulses. As in the case of metals, the dependence of the spatial periodicity on laser fluence can be explained by the parametric decay of laser light into surface plasma waves. The results show that the proposed model might be universally applicable to any solid state material.

  6. 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.

  7. Physiological responses of switchgrass (Panicum virgatum L.) to organic and inorganic amended heavy-metal contaminated chat tailings

    SciTech Connect (OSTI)

    Youngman, A.L. [Wichita State Univ., KS (United States). Dept. of Biological Sciences

    1997-12-31T23:59:59.000Z

    Study plots established at the Galena subsite of the Cherokee County Superfund Site in Southeastern Kansas by the US Bureau of Mines in 1990 were examined during the summer of 1996 to determine whether physiological criteria could be used to determine suitability of switchgrass for remediation of heavy-metal contaminated substrates. Switchgrass was chosen because it was the most frequently encountered species on these plots. Treatment plots included a treatment control, an organic residue treatment of 89.6 Mg Ha{sup {minus}1} composted cattle manure, and two inorganic fertilizer treatments recommended for either native grass or grass/legume mixtures. Plant response variables were photosynthetic rate, leaf conductance to water vapor, internal concentration of carbon dioxide in leaves, foliar transpiration rate, leaf water-use-efficiency, predawn leaf xylem water potential, and midday leaf xylem water potential. Predawn and midday xylem water potentials were higher for grass/legume inorganic treatment than for the other inorganic treatments. Leaf conductances were lower for organically treated plots than those plots not organically amended and both photosynthesis and transpiration were lower for organically treated plots. Leaf conductances and transpiration were higher for grass/legume treated plots than for plots lacking inorganic treatment. Water-use-efficiency was higher for native grass inorganically treated plots than for other inorganic treatments.

  8. [(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

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

    SciTech Connect (OSTI)

    Chang-Graham, Alexandra L.; Profeta, Luisa Tm; Johnson, Timothy J.; Yokelson, Robert J.; Laskin, Alexander; Laskin, Julia

    2011-01-10T23:59:59.000Z

    Natural and prescribed biomass fires are a major source of atmospheric aerosols that can persist in the atmosphere for long periods of time. Biomass burning aerosols (BBA) can be associated with long range transport of water soluble N?, S?, P?, and metal?containing species. In this study, BBA samples were collected using a particle?into?liquid sampler (PILS) from laboratory burns of vegetation collected on military bases in the southeastern and southwestern United States. The samples were then analyzed using high resolution electrospray ionization mass spectrometry (ESI/HR?MS) that enabled accurate mass measurements for hundreds of species with m/z values between 70 and 1000 and assignment of probable elemental formulae. Mg, Al, Ca, Cr, Mn, Fe, Ni, Cu, Zn, and Ba?containing organometallic species were identified. The results suggest that the biomass may have accumulated metal?containing species that were reemitted during biomass burning. Further research into the sources, persistence, and dispersion of metal?containing aerosols as well as their environmental effects is needed.

  10. Structure-Assisted Functional Anchor Implantation in Robust 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest RegionatSearchScheduled System Burst Buffer Archive Home » RAboutFrameworks

  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. 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.

  13. 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

  14. 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.

  15. 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)

  16. Confinement of Metal-Organic Polyhedra in Silica Nanopores | Center for

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation InInformationCenterResearchCASLNanoporous MaterialsComplianceOrganizationConferenceNewsGas

  17. Organization

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest Regionat CornellInternships,(SC) Laboratories »OrganicOrganization

  18. 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.

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

    E-Print Network [OSTI]

    are historically slow, the need for mitigation of current CO2 emissions using carbon capture and sequestration (CCSComprehensive study of carbon dioxide adsorption in the metal­organic frameworks M2(dobdc) (M ¼ Mg of adsorption in the M2(dobdc)­CO2 adducts. Introduction Currently, 80% of global energy is supplied by carbon

  20. Evaluating metalorganic frameworks for post-combustion carbon dioxide capture via temperature swing adsorption

    E-Print Network [OSTI]

    Evaluating metal­organic frameworks for post-combustion carbon dioxide capture via temperature.1039/c1ee01720a Broader context The development of an effective carbon dioxide capture system is critical capture via temperature swing adsorption (TSA). Low-pressure single-component CO2 and N2 adsorption

  1. SEME FRAMEWORK

    Energy Science and Technology Software Center (OSTI)

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

  2. 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.

  3. Study on plasma assisted metal-organic chemical vapor deposition of Zr,,C,N... and Ti,,C,N... thin films and in situ plasma diagnostics with optical

    E-Print Network [OSTI]

    Boo, Jin-Hyo

    films and in situ plasma diagnostics with optical emission spectroscopy S. J. Cho, S.-H. Nam, C.-K. JungStudy on plasma assisted metal-organic chemical vapor deposition of Zr,,C,N... and Ti,,C,N... thin C,N films were synthesized by pulsed dc plasma assisted metal-organic chemical vapor deposition

  4. 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.

  5. 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

  6. A series of novel metal–organic coordination polymers constructed from the new 5-(4-imidazol-1-yl-phenyl)-2H-tetrazole spacer and aromatic carboxylates: Synthesis, crystal structures, and luminescence properties

    SciTech Connect (OSTI)

    Sun, Jiayin [State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012 (China); Zhang, Daojun, E-mail: zhangdj0410@gmail.com [College of Chemistry and Chemical Engineering, Anyang Normal University, Anyang 455002 (China); Wang, Li [State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012 (China); Zhang, Renchun; Wang, Junjie; Zeng, Ying; Zhan, Jinling [College of Chemistry and Chemical Engineering, Anyang Normal University, Anyang 455002 (China); Xu, Jianing [State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012 (China); Fan, Yong, E-mail: mrfy@jlu.edu.cn [State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun 130012 (China)

    2013-10-15T23:59:59.000Z

    Using bifunctional organic ligand 5-(4-imidazol-1-yl-phenyl)-2H-tetrazole (HL) and different aromatic carboxylates as secondary ligands, four novel metal-organic coordination polymers, [Zn(L)(1,4-bdc){sub 0.5}] (1), [Zn{sub 1.5}(L)(2,5-pydc)] (2), [Zn(HL)(1,2,4,5-btec){sub 0.5}] (3), and [Cd(HL)(1,2,4,5-btec){sub 0.5}] (4) (1,4-bdc, 1,4-benzenedicarboxylate; 2,5-pydc, 2,5-pyridinedicarboxylate; 1,2,4,5-btec, 1,2,4,5-benzenetetracarboxylate) have been successfully synthesized and analyzed. Compound 1 features the 2D [Zn(L)]{sub n} layers built by ?{sub 3}-L bridging ligands and Zn(II) ions, which are further linked by pillared 1,4-bdc{sup 2?} ligands to form a 2-fold interpenetrating dmc framework. The 3D network of compound 2 can be simplified as a rare 2-nodal (3,6)-connected rtl (rutile) topology. Compound 3 possesses a 2D layer structure which is accomplished by connecting ladder-chains to L ligands. Compound 4 exhibits 2D [Cd(1,2,4,5-btec)] layers with infinite Cd–O–Cd rods and the adjacent 2D networks are further pillared by L with terminal bidentate coordination mode to generate the final 3D structure. The solid-state luminescent studies show that compounds 1–4 display intense fluorescent emissions. - Graphical abstract: Using bifunctional organic ligand 5-(4-imidazol-1-yl-phenyl)-2H-tetrazole (HL) and different aromatic carboxylates as secondary ligands, four novel metal-organic coordination polymers have been obtained. All compounds show good luminescence properties at room temperature. Display Omitted - Highlights: • Four Zn(II)/Cd(II)-MOCPs have been successfully prepared with the rigid bifunctional ligand 5-(4-imidazol -1-yl-phenyl) -2H-tetrazole and different aromatic carboxylates mixed ligands. • Compound 2 is a 2-nodal rtl (rutile) net and compound 4 is a binodal (5, 6)-connected net with yav topology. • Compounds 1-4 display intense fluorescent emissions at room temperature.

  7. 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

  8. Direct measurement of anisotropy of interfacial free energy from grain boundary groove morphology in transparent organic metal analong systems

    SciTech Connect (OSTI)

    Rustwick, Bryce A.

    2005-08-01T23:59:59.000Z

    Both academia and industry alike have paid close attention to the mechanisms of microstructural selection during the solidification process. The forces that give rise to and the principles which rule the natural selection of particular morphologies are important to understanding and controlling new microstructures. Interfacial properties play a very crucial role to the selection of such microstructure formation. In the solidification of a metallic alloy, the solid-liquid interface is highly mobile and responds to very minute changes in the local conditions. At this interface, the driving force must be large enough to drive solute diffusion, maintain local curvature, and overcome the kinetic barrier to move the interface. Therefore, the anisotropy of interfacial free energy with respect to crystallographic orientation is has a significant influence on the solidification of metallic systems. Although it is generally accepted that the solid-liquid interfacial free energy and its associated anisotropy are highly important to the overall selection of morphology, the confident measurement of these particular quantities remains a challenge, and reported values are scarce. Methods for measurement of the interfacial free energy include nucleation experiments and grain boundary groove experiments. The predominant method used to determine anisotropy of interfacial energy has been equilibrium shape measurement. There have been numerous investigations involving grain boundaries at a solid-liquid interface. These studies indicated the GBG could be used to describe various interfacial energy values, which affect solidification. Early studies allowed for an estimate of interfacial energy with respect to the GBG energy, and finally absolute interfacial energy in a constant thermal gradient. These studies however, did not account for the anisotropic nature of the material at the GBG. Since interfacial energy is normally dependent on orientation of the crystallographic plane of the solid with respect to the liquid, a better calculation of interfacial energy was needed. Herring described this orientation dependence, which related the interfacial undercooling to the principle interfacial curvatures. The present study pertains to the measurement of the anisotropy of interfacial energy by comparison of experimental and theoretical GBG geometries in pure succinonitrile (SCN) and pivalic acid (PVA). A quantity of SCN and PVA was distilled and zone refined using a process that is defined in the experimental procedure portion of this paper. Very thin (100 {micro}m) slide assemblies were created and filled with these organic materials. For each system, several grooves were photographed and their shapes were compared with theoretical predictions. The correlation between experiment and theory was quantified and plotted as a function of the anisotropy for each of the GBG's examined, and a maximum correlation corresponded to the anisotropy of interfacial energy which describes that particular rotation of the GBG. The results from several rotations were statistically analyzed to ensure confidence in the measurement of the anisotropy of interfacial energy and, finally, compared to reported values obtained with other techniques.

  9. Hydrogen storage in water-stable metalorganic frameworks incorporating 1,3-and 1,4-benzenedipyrazolate

    E-Print Network [OSTI]

    stability. Accordingly, we are working to extend our previous metal­tetrazolate framework chemistry3

  10. 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

    Enhancement of optical absorption in thin-film organic solar cells through the excitation 2010 We theoretically investigate the enhancement of optical absorption in thin-film organic solar.1063/1.3377791 Thin-film organic solar cells OSCs are a promising candidate for low-cost energy conversion.1­6 However

  11. Clustering of metal atoms in organic media. 9. High-activity Ni/MgO catalysts prepared by metal vapor methods. Surface area and particle size effects

    SciTech Connect (OSTI)

    Matsuo, K.; Klabunde, K.J.

    1982-02-01T23:59:59.000Z

    A metal vapor method was employed to prepare highly dispersed Ni metal catalysts (solvated metal atom dispersed = SMAD catalyst) supported on MgO. Compared with conventional Ni/MgO compositions, the SMAD catalysts showed much greater activities for all reactions studied (hydrogenolysis of methylcyclopentane, MCP; hydrogenation/hydrogenolysis of toluene, TOL; methanation of carbon monoxide, CO; dehydration of isopropyl alcohol, IPA). These high activities for the SMAD catalysts are attributed to the high surface area of Ni on MgO and the high percentage of this Ni in a zero-valent state (reduction degree). Conventional methods for preparing Ni/MgO catalysts did not yield nearly such favorable surface areas or reduction degrees. Nickel particle size effects were observed during hydrogenolysis studies of MCP and hydrogenation studies of TOL. These phenomena are explained by assuming the size of an active Ni particle to be largest for hydrogenolysis of MCP > hydrogenation of TOL > methanation of CO approx. = dehydrogenation of IPA. 8 figures, 2 tables.

  12. 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

  13. 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.

  14. The optimization of interfaces in InAsSb/InGaAs strained-layer superlattices grown by metal-organic chemical vapor deposition

    SciTech Connect (OSTI)

    Biefeld, R.M.; Baucom, K.C.; Kurtz, S.R.

    1993-12-31T23:59:59.000Z

    We have prepared InAsSb/InGaAs strained-layer superlattice (SLS) semiconductors by metal-organic chemical vapor deposition (MOCVD) under a variety of conditions. Presence of an InGaAsSb interface layer is indicated by x-ray diffraction patterns. Optimized growth conditions involved the use of low pressure, short purge times, and no reactant flow during the purges. MOCVD was used to prepare an optically pumped, single heterostructure InAsSb/InGaAs SLS/InPSb laser which emitted at 3.9 {mu}m with a maximum operating temperature of approximately 100 K.

  15. 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.

  16. 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 the compound in methanol and heating at 135 C for 24 h under dynamic vacuum, most of the solvent is removed and open Fe2+ coordination sites. Hydrogen adsorption data collected at 77 K show a steep rise

  17. 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.

  18. 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

    storage has been the center of interest because of the needs for an alternative fuel in mobile. The highest H2 gas uptake data reported so far is 7.5 wt% at 77 K and 70 bar in MOF-177,[23] but the best room temperature storage data are far less than 1% (0.62 wt%).[24] The highest CO2 uptake data reported so far

  19. 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

  20. 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...

  1. Optimization of InAsSb/InGaAs strained-layer superlattice growth by metal-organic chemical vapor deposition for use in infrared emitters

    SciTech Connect (OSTI)

    Biefeld, R.M.; Baucom, K.C.; Follstaedt, D.M.; Kurtz, S.R.

    1994-08-01T23:59:59.000Z

    We have prepared InAsSb/InGaAs strained-layer superlattices (SLSs) by metal-organic chemical vapor deposition using a variety of growth conditions. Presence of an InGaAsSb interface layer was indicated by x-ray diffraction. This interface effect was minimized by optimizing the purge times, reactant flows, and growth conditions. The optimized growth conditions involved the use of low pressure, short purge times between the growth of the layers, and no reactant flow during the purges. Electron diffraction indicates that CuPt-type compositional ordering occurs in InAs{sub 1{minus}x}Sb{sub x} alloys and SLSs which explains an observed bandgap reduction from previously accepted alloy values.

  2. 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

  3. 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.

  4. 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

  5. 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 ...

  6. 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.

  7. Enterprise Security Planning using Zachman Framework: Designer's Perspective

    E-Print Network [OSTI]

    Ertaull, Levent

    Enterprise Security Planning using Zachman Framework: Designer's Perspective Abstract planning point of view. Index Terms - Enterprise Architecture, Zachman Framework, Enterprise Security security planning. This paper has been organized as follows. Section 2, describes the enterprise

  8. 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.

  9. Reversible photodeposition and dissolution of metal ions

    DOE Patents [OSTI]

    Foster, Nancy S. (Boulder, CO); Koval, Carl A. (Golden, CO); Noble, Richard D. (Boulder, CO)

    1994-01-01T23:59:59.000Z

    A cyclic photocatalytic process for treating waste water containing metal and organic contaminants. In one embodiment of the method, metal ions are photoreduced onto the photocatalyst and the metal concentrated by resolubilization in a smaller volume. In another embodiment of the method, contaminant organics are first oxidized, then metal ions removed by photoreductive deposition. The present invention allows the photocatalyst to be recycled until nearly complete removal of metal ions and organic contaminants is achieved.

  10. 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...

  11. Economic Impact Reporting Framework

    E-Print Network [OSTI]

    Economic Impact Reporting Framework 2007/08 November 2008 #12;#12;Economic Impact Reporting Framework 2007/08 #12;STFC Economic Impact Reporting Framework 2007/08 Contents: Introduction..............................................................................................................................................2 1: Overall Economic Impacts

  12. Economic Impact Reporting Framework

    E-Print Network [OSTI]

    Economic Impact Reporting Framework 2008/09 #12;#12;Economic Impact Reporting Framework 2008/09 #12;STFC Economic Impact Reporting Framework 2008/09 Contents: Introduction..............................................................................................................................................2 1: Overall Economic Impacts

  13. 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...

  14. 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

  15. E-Print Network 3.0 - alkali metal carbonates Sample Search Results

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

    , sodium carbide, turpentine, finely divided metals Calcium water, carbon dioxide, carbon tetrachloride... , acids, metal powders, sulfur, finely divided organics or...

  16. 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

  17. 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...

  18. 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 ...

  19. In-situ Evaluation of Soil Organic Molecules: Functional Group Chemistry Aggregate Structures, Metal & Surface Complexation Using Soft X-Ray

    SciTech Connect (OSTI)

    Myneni, Satish, C

    2008-11-30T23:59:59.000Z

    Organic molecules are common in all Earth surface environments, and their composition and chemistry play an important role in a variety of biogeochemical reactions, such as mineral weathering, nutrient cycling and the solubility and transport of contaminants. However, most of what we know about the chemistry of these molecules comes from spectroscopy and microscopy studies of organic molecules extracted from different natural systems using either inorganic or organic solvents. Although all these methods gave us clues about the composition of these molecules, their composition and structure change with the extraction and the type of ex-situ analysis, their true behavior is less well understood. The goal of this project is to develop synchrotron instrumentation for studying natural organics, and to apply these recently developed synchrotron X-ray spectroscopy and microscopy techniques for understanding the: (1) functional group composition of naturally occurring organic molecules; (2) macromolecular structures of organic molecules; and (3) the nature of interactions of organic molecules with mineral surfaces in different environmental conditions.

  20. 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.

  1. 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.

  2. 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...

  3. 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.}

  4. 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.

  5. Spark Distributed Analytic Framework

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

    Analytic Framework Description and Overview Apache Spark(tm) is a fast and general engine for large-scale data processing. Availibility Spark is Available on Edison in CCM...

  6. Cybersecurity Framework Development Overview

    E-Print Network [OSTI]

    Bentz, Dale P.

    Cybersecurity Framework Development Overview NIST's Role in Implementing Executive Order 13636 "Improving Critical Infrastructure Cybersecurity" #12;Executive Order 13636: Improving Critical Infrastructure Cybersecurity - February 12, 2013 "The cyber threat to critical infrastructure continues to grow

  7. Cybersecurity Framework Development Overview

    E-Print Network [OSTI]

    Cybersecurity Framework Development Overview NIST's Role in Implementing Executive Order 13636 "Improving Critical Infrastructure Cybersecurity" #12;Executive Order 13636: Improving Critical Infrastructure Cybersecurity February 12, 2013 · "The cyber threat to critical infrastructure continues to grow

  8. 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...

  9. Conceptual Framework Presentation, 2006, Slide 1 The Conceptual Framework for

    E-Print Network [OSTI]

    de Lijser, Peter

    Conceptual Framework Presentation, 2006, Slide 1 The Conceptual Framework for Programs that Prepare Professionals Who Work in Schools What - Why - and Why You? #12;Conceptual Framework Presentation, 2006, Slide 2 on and develop your philosophy as a professional. . . WHY YOU? #12;Conceptual Framework Presentation, 2006, Slide

  10. 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.

  11. Silicone metalization

    DOE Patents [OSTI]

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

    2006-12-05T23:59:59.000Z

    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.

  12. 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

  13. 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.

  14. 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

  15. 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

  16. E-Print Network 3.0 - absorbable organic halides Sample Search...

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

    Collection: Chemistry 64 386 JACKHALPERN VOl. 3 xidative-AdditionReactions of Transition Metal Complexes Summary: peroxide, as well as various organic halides and metal...

  17. Detection of Heavy Metal Ions Based on Quantum Point Contacts

    E-Print Network [OSTI]

    Zhang, Yanchao

    . The ability to detect trace amounts of metal ions is important because of the toxicity of heavy metal ionsDetection of Heavy Metal Ions Based on Quantum Point Contacts Vasanth Rajagopalan, Salah Boussaad on many living organisms and the consequence of heavy metal ions not being biodegradable. To date, heavy

  18. 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.

  19. 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 ...

  20. A framework for digital watercolor

    E-Print Network [OSTI]

    O'Brien, Patrick Michael

    2008-10-10T23:59:59.000Z

    This research develops an extendible framework for reproducing watercolor in a digital environment, with a focus on interactivity using the GPU. The framework uses the lattice Boltzmann method, a relatively new approach to fluid dynamics...

  1. The National Transport Data Framework

    E-Print Network [OSTI]

    Landshoff, Peter Vincent; Polak, John

    2008-08-18T23:59:59.000Z

    ................................................................................................................ 14 NTDF PROTOTYPE ............................................................................................................................... 14 NTDF ARCHITECTURE... ................................................................................................................................. 27 RESOURCING .......................................................................................................................................... 27 ? The National Transport Data Framework March 2008 ? Page 2 SUSTAINABILITY...

  2. Development of a metal hydride electrode waste treatment process

    SciTech Connect (OSTI)

    Bianco, J.C.; Martin, D.; Ansart, F.; Castillo, S.

    1999-12-01T23:59:59.000Z

    Manufacturing residues of metal hydride electrodes for nickel - metal hydride batteries were chemically processed to recover the metal part and heat treated for the organic part. Chemical recovery yielded Ni-Co alloy after electrolysis of the solution and hydroxides of other metal, mainly rare earths. The organic part, pyrolyzed at 700 C, led to separation between carbon and fluorinated matter. Infrared coupling at the output of the pyrolysis furnace was used to identify the pyrolysis gases.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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...

  9. An object-oriented framework to organize genomic data

    E-Print Network [OSTI]

    Wei, Ning

    2009-05-15T23:59:59.000Z

    APPENDIX M: WEB PRESENTATION LAYER - ContigList.jsp ............................. 147 APPENDIX N: WEB PRESENTATION LAYER - xwork.xml ................................... 148 APPENDIX O: WEB PRESENTATION LAYER - action-servlet... to a Java Servlet which processes it, interacts with a database and produces an HTML-formatted response, or it is given to a JavaServer Pages (JSP) document. Both approaches are often considered inadequate for large projects because they mix...

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

    E-Print Network [OSTI]

    organizational managers in making informed decisions regarding the security of their information systems. NIST agencies implementing risk-based planning and management also must consider effectiveness, efficiency for their information and information systems with the gains in capabilities and improved support of organizational

  11. 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)

  12. 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

  13. Zeolitic imidazolate frameworks for kinetic separation of propane and propene

    DOE Patents [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.

  14. 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...

  15. 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...

  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 Friday, January 30, 2015 Graphene, a two dimensional semi-metal made of sp2 hybridized carbon, is...

  17. Sodium loop framework structural analysis

    SciTech Connect (OSTI)

    Nguyen, P.M.

    1995-06-06T23:59:59.000Z

    This document provides the structural analysis of the Sodium Loop framework in a drop condition. The drop is similar to the US Department of Transportation non-bulk, performance-oriented packaging (Packaging Group I) drop test. The drop height evaluated for the Sodium Loop framework is 5.9 ft.

  18. Route to transition metal carbide nanoparticles through cyanamide and metal oxides

    SciTech Connect (OSTI)

    Li, P.G. [Department of Physics, Center for Optoelectronics Materials and Devices, Zhejiang Sci-Tech University, Xiasha College Park, Hangzhou 310018 (China)], E-mail: peigangiphy@yahoo.com.cn; Lei, M.; Tang, W.H. [Department of Physics, Center for Optoelectronics Materials and Devices, Zhejiang Sci-Tech University, Xiasha College Park, Hangzhou 310018 (China)

    2008-12-01T23:59:59.000Z

    We have designed an efficient route to the synthesis of transition metal carbide nanoparticles starting from an organic reagent cyanamide and transition metal oxides. Four technologically important metal carbide nanoparticles such as tungsten carbide, niobium carbide, tantalum carbide and vanadium carbide were synthesized successfully at moderate temperatures. It is found that cyanamide is an efficient carburization reagent and that the metal oxides are completely transmitted into the corresponding carbide nanoparticles. A possible mechanism is proposed to explain the results of the reaction between cyanamide and the metal oxides.

  19. 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...

  20. 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...

  1. Composite metal membrane

    DOE Patents [OSTI]

    Peachey, Nathaniel M. (Espanola, NM); Dye, Robert C. (Los Alamos, NM); Snow, Ronny C. (Los Alamos, NM); Birdsell, Stephan A. (Los Alamos, NM)

    1998-01-01T23:59:59.000Z

    A composite metal membrane including a first metal layer of Group IVB met or Group VB metals, the first metal layer sandwiched between two layers of an oriented metal of palladium, platinum or alloys thereof is provided together with a process for the recovery of hydrogen from a gaseous mixture including contacting a hydrogen-containing gaseous mixture with a first side of a nonporous composite metal membrane including a first metal of Group IVB metals or Group VB metals, the first metal layer sandwiched between two layers of an oriented metal of palladium, platinum or alloys thereof, and, separating hydrogen from a second side of the nonporous composite metal membrane.

  2. Composite metal membrane

    DOE Patents [OSTI]

    Peachey, N.M.; Dye, R.C.; Snow, R.C.; Birdsell, S.A.

    1998-04-14T23:59:59.000Z

    A composite metal membrane including a first metal layer of Group IVB met or Group VB metals, the first metal layer sandwiched between two layers of an oriented metal of palladium, platinum or alloys thereof is provided together with a process for the recovery of hydrogen from a gaseous mixture including contacting a hydrogen-containing gaseous mixture with a first side of a nonporous composite metal membrane including a first metal of Group IVB metals or Group VB metals, the first metal layer sandwiched between two layers of an oriented metal of palladium, platinum or alloys thereof, and, separating hydrogen from a second side of the nonporous composite metal membrane.

  3. REVIEW ARTICLE Heavy Metal Pollutants and Chemical Ecology: Exploring

    E-Print Network [OSTI]

    Boyd, Robert S.

    REVIEW ARTICLE Heavy Metal Pollutants and Chemical Ecology: Exploring New Frontiers Robert S. Boyd to be learned about how heavy metal pollution impacts organisms, and that exciting new research frontiers as pollutants (Han et al. 2002), including Cd, Cu, Cr, Hg, Pb, Ni, and Zn. Much research on heavy metal

  4. 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

  5. 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.

  6. 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.

  7. Metal resistance sequences and transgenic plants

    SciTech Connect (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.

  8. 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 Data Center Home Page on Delicious RankCombustion | Department of EnergyDevelopmentTechnologies |Charles Page -toMetabolic PathwaysMetal

  9. 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 ...

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. Geologic Framework Model (GFM2000)

    SciTech Connect (OSTI)

    T. Vogt

    2004-08-26T23:59:59.000Z

    The purpose of this report is to document the geologic framework model, version GFM2000 with regard to input data, modeling methods, assumptions, uncertainties, limitations, and validation of the model results, and the differences between GFM2000 and previous versions. The version number of this model reflects the year during which the model was constructed. This model supersedes the previous model version, documented in Geologic Framework Model (GFM 3.1) (CRWMS M&O 2000 [DIRS 138860]). The geologic framework model represents a three-dimensional interpretation of the geology surrounding the location of the monitored geologic repository for spent nuclear fuel and high-level radioactive waste at Yucca Mountain. The geologic framework model encompasses and is limited to an area of 65 square miles (168 square kilometers) and a volume of 185 cubic miles (771 cubic kilometers). The boundaries of the geologic framework model (shown in Figure 1-1) were chosen to encompass the exploratory boreholes and to provide a geologic framework over the area of interest for hydrologic flow and radionuclide transport modeling through the unsaturated zone (UZ). The upper surface of the model is made up of the surface topography and the depth of the model is constrained by the inferred depth of the Tertiary-Paleozoic unconformity. The geologic framework model was constructed from geologic map and borehole data. Additional information from measured stratigraphic sections, gravity profiles, and seismic profiles was also considered. The intended use of the geologic framework model is to provide a geologic framework over the area of interest consistent with the level of detailed needed for hydrologic flow and radionuclide transport modeling through the UZ and for repository design. The model is limited by the availability of data and relative amount of geologic complexity found in an area. The geologic framework model is inherently limited by scale and content. The grid spacing used in the geologic framework model (200 feet [61 meters]), discussed in Section 6.4.2, limits the size of features that can be resolved by the model but is appropriate for the distribution of data available and its intended use. Uncertainty and limitations are discussed in Section 6.6 and model validation is discussed in Section 7.

  15. 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.

  16. 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.

  17. 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...

  18. International Framework for Nuclear Energy Cooperation (IFNEC...

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

    International Framework for Nuclear Energy Cooperation (IFNEC) Expert meetings in Romania International Framework for Nuclear Energy Cooperation (IFNEC) Expert meetings in Romania...

  19. Energy Sector Cybersecurity Framework Implementation Guidance...

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

    Cybersecurity Framework Implementation Guidance - Notice of Public Comment: Federal Register Notice, Volume 79, No. 177, September 12, 2014 Energy Sector Cybersecurity Framework...

  20. 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.

  1. 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.

  2. Mechanochemical processing for metals and metal alloys

    DOE Patents [OSTI]

    Froes, Francis H. (Moscow, ID); Eranezhuth, Baburaj G. (Moscow, ID); Prisbrey, Keith (Moscow, ID)

    2001-01-01T23:59:59.000Z

    A set of processes for preparing metal powders, including metal alloy powders, by ambient temperature reduction of a reducible metal compound by a reactive metal or metal hydride through mechanochemical processing. The reduction process includes milling reactants to induce and complete the reduction reaction. The preferred reducing agents include magnesium and calcium hydride powders. A process of pre-milling magnesium as a reducing agent to increase the activity of the magnesium has been established as one part of the invention.

  3. 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.

  4. Evaluation of Radiation Resistance for Organic Materials

    E-Print Network [OSTI]

    McDonald, Kirk

    of colors Creation of UV-resistant plants Fibrous adsorbent for metals Biodegradable plastics Decomposition) -Gas evolution Modification Degradation Scheme of interaction between organic materials and radiation-015 Polytetrafluoroethylene (PTFE) Degradation of organic materials is accelerated at high temperature. O O C O n C C F F F F

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. 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

  10. Metagenomic Insights into Evolution of a Heavy Metal-Contaminated Groundwater Microbial Community

    E-Print Network [OSTI]

    Hemme, Christopher L.

    2010-01-01T23:59:59.000Z

    acetone). Finally, toxic heavy metal stress has resulted inby exporting toxic organics from the cell. (iv) Heavy metalheavy metal ions are relatively simple, typically involving: (a) conversion of the ion to a less toxic

  11. 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.

  12. Organic geochemistry and organic petrography

    SciTech Connect (OSTI)

    Bostick, N.H.; Hatch, J.R.; Daws, T.A.; Love, A.H.; Lubeck, S.C.M.; Threlkeld, C.N.

    1987-01-01T23:59:59.000Z

    The Vermillion Creek coals and shales contain dominantly humic organic matter originating from woody plant tissues except for one shale unit above the coals, which contains hydrogen-rich kerogen that is mostly remains of filamentous algae, of likely lacustrine origin. The coals have two unusual features - very low inertinite content and high sulfur content compared to mined western coals. However, neither of these features points to the limnic setting reported for the Vermillion Creek sequence. The vitrinite reflectance of Vermillion Creek shales is markedly lower than that of the coals and is inversely proportional to the H/C ratio of the shales. Rock-Eval pyrolysis results, analyses of H, C, and N, petrographic observations, isotope composition of organic carbon, and amounts and compositions of the CHCl/sub 3/-extractable organic matter all suggest mixtures of two types of organic matter in the Vermillion Creek coals and clay shales: (1) isotopically heavy, hydrogen-deficient, terrestrial organic matter, as was found in the coals, and (2) isotopically light, hydrogen-rich organic matter similar to that found in one of the clay-shale samples. The different compositions of the Vermillion Creek coal, the unnamed Williams Fork Formation coals, and coals from the Middle Pennsylvanian Marmaton and Cherokee Groups are apparently caused by differences in original plant composition, alteration of organic matter related to different pH conditions of the peat swamps, and slightly different organic maturation levels.

  13. 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.

  14. 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

  15. 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.

  16. 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

  17. 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.

  18. Method and reaction pathway for selectively oxidizing organic compounds

    DOE Patents [OSTI]

    Camaioni, Donald M. (Richland, WA); Lilga, Michael A. (Richland, WA)

    1998-01-01T23:59:59.000Z

    A method of selectively oxidizing an organic compound in a single vessel comprises: a) combining an organic compound, an acid solution in which the organic compound is soluble, a compound containing two oxygen atoms bonded to one another, and a metal ion reducing agent capable of reducing one of such oxygen atoms, and thereby forming a mixture; b) reducing the compound containing the two oxygen atoms by reducing one of such oxygen atoms with the metal ion reducing agent to, 1) oxidize the metal ion reducing agent to a higher valence state, and 2) produce an oxygen containing intermediate capable of oxidizing the organic compound; c) reacting the oxygen containing intermediate with the organic compound to oxidize the organic compound into an oxidized organic intermediate, the oxidized organic intermediate having an oxidized carbon atom; d) reacting the oxidized organic intermediate with the acid counter ion and higher valence state metal ion to bond the acid counter ion to the oxidized carbon atom and thereby produce a quantity of an ester incorporating the organic intermediate and acid counter ion; and e) reacting the oxidized organic intermediate with the higher valence state metal ion and water to produce a quantity of alcohol which is less than the quantity of ester, the acid counter ion incorporated in the ester rendering the carbon atom bonded to the counter ion less reactive with the oxygen containing intermediate in the mixture than is the alcohol with the oxygen containing intermediate.

  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. 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.

  1. 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.

  2. New approach to the generation of metal-bearing, medium-pore, shape-selective zeolites for Fischer-Tropsch catalysis. Spectroscopic studies of zeolites

    SciTech Connect (OSTI)

    Iton, L.E.; Beal, R.B.; Hodul, D.T.

    1983-01-01T23:59:59.000Z

    Two recent developments in zeolite synthesis and modification were successfully combined to demonstrate a new approach to the generation of metal-bearing, medium-pore, shape-selective zeolites for use as catalysts in Fischer-Tropsch conversions. The steps are: (1) synthesis of an aluminoferrisilicate zeolite having the ZSM-5-type structure; (2) removal of the organic base template incorporated in the channel system during synthesis; (3) formation of a polycyano inclusion compound in the AFS zeolite; and (4) reduction of the inclusion compound by hydrogen at approx. 400/sup 0/C. PAS and EPR spectroscopy have been used to establish that the as-synthesized AFS zeolite contains Fe/sup 3 +/ ions in both framework and non-framework sites. FMR spectroscopy has been used to confirm the formation of the metallic (Fe) and bimetallic (Fe/Ru and Fe/Co) particles as products of the reduction of the inclusion compounds by hydrogen. The application of other spectroscopic techniques in recent studies of cations, complexes, and metal particles in zeolites is reviewed: high-resolution solid-state NMR, nuclear-spin-relaxation studies, FMR, EXAFS, and XANES.

  3. 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 ...

  4. 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 ...

  5. 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...

  6. 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

  7. E-Print Network 3.0 - atmospheric metallic pollution Sample Search...

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

    priority pollutants, stormwater, sewer systems, atmospheric deposition... campaigns of rainwater. 8 organic pollutants in the dissolved phase and almost all metals in both...

  8. E-Print Network 3.0 - assess heavy metals Sample Search Results

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

    Submitted to Summary: and organic pollutants that include heavy metals, PAHs, PCBs, dioxins, and furans that have deleterious... environmental effects. For example, sediment...

  9. Process for forming a metal compound coating on a substrate

    DOE Patents [OSTI]

    Sharp, Donald J. (Albuquerque, NM); Vernon, Milton E. (Albuquerque, NM); Wright, Steven A. (Albuquerque, NM)

    1991-01-01T23:59:59.000Z

    A method of coating a substrate with a thin layer of a metal compound by forming a dispersion of an electrophoretically active organic colloid and a precursor of the metal compound in an electrolytic cell in which the substrate is an electrode. Upon application of an electric potential, the electrode is coated with a mixture of the organic colloid and the precursor to the metal compound, and the coated substrate is then heated in the presence of an atmosphere or vacuum to decompose the organic colloid and form a coating of either a combination of metal compound and carbon, or optionally forming a porous metal compound coating by heating to a temperature high enough to chemically react the carbon.

  10. Process for forming a metal compound coating on a substrate

    DOE Patents [OSTI]

    Sharp, D.J.; Vernon, M.E.; Wright, S.A.

    1988-06-29T23:59:59.000Z

    A method of coating a substrate with a thin layer of a metal compound by forming a dispersion of an electrophoretically active organic colloid and a precursor of the metal compound in an electrolytic cell in which the substrate is an electrode. Upon application of an electric potential, the electrode is coated with a mixture of the organic colloid and the precursor to the metal compound, and the coated substrate is then heated in the presence of an atmosphere or vacuum to decompose the organic colloid and form a coating of either a combination of metal compound and carbon, or optionally forming a porous metal compound coating by heating to a temperature high enough to chemically react the carbon.

  11. 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 Data Center Home Page on Delicious Rank EERE:YearRound-UpHeatMulti-Dimensional Electrical Resistivity Structure | Department ofFramework for

  12. 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.

  13. Organic solvent topical report

    SciTech Connect (OSTI)

    COWLEY, W.L.

    1999-05-13T23:59:59.000Z

    This report provides the basis for closing the organic solvent safety issue. Sufficient information is presented to conclude that risk posed by an organic solvent fire is within risk evaluation guidelines. This report updates information contained in Analysis of Consequences of Postulated Solvent Fires in Hanford Site Waste Tanks. WHC-SD-WM-CN-032. Rev. 0A (Cowley et al. 1996). However, this document will not replace Cowley et al (1996) as the primary reference for the Basis for Interim Operation (BIO) until the recently submitted BIO amendment (Hanson 1999) is approved by the US Department of Energy. This conclusion depends on the use of controls for preventing vehicle fuel fires and for limiting the use of flame cutting in areas where hot metal can fall on the waste surface.The required controls are given in the Tank Waste Remediation System Technical Safety Requirements (Noorani 1997b). This is a significant change from the conclusions presented in Revision 0 of this report. Revision 0 of this calcnote concluded that some organic solvent fire scenarios exceeded risk evaluation guidelines, even with controls imposed.

  14. Demand Response Valuation Frameworks Paper

    E-Print Network [OSTI]

    Heffner, Grayson

    2010-01-01T23:59:59.000Z

    in regions with organized energy markets (day-ahead or real-or bid into day-ahead energy markets then it might gainin capacity and energy markets are significant only in the

  15. 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...

  16. 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

  17. SOPA -A Self Organizing Processing and Streaming Architecture Gerald Friedland and Karl Pauls

    E-Print Network [OSTI]

    Rojas, RaĂşl

    . 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

  18. 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

  19. Framework for Improving Critical Infrastructure Cybersecurity

    E-Print Network [OSTI]

    Framework for Improving Critical Infrastructure Cybersecurity Version 1.0 National Institute of Standards and Technology February 12, 2014 #12;February 12, 2014 Cybersecurity Framework Version 1.0 Table............................................................................................................. 20 ii #12;February 12, 2014 Cybersecurity Framework Version 1.0 Executive Summary The national

  20. The Offline Software Framework of the Pierre Auger Observatory

    E-Print Network [OSTI]

    S. Argiro; S. L. C. Barroso; J. Gonzalez; L. Nellen; T. Paul; T. A. Porter; L. Prado Jr.; M. Roth; R. Ulrich; D. Veberic

    2007-07-11T23:59:59.000Z

    The Pierre Auger Observatory is designed to unveil the nature and the origins of the highest energy cosmic rays. The large and geographically dispersed collaboration of physicists and the wide-ranging collection of simulation and reconstruction tasks pose some special challenges for the offline analysis software. We have designed and implemented a general purpose framework which allows collaborators to contribute algorithms and sequencing instructions to build up the variety of applications they require. The framework includes machinery to manage these user codes, to organize the abundance of user-contributed configuration files, to facilitate multi-format file handling, and to provide access to event and time-dependent detector information which can reside in various data sources. A number of utilities are also provided, including a novel geometry package which allows manipulation of abstract geometrical objects independent of coordinate system choice. The framework is implemented in C++, and takes advantage of object oriented design and common open source tools, while keeping the user side simple enough for C++ novices to learn in a reasonable time. The distribution system incorporates unit and acceptance testing in order to support rapid development of both the core framework and contributed user code.

  1. The Offline Software Framework of the Pierre Auger Observatory

    E-Print Network [OSTI]

    S. Argiro; S. L. C Barroso; J. Gonzalez; L. Nellen; T. Paul; T. A. Porter; L. Prado Jr.; M. Roth; R. Ulrich; D. Veberic

    2006-01-01T23:59:59.000Z

    The Pierre Auger Observatory is designed to unveil the nature and the origins of the highest energy cosmic rays. The large and geographically dispersed collaboration of physicists and the wide-ranging collection of simulation and reconstruction tasks pose some special challenges for the offline analysis software. We have designed and implemented a general purpose framework which allows collaborators to contribute algorithms and sequencing instructions to build up the variety of applications they require. The framework includes machinery to manage these user codes, to organize the abundance of user-contributed configuration files, to facilitate multi-format file handling, and to provide access to event and time-dependent detector information which can reside in various data sources. A number of utilities are also provided, including a novel geometry package which allows manipulation of abstract geometrical objects independent of coordinate system choice. The framework is implemented in C++, and takes advantage of object oriented design and common open source tools, while keeping the user side simple enough for C++ novices to learn in a reasonable time. The distribution system incorporates unit and acceptance testing in order to support rapid development of both the core framework and contributed user code.

  2. 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...

  3. 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.

  4. 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.

  5. 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.

  6. New lithium cuprates for the promotion of directed organic transformations

    E-Print Network [OSTI]

    Harford, Philip James

    2014-10-07T23:59:59.000Z

    The use of bimetallic bases to effect highly stereoselective organic transformations via Directed ortho Metalation (DoM) is an important synthetic tool and requires thorough investigation to maximise efficiency and develop a mechanistic...

  7. 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...

  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. 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.

  10. 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.

  11. 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.

  12. ITL BULLETIN FOR NOVEMBER 2013 ITL RELEASES PRELIMINARY CYBERSECURITY FRAMEWORK

    E-Print Network [OSTI]

    ITL BULLETIN FOR NOVEMBER 2013 ITL RELEASES PRELIMINARY CYBERSECURITY FRAMEWORK The Information a Preliminary Cybersecurity Framework for public review and comment. ITL developed the framework based is developing the framework under Executive Order 13636, Improving Critical Infrastructure Cybersecurity, which

  13. 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.

  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. High Seebeck effects from conducting polymer: Poly(3,4-ethylenedioxythiophene): poly(styrenesulfonate) based thin-film device with hybrid metal/polymer/metal architecture

    SciTech Connect (OSTI)

    Stanford, Michael G [ORNL; Wang, Hsin [ORNL; Ivanov, Ilia N [ORNL; Hu, Bin [University of Tennessee, Knoxville (UTK)

    2012-01-01T23:59:59.000Z

    Conductive polymers are of particular interest for thermoelectric applications due to their low thermal conductivity and relatively high electrical conductivity. In this study, commercially available conducting polymer poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) was used in a hybrid metal/polymer/metal thin film design in order to achieve a high Seebeck coefficient with the value of 252lV/k on a relatively low temperature scale. Polymer film thickness was varied in order to investigate its influence on the Seebeck effect. The high Seebeck coefficient indicates that the metal/polymer/metal design can develop a large entropy difference in internal energy of charge carriers between high and low-temperature metal electrodes to develop electrical potential due to charge transport in conducting polymer film through metal/polymer interface. Therefore, the metal/polymer/metal structure presents a new design to combine inorganic metals and organic polymers in thin-film form to develop Seebeck devices

  16. 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.

  17. 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

  18. 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.

  19. 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.

  20. 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.

  1. A Conceptual Framework for Progressing Towards Sustainability...

    Open Energy Info (EERE)

    Progressing Towards Sustainability in the Agriculture and Food Sector Jump to: navigation, search Tool Summary LAUNCH TOOL Name: A Conceptual Framework for Progressing Towards...

  2. Appropriate use of Green Manufacturing Frameworks

    E-Print Network [OSTI]

    Reich-Weiser, Corinne; Vijayaraghavan, Athulan; Dornfeld, David

    2010-01-01T23:59:59.000Z

    for Implementing Green Manufacturing,” Trans. North AmericanAppropriate use of Green Manufacturing Frameworks C. Reich-for sustainable or green manufacturing systems and products,

  3. Draft Energy Sector Cybersecurity Framework Implementation Guidance...

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

    and Technology (NIST) released a Cybersecurity Framework. DOE has collaborated with private sector stakeholders through the Electricity Subsector Coordinating Council (ESCC)...

  4. A Surrogate Management Framework Using Rigorous Trust ...

    E-Print Network [OSTI]

    2011-03-24T23:59:59.000Z

    Mar 24, 2011 ... gate management frameworks, both in algorithmic design and in the ... Part of this work was developed while this author was visiting.

  5. Gas sensor incorporating a porous framework

    DOE Patents [OSTI]

    Yaghi, Omar M; Czaja, Alexander U; Wang, Bo; Galatsis, Kosmas; Wang, Kang L; Furukawa, Hiroyasu

    2014-05-27T23:59:59.000Z

    The disclosure provides sensor for gas sensing including CO.sub.2 gas sensors comprising a porous framework sensing area for binding an analyte gas.

  6. Gas sensor incorporating a porous framework

    SciTech Connect (OSTI)

    Yaghi, Omar M.; Czaja, Alexander U.; Wang, Bo; Furukawa, Hiroyasu; Galatsis, Kosmas; Wang, Kang L.

    2013-07-09T23:59:59.000Z

    The disclosure provides sensor for gas sensing including CO.sub.2 gas sensors comprising a porous framework sensing area for binding an analyte gas.

  7. Bioenergy Knowledge Discovery Framework Recognized at National...

    Energy Savers [EERE]

    Knowledge Discovery Framework (KDF) is bringing together the bioenergy community through Web-based tools, and was presented by Bioenergy KDF team members from Oak Ridge National...

  8. Energy Sector Cybersecurity Framework Implementation Guidance

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

    JANUARY 2015 ENERGY SECTOR CYBERSECURITY FRAMEWORK IMPLEMENTATION GUIDANCE U.S. DEPARTMENT OF ENERGY OFFICE OF ELECTRICITY DELIVERY AND ENERGY RELIABILITY Energy Sector...

  9. Energy Sector Cybersecurity Framework Implementation Guidance...

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

    Technology (NIST) released a Cybersecurity Framework. DOE has collaborated with private sector stakeholders through the Electricity Subsector Coordinating Council (ESCC) and the...

  10. 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.

  11. Testing of organic acids in engine coolants

    SciTech Connect (OSTI)

    Weir, T.W. [ARCO Chemical Co., Newtown Square, PA (United States)

    1999-08-01T23:59:59.000Z

    The effectiveness of 30 organic acids as inhibitors in engine coolants is reported. Tests include glassware corrosion of coupled and uncoupled metals. FORD galvanostatic and cyclic polarization electrochemistry for aluminum pitting, and reserve alkalinity (RA) measurements. Details of each test are discussed as well as some general conclusions. For example, benzoic acid inhibits coupled metals well but is ineffective on cast iron when uncoupled. In benzoic acid inhibits coupled metals well but is ineffective on cast iron when uncoupled. In general, the organic acids provide little RA when titrated to a pH of 5.5, titration to a pH of 4.5 can result in precipitation of the acid. Trends with respect to acid chain length are reported also.

  12. 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...

  13. 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.

  14. Zn Speciation in the Organic Horizon of a Contaminated Soil by

    E-Print Network [OSTI]

    , MS 6-2100, Berkeley, California 94720 Soils that have been acutely contaminated by heavy metals show to metal toxicity (5). Similar organic layers have been reported in many other contaminated sites (6 distinct characteristics, such as colonization by metal-tolerant plant species and topsoil enrichment

  15. Lessons Learned in Framework-Based Software Process Improvement Pankaj Jalote

    E-Print Network [OSTI]

    Jalote, Pankaj

    frameworks for SPI are the Capability Maturity Model (CMM) for software [18] and ISO9001 [12, 13]. Currently description of an implementation of the CMM in an organization is given in [14]. Though the CMM and ISO have are based on the experience of the author in implementing a CMM-based SPI program in a large software

  16. Project Information Form Project Title Working toward a policy framework for reducing greenhouse gas

    E-Print Network [OSTI]

    California at Davis, University of

    Provided (by each agency or organization) US DOT $37,874 Total Project Cost $37,874 Agency ID or ContractProject Information Form Project Title Working toward a policy framework for reducing greenhouse of Research Project This white paper is concerned with a preliminary investigation of the extent to which

  17. Towards a Generic Context-Aware Framework for Self-Adaptation of Service-Oriented Architectures

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Towards a Generic Context-Aware Framework for Self-Adaptation of Service-Oriented Architectures context-aware frame- work to build self-organizing service-oriented architectures for cloud computing Application (SBA) is a software architecture where the basic element is the service, performing a single

  18. Towards an Automatic Metadata Management Framework for Smart Oil Charalampos Chelmis1

    E-Print Network [OSTI]

    Prasanna, Viktor K.

    of the oil exploration process in the oil industry. Our system is capable of annotating models and images. 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

  19. Method and apparatus for the production of metal oxide powder

    DOE Patents [OSTI]

    Harris, Michael T. (Knoxville, TN); Scott, Timothy C. (Knoxville, TN); Byers, Charles H. (Oak Ridge, TN)

    1993-01-01T23:59:59.000Z

    The present invention provides a method for preparing metal oxide powder. A first solution, which is substantially organic, is prepared. A second solution, which is an aqueous solution substantially immiscible in the first solution, is prepared and delivered as drops to the first solution. The drops of the second solution are atomized by a pulsed electric field forming micro-drops of the second solution. Reagents in the first solution diffuse into and react with reactants in the micro-drops of the second solution forming metal hydroxide or oxalate particles. The metal hydroxide or metal oxalate particles are then recovered and dried to produce the metal oxide powder. An apparatus for preparing a metal oxide powder is also disclosed.

  20. Method and apparatus for the production of metal oxide powder

    DOE Patents [OSTI]

    Harris, Michael T. (Knoxville, TN); Scott, Timothy C. (Knoxville, TN); Byers, Charles H. (Oak Ridge, TN)

    1992-01-01T23:59:59.000Z

    The present invention provides a method for preparing metal oxide powder. A first solution, which is substantially organic, is prepared. A second solution, which is an aqueous solution substantially immiscible in the first solution, is prepared and delivered as drops to the first solution. The drops of the second solution are atomized by a pulsed electric field forming micro-drops of the second solution. Reagents in the first solution diffuse into and react with reactants in the micro-drops of the second solution forming metal hydroxide or oxalate particles. The metal hydroxide or metal oxalate particles are then recovered and dried to produce the metal oxide powder. An apparatus for preparing a metal oxide powder is also disclosed.

  1. Method and apparatus for the production of metal oxide powder

    DOE Patents [OSTI]

    Harris, M.T.; Scott, T.C.; Byers, C.H.

    1992-06-16T23:59:59.000Z

    The present invention provides a method for preparing metal oxide powder. A first solution, which is substantially organic, is prepared. A second solution, which is an aqueous solution substantially immiscible in the first solution, is prepared and delivered as drops to the first solution. The drops of the second solution are atomized by a pulsed electric field forming micro-drops of the second solution. Reagents in the first solution diffuse into and react with reactants in the micro-drops of the second solution forming metal hydroxide or oxalate particles. The metal hydroxide or metal oxalate particles are then recovered and dried to produce the metal oxide powder. An apparatus for preparing a metal oxide powder is also disclosed. 2 figs.

  2. Demand Response Valuation Frameworks Paper

    SciTech Connect (OSTI)

    Heffner, Grayson

    2009-02-01T23:59:59.000Z

    While there is general agreement that demand response (DR) is a valued component in a utility resource plan, there is a lack of consensus regarding how to value DR. Establishing the value of DR is a prerequisite to determining how much and what types of DR should be implemented, to which customers DR should be targeted, and a key determinant that drives the development of economically viable DR consumer technology. Most approaches for quantifying the value of DR focus on changes in utility system revenue requirements based on resource plans with and without DR. This ''utility centric'' approach does not assign any value to DR impacts that lower energy and capacity prices, improve reliability, lower system and network operating costs, produce better air quality, and provide improved customer choice and control. Proper valuation of these benefits requires a different basis for monetization. The review concludes that no single methodology today adequately captures the wide range of benefits and value potentially attributed to DR. To provide a more comprehensive valuation approach, current methods such as the Standard Practice Method (SPM) will most likely have to be supplemented with one or more alternative benefit-valuation approaches. This report provides an updated perspective on the DR valuation framework. It includes an introduction and four chapters that address the key elements of demand response valuation, a comprehensive literature review, and specific research recommendations.

  3. Cellular Energy Efficiency Evaluation Framework (Invited Paper)

    E-Print Network [OSTI]

    Stevenson, Paul

    Cellular Energy Efficiency Evaluation Framework (Invited Paper) Gunther Auer, Vito Giannini, Istv, the power consumption of the entire system needs to be captured and an appropriate energy efficiency evaluation frameworks are discussed, such that the energy efficiency of the entire network comprising

  4. Freight Analysis Framework version 3 (FAF3)

    E-Print Network [OSTI]

    Freight Analysis Framework version 3 (FAF3) Oak Ridge National Laboratory managed by UT Technologies Research Brief T he Freight Analysis Framework version 3 (FAF3) database is a Federal Highway data to enable users to perform train analysis. FAF3 Geography Figure 1 shows the analysis regions

  5. A FRAMEWORK FOR MEASURING SUPERCOMPUTER PRODUCTIVITY1

    E-Print Network [OSTI]

    Bader, David A.

    A FRAMEWORK FOR MEASURING SUPERCOMPUTER PRODUCTIVITY1 10/30/2003 Marc Snir2 and David A. Bader3 Abstract We propose a framework for measuring the productivity of High Performance Computing (HPC) systems, based on common economic definitions of productivity and on Utility Theory. We discuss how

  6. UNITED NATIONS FRAMEWORK CONVENTION ON CLIMATE CHANGE

    E-Print Network [OSTI]

    Laughlin, Robert B.

    UNITED NATIONS FRAMEWORK CONVENTION ON CLIMATE CHANGE UNITED NATIONS 1992 FCCC/INFORMAL/84 GE.05-62220 (E) 200705 #12;UNITED NATIONS FRAMEWORK CONVENTION ON CLIMATE CHANGE The Parties to this Convention in predictions of climate change, particularly with regard to the timing, magnitude and regional patterns thereof

  7. Bibliography on Logical Frameworks Frank Pfenning

    E-Print Network [OSTI]

    Pfenning, Frank

    is a formal meta-language for deductive systems. The pri* *mary tasks sup- ported in logical frameworks, New Jersey, Jul* *y 1996. IEEE Computer Society Press. [7]Penny Anderson. Program Derivation as Technical Report CMU-CS-93-206. [8]Penny Anderson. Program extraction in a logical framework setting

  8. 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

  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. 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...

  11. Beyond Traditional Four-Connected Zeolitic Frameworks: Design, Syntheses and Characterization of Porous Zeolitic Imidazolate Frameworks and Open-Framework Metal Chalcogenides

    E-Print Network [OSTI]

    Wu, Tao

    2011-01-01T23:59:59.000Z

    density MOFs as on-board hydrogen storage materials, in partas gas separations and storage (hydrogen, methane and carbonstorage, separation, and substrate for catalytic reaction. Beside certain hydrogen

  12. Beyond Traditional Four-Connected Zeolitic Frameworks: Design, Syntheses and Characterization of Porous Zeolitic Imidazolate Frameworks and Open-Framework Metal Chalcogenides

    E-Print Network [OSTI]

    Wu, Tao

    2011-01-01T23:59:59.000Z

    Y; Tan, K. ; Koch, S. ; Parise, J. B. Chem. Comm. 1995, (71)Y; Hanson J. C. ; Tan, K. ; Parise, J. B. Chem. Mater. (73)2027. (76) Cahill, C. L. ; Parise, J. B. Chem. Mater. 1997,

  13. 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

  14. Silicon metal-semiconductor-metal photodetector

    DOE Patents [OSTI]

    Brueck, Steven R. J. (Albuquerque, NM); Myers, David R. (Albuquerque, NM); Sharma, Ashwani K. (Albuquerque, NM)

    1997-01-01T23:59:59.000Z

    Silicon MSM photodiodes sensitive to radiation in the visible to near infrared spectral range are produced by altering the absorption characteristics of crystalline Si by ion implantation. The implantation produces a defected region below the surface of the silicon with the highest concentration of defects at its base which acts to reduce the contribution of charge carriers formed below the defected layer. The charge carriers generated by the radiation in the upper regions of the defected layer are very quickly collected between biased Schottky barrier electrodes which form a metal-semiconductor-metal structure for the photodiode.

  15. Silicon metal-semiconductor-metal photodetector

    DOE Patents [OSTI]

    Brueck, Steven R. J. (Albuquerque, NM); Myers, David R. (Albuquerque, NM); Sharma, Ashwani K. (Albuquerque, NM)

    1995-01-01T23:59:59.000Z

    Silicon MSM photodiodes sensitive to radiation in the visible to near infrared spectral range are produced by altering the absorption characteristics of crystalline Si by ion implantation. The implantation produces a defected region below the surface of the silicon with the highest concentration of defects at its base which acts to reduce the contribution of charge carriers formed below the defected layer. The charge carriers generated by the radiation in the upper regions of the defected layer are very quickly collected between biased Schottky barrier electrodes which form a metal-semiconductor-metal structure for the photodiode.

  16. Framework for Certification of Fish Propagation, Protection and Monitoring Facilities. Final Report.

    SciTech Connect (OSTI)

    Carlson, Thomas J.; Costello, Ronald J.

    1997-06-01T23:59:59.000Z

    A conceptual framework for certification of fish production and monitoring facilities including software templates to expedite implementation of the framework are presented. The framework is based on well established and widely utilized project management techniques. The implementation templates are overlays for Microsoft Professional Office software products: Excel, Word, and Project. Use of the software templates requires Microsoft Professional Office. The certification framework integrates two classical project management processes with a third process for facility certification. These processes are: (1) organization and definition of the project, (2) acquisition and organization of project documentation, and (3) facility certification. The certification process consists of systematic review of the production processes and the characteristics of the produced product. The criteria for certification review are the plans and specifications for the products and production processes that guided development of the facility. The facility is certified when the production processes are operating as designed and the product produced meets specifications. Within this framework, certification is a performance based process, not dissimilar from that practiced in many professions and required for many process, or a product meets professional/industry standards of performance. In the case of fish production facilities, the certifying authority may be diffuse, consisting of many entities acting through a process such as NEPA. A cornerstone of certification is accountability, over the long term, for the operation and products of a facility. This is particularly important for fish production facilities where the overall goal of the facility may require decades to accomplish.

  17. Gas: A Neglected Phase in Remediation of Metals and Radionuclides

    SciTech Connect (OSTI)

    Denham, Miles E.; Looney, Brian B

    2005-09-28T23:59:59.000Z

    The gas phase is generally ignored in remediation of metals and radionuclides because it is assumed that there is no efficient way to exploit it. In the literal sense, all remediations involve the gas phase because this phase is linked to the liquid and solid phases by vapor pressure and thermodynamic relationships. Remediation methods that specifically use the gas phase as a central feature have primarily targeted volatile organic contaminants, not metals and radionuclides. Unlike many organic contaminants, the vapor pressure and Henry's Law constants of metals and radionuclides are not generally conducive to direct air stripping of dissolved contaminants. Nevertheless, the gas phase can play an important role in remediation of inorganic contaminants and provide opportunities for efficient, cost effective remediation. The objective here is to explore ways in which manipulation of the gas phase can be used to facilitate remediation of metals and radionuclides.

  18. STFC Economic Impact Reporting Framework 2009/10 Economic Impact

    E-Print Network [OSTI]

    STFC Economic Impact Reporting Framework 2009/10 Economic Impact Reporting Framework 2009/10 #12;STFC Economic Impact Reporting Framework 2009/10 Economic Impact Reporting Framework 2009/10 #12;STFC Economic Impact Reporting Framework 2009/10 1 Contents: Introduction

  19. 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.

  20. PHYTOEXTRACTION OF HEAVY METALS

    E-Print Network [OSTI]

    Blouin-Demers, Gabriel

    ) Type of phytoremediation Cost effective form of environmental remediation (Glass 1999) Chelating Agents: desorb heavy metals from soil matrix and form water-soluble metal complexes (Shen et al -using hyperaccumulator plant biomass to produce a bio-ore for commercial use -Li et al. look at using Ni

  1. 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.

  2. 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.

  3. Introducing Metal Atoms to Organic Solar Cell Materials

    E-Print Network [OSTI]

    Katsumoto, Shingo

    ... Advantage! · Light weight! · Flexible! · Printable Disadvantage! · Low power conversion efficiency (PCE)! For Improvement of PCE! Long wavelength absorption! High mobility! Efficient charge separation ó Light h+ e­ #12. et al. Nat. Commun. 2013, 4, 1446. Power conversion efficiency (PCE): 9.2% Ph O OMe Ph O OMe S Hexyl

  4. Chemistry and Applications of Metal-Organic Materials

    E-Print Network [OSTI]

    Zhao, Dan

    2012-02-14T23:59:59.000Z

    -Fluorouracil ANG Adsorbed Natural Gas BDC Benzenedicarboxylate BET Brunauer, Emmett and Teller BTC 1,3,5-Benzenetricarboxylate CCS Carbon Capture and Sequestration CNG Compressed Natural Gas DEF Diethyl Formamide DLS Dynamic Light Scattering DMA...

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

    E-Print Network [OSTI]

    Park, Jinhee

    2013-04-19T23:59:59.000Z

    of conformation of the azobenzene groups inside the pores. The adsorbent returned to its original state when allowed to stay with gentle heating. In addition, solubility of srMOPs was optically controlled by trans-cis isomerization of the azobenzene moieties...

  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. Metal oxide/organic interface investigations for photovoltaic devices

    E-Print Network [OSTI]

    Pachoumi, Olympia

    2014-10-07T23:59:59.000Z

    summarises work I have carried out as a PhD student of the Optoelectronics Group at Cavendish Laboratory of the University of Cambridge since October 2010. I am thankful to the Engineering and Physical Sciences Research Council and the A.G. Leventis... are often used in many other optoelectronic devices such as photovoltaics and light emitting diodes. Sufficiently conducting oxides with the appropriate electron affinities and ionisation potentials, can be employed as charge transport and injection layers...

  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. 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 ...

  10. Metal Organic Heat Carriers for Enhanced Geothermal Systems

    Broader source: Energy.gov [DOE]

    DOE Geothermal Program Peer Review 2010 - Presentation. This project addresses Energy Conversion Barrier N -Inability to lower the temperature conditions under which EGS power generation is commercially viable.

  11. 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 on Google Bookmark EERE: Alternative Fuels Data Center Home5b9fcbce19 NoPublic Utilities Address:011-DNA Jump to:52c8ff988c1Dering Harbor, New York:Supercritical CO2 and Fluid,Geothermal

  12. Lewis Acid-Base Interactions between Polysulfides and 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: VegetationEquipment Surfaces and Interfaces Sample6, 2011 LawrenceE C HLesterDepartment of

  13. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest RegionatSearchScheduled System Burst Buffer ArchiveSuppliers Suppliers We

  14. Sandia National Laboratories: metal organic chemical vapor deposition

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear Security Administration the1developmentturbine bladelifetime is the cumulativeissues

  15. 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 Data Center Home Page on Delicious Rank EERE:YearRound-UpHeatMulti-Dimensional Subject:Ground Hawaii HIGH PERFORMANCE andHighWellsfor Military

  16. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation InInformationCenterResearch HighlightsTools PrintableCARIBUAuthorCausalityAwardResponsive

  17. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation InInformationCenterResearch HighlightsToolsBESEnergy Department to

  18. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest Region service area. The Desert

  19. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: VegetationEquipment Surfaces andMapping theEnergy StorageAdvanced Materials Advanced

  20. Constructibility review process framework for transportation facilities

    E-Print Network [OSTI]

    Liman, Majed

    1995-01-01T23:59:59.000Z

    Constructibility is the optimum use of construction knowledge and experience in planning, design, procurement, and field operations in order to achieve overall project objectives ("Constructibility: a primer" 1986). This Thesis presents a framework...