Sample records for file transfer electronic

  1. An examination of electronic file transfer between host and microcomputers for the AMPMODNET/AIMNET (Army Material Plan Modernization Network/Acquisition Information Management Network) classified network environment

    SciTech Connect (OSTI)

    Hake, K.A.

    1990-11-01T23:59:59.000Z

    This report presents the results of investigation and testing conducted by Oak Ridge National Laboratory (ORNL) for the Project Manager -- Acquisition Information Management (PM-AIM), and the United States Army Materiel Command Headquarters (HQ-AMC). It concerns the establishment of file transfer capabilities on the Army Materiel Plan Modernization (AMPMOD) classified computer system. The discussion provides a general context for micro-to-mainframe connectivity and focuses specifically upon two possible solutions for file transfer capabilities. The second section of this report contains a statement of the problem to be examined, a brief description of the institutional setting of the investigation, and a concise declaration of purpose. The third section lays a conceptual foundation for micro-to-mainframe connectivity and provides a more detailed description of the AMPMOD computing environment. It gives emphasis to the generalized International Business Machines, Inc. (IBM) standard of connectivity because of the predominance of this vendor in the AMPMOD computing environment. The fourth section discusses two test cases as possible solutions for file transfer. The first solution used is the IBM 3270 Control Program telecommunications and terminal emulation software. A version of this software was available on all the IBM Tempest Personal Computer 3s. The second solution used is Distributed Office Support System host electronic mail software with Personal Services/Personal Computer microcomputer e-mail software running with IBM 3270 Workstation Program for terminal emulation. Test conditions and results are presented for both test cases. The fifth section provides a summary of findings for the two possible solutions tested for AMPMOD file transfer. The report concludes with observations on current AMPMOD understanding of file transfer and includes recommendations for future consideration by the sponsor.

  2. GNU Radio & USRPGNU Radio & USRP File transfer through WirelessFile transfer through Wireless

    E-Print Network [OSTI]

    Yu, Chansu

    1 GNU Radio & USRPGNU Radio & USRP File transfer through WirelessFile transfer through WirelessSachin Hirve April 30, 2008April 30, 2008 Contents:Contents: What is Software Radio?What is Software Radio? USRPUSRP ­­ MultiMulti--functional hardwarefunctional hardware GNU RadioGNU Radio Previous Work

  3. Argonne integrated heterogeneous file transfer network

    SciTech Connect (OSTI)

    Schofield, J.

    1984-01-01T23:59:59.000Z

    This presentation describes the computing environment at Argonne National Laboratory and the actions underway to implement a coherent hierarchy of computing systems connected through a heterogeneous file transfer network. A major goal of the Computing Services Division is to integrate heterogeneous computing elements incrementally into a nework, with the goal of having everything somehow connected to everything else. Using standard IBM networking protocols, we have already built a full-function computer-to-computer file transfer network of IBM and DEC VAX systems. Currently, the users on the IBM MVS and VM/CMS systems can use standard IBM commands to send files and mail to DEC VAX users and output devices, and they can receive files from the DEC VAX's as if they had been sent from other IBM systems; similarly, the DEC VAX users can use standard DEC commands to send files and mail to IBM users and output devices, and they can receive files from the IBM systems as if they had been sent from other DEC VAX systems. In fact, the VAXes can exchange files and mail among themselves via the IBM NJE-based network without the need for DECnet links between the VAXes. Because this integrated heterogeneous file transfer network uses the standard IBM peer-to-peer communications protocol, all of the Laboratory's IBM and DEC computers easily communicate with the approximately 170 other computers in the Bitnet university network. Plans call for further integration of existing HP 3000 systems and future word processing systems such as Exxon, NBI, or Wang; we believe it is vitally important to provide smooth paths into this network for users of personal desktop computers. 17 references.

  4. Proton-Coupled Electron Transfer

    SciTech Connect (OSTI)

    Weinberg, Dave; Gagliardi, Christopher J.; Hull, Jonathan F; Murphy, Christine Fecenko; Kent, Caleb A.; Westlake, Brittany C.; Paul, Amit; Ess, Daniel H; McCafferty, Dewey Granville; Meyer, Thomas J

    2012-01-01T23:59:59.000Z

    Proton-Coupled Electron Transfer (PCET) describes reactions in which there is a change in both electron and proton content between reactants and products. It originates from the influence of changes in electron content on acid?base properties and provides a molecular-level basis for energy transduction between proton transfer and electron transfer. Coupled electron?proton transfer or EPT is defined as an elementary step in which electrons and protons transfer from different orbitals on the donor to different orbitals on the acceptor. There is (usually) a clear distinction between EPT and H-atom transfer (HAT) or hydride transfer, in which the transferring electrons and proton come from the same bond. Hybrid mechanisms exist in which the elementary steps are different for the reaction partners. EPT pathways such as PhO/PhOH exchange have much in common with HAT pathways in that electronic coupling is significant, comparable to the reorganization energy with H{sub DA} ~ ?. Multiple-Site Electron?Proton Transfer (MS-EPT) is an elementary step in which an electron?proton donor transfers electrons and protons to different acceptors, or an electron?proton acceptor accepts electrons and protons from different donors. It exploits the long-range nature of electron transfer while providing for the short-range nature of proton transfer. A variety of EPT pathways exist, creating a taxonomy based on what is transferred, e.g., 1e{sup -}/2H{sup +} MS-EPT. PCET achieves redox potential leveling between sequential couples and the buildup of multiple redox equivalents, which is of importance in multielectron catalysis. There are many examples of PCET and pH-dependent redox behavior in metal complexes, in organic and biological molecules, in excited states, and on surfaces. Changes in pH can be used to induce electron transfer through films and over long distances in molecules. Changes in pH, induced by local electron transfer, create pH gradients and a driving force for long-range proton transfer in Photosysem II and through other biological membranes. In EPT, simultaneous transfer of electrons and protons occurs on time scales short compared to the periods of coupled vibrations and solvent modes. A theory for EPT has been developed which rationalizes rate constants and activation barriers, includes temperature- and driving force (?G)-dependences implicitly, and explains kinetic isotope effects. The distance-dependence of EPT is dominated by the short-range nature of proton transfer, with electron transfer being far less demanding.Changes in external pH do not affect an EPT elementary step. Solvent molecules or buffer components can act as proton donor acceptors, but individual H2O molecules are neither good bases (pK{sub a}(H{sub 3}O{sup +}) = ?1.74) nor good acids (pK{sub a}(H{sub 2}O) = 15.7). There are many examples of mechanisms in chemistry, in biology, on surfaces, and in the gas phase which utilize EPT. PCET and EPT play critical roles in the oxygen evolving complex (OEC) of Photosystem II and other biological reactions by decreasing driving force and avoiding high-energy intermediates.

  5. Instructions for transmitting Collector files to KFS In order for a department's KFS Collector file to be processed, departments must transfer the file to an

    E-Print Network [OSTI]

    Stephens, Graeme L.

    Instructions for transmitting Collector files to KFS In order for a department's KFS Collector file. The name of the KFS Collector file transferred to the Information Systems server by each department should in .xml. Once a department's Collector file has been processed by KFS it will be removed from

  6. Engineering nanocarbon interfaces for electron transfer

    E-Print Network [OSTI]

    Hilmer, Andrew J. (Andrew Joseph)

    2013-01-01T23:59:59.000Z

    Electron-transfer reactions at nanometer-scale interfaces, such as those presented by single-walled carbon nanotubes (SWCNTs), are important for emerging optoelectronic and photovoltaic technologies. Electron transfer also ...

  7. Three Tier Encryption Algorithm For Secure File Transfer

    E-Print Network [OSTI]

    Balakrishnan, Bhargav

    2011-01-01T23:59:59.000Z

    This encryption algorithm is mainly designed for having a secure file transfer in the low privilege servers and as well as in a secured environment too. This methodology will be implemented in the data center and other important data transaction sectors of the organisation where the encoding process of the software will be done by the database administrator or system administrators and his trusted clients will have decoding process of the software. This software will not be circulated to the unauthorised customers.

  8. Vectorial electron transfer in spatially ordered arrays

    SciTech Connect (OSTI)

    Fox, M.A.

    1993-02-01T23:59:59.000Z

    Progress was made on synthesis of new materials for directional electron transfer (block copolymers and helical oligopeptides), preparation and characterization of anisotropic composites bearing organics and inorganics, electrocatalysis (redox-activated catalysts), and surface modifications of metals and semiconductors.

  9. Molecular Dynamics Investigation of Ferrous-Ferric Electron Transfer...

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

    Electron Transfer in a Hydrolyzing Aqueous Solution: Calculation of the pH Molecular Dynamics Investigation of Ferrous-Ferric Electron Transfer in a Hydrolyzing Aqueous Solution:...

  10. Redox-linked conformation change and electron transfer between...

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

    processes, including electron transfer from dissimilatory metal-reducing bacteria to minerals. One of the pathways that could trigger electron transfer between proteins and...

  11. Intermittent Single-Molecule Interfacial Electron Transfer Dynamics...

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

    Intermittent Single-Molecule Interfacial Electron Transfer Dynamics. Intermittent Single-Molecule Interfacial Electron Transfer Dynamics. Abstract: We report on single molecule...

  12. Single Molecule Spectroscopy of Electron Transfer

    SciTech Connect (OSTI)

    Michael Holman; Ling Zang; Ruchuan Liu; David M. Adams

    2009-10-20T23:59:59.000Z

    The objectives of this research are threefold: (1) to develop methods for the study electron transfer processes at the single molecule level, (2) to develop a series of modifiable and structurally well defined molecular and nanoparticle systems suitable for detailed single molecule/particle and bulk spectroscopic investigation, (3) to relate experiment to theory in order to elucidate the dependence of electron transfer processes on molecular and electronic structure, coupling and reorganization energies. We have begun the systematic development of single molecule spectroscopy (SMS) of electron transfer and summaries of recent studies are shown. There is a tremendous need for experiments designed to probe the discrete electronic and molecular dynamic fluctuations of single molecules near electrodes and at nanoparticle surfaces. Single molecule spectroscopy (SMS) has emerged as a powerful method to measure properties of individual molecules which would normally be obscured in ensemble-averaged measurement. Fluctuations in the fluorescence time trajectories contain detailed molecular level statistical and dynamical information of the system. The full distribution of a molecular property is revealed in the stochastic fluctuations, giving information about the range of possible behaviors that lead to the ensemble average. In the case of electron transfer, this level of understanding is particularly important to the field of molecular and nanoscale electronics: from a device-design standpoint, understanding and controlling this picture of the overall range of possible behaviors will likely prove to be as important as designing ia the ideal behavior of any given molecule.

  13. Group transfer and electron transfer reactions of organometallic complexes

    SciTech Connect (OSTI)

    Atwood, J.D.

    1994-12-01T23:59:59.000Z

    During 1994, despite the disruptions, the authors have made progress in several aspects of their research on electron transfer reactions between organometallic complexes. This summary covers three areas that are relatively complete: (1) reactions between metal carbonyl anions and metal carbonyl halides, (2) reactions of hydrido- and alkyl-containing anions (RFe(CO){sup {minus}}{sub 4} and RW (CO){sub 5}{sup {minus}}) with metal carbonyl cations and (3) reactions of a seventeen-electron complex (Cp{asterisk}Cr(CO){sub 3}{lg_bullet}) with metal carbonyl derivatives. Two areas of examination that have just begun (possible carbene transfer and the possible role of metal carbonyl anions in carbon-hydrogen bond activation) will also be described.

  14. EIA-176 Electronic Filing System (EFS)

    Gasoline and Diesel Fuel Update (EIA)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for On-Highway4,1,50022,3,,,,6,1,9,1,50022,3,,,,6,1,Decade Year-0 Year-1InformationDieselAnnual EnergyAlabamaEIA-176 Electronic

  15. Photoinduced electron transfer reactions in zeolite cages

    SciTech Connect (OSTI)

    Dutta, P.K.

    1992-01-01T23:59:59.000Z

    This report summarizes work in the two areas of zeolites and layered double hydroxides. Results of studies on structural aspects of Ru(bpy)[sub 3][sup 2+]-zeolite Y are summarized. Photoinduced electron transfer between entrapped Ru(bpy)[sub 3][sup 2+] and methylviologen (MV) in neighboring supercages was examined. Benzylviologen was also used. Since molecules larger than 13 [angstrom] cannot be accomodated in zeolite cages, the layered double metal hydroxides (LDH) LiAl[sub 2](OH)[sub 6][sup +]X[sup [minus

  16. Comparing the Primary Electron Transfer Process in Organic Photovoltai...

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

    Comparing the Primary Electron Transfer Process in Organic Photovoltaic Heterojunctions with Photosynthetic Reaction Centers October 4, 2011 at 3pm36-428 Garry Rumbles National...

  17. Exploring Electron Transfer in Organic Semiconductors | MIT-Harvard...

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

    Electron Transfer in Organic Semiconductors January 28, 2009 at 3pm36-428 Troy Van Voorhis Department of Chemistry, Massachusetts Institute of Technology vanvoorhis2000 abstract:...

  18. Electron transfer reactions in microporous solids

    SciTech Connect (OSTI)

    Mallouk, T.E.

    1992-05-01T23:59:59.000Z

    We have studied electron transfer quenching of the excited state of Ru(bpy){sub 3}{sup 2+} in aqueous suspensions of zeolites Y, L, and mordenite. The internal pore network of the zeolite is ion-exchanged with methylviologen cations, which quench the excited state of the surface-bound sensitizer. A detailed study of the quenching and charge recombination kinetics, using time-resolved luminescence quenching and transient diffuse reflectance spectroscopies, shows to remarkable effects: first, the excited state quenching is entirely dynamic is large-pore zeolites (L and Y), even when they are prepared as apparently dry'' powders (which still contain significant amounts of internally sited water). Second, a lower limit for the diffusion coefficient of the MV{sup 2+} ion in these zeolites, determined by this technique, is 10{sup {minus}7} cm{sup 2}sec, i.e., only about one order of magnitude slower than a typical ion in liquid water, and 2--3 orders of magnitude faster than charge transfer diffusion of cations in polyelectrolyte films or membranes such as Nafion. Surface sensitization of internally platinized layered oxide semiconductors such as K{sub 4-x}H{sub x}Nb{sub 6}O{sub 17}{center dot}nH{sub 2}O (x {approx} 2.5) yields photocatalysts for the production of H{sub 2} and I{sub 3{minus}} in aqueous iodide solutions. Layered alkali niobates and titanates form a class of zeolitic wide-bandap semiconductors, and are the first examples of photocatalysts that evolve hydrogen from an electrochemically reversible (i.e., non-sacrificial) electron donor with visible light excitation.

  19. Electron transfer and protein engineering studies of the soluble methane monooxygenase from Methylococcus capsulatus (Bath)

    E-Print Network [OSTI]

    Blazyk, Jessica L. (Jessica Lee), 1974-

    2003-01-01T23:59:59.000Z

    Chapter 1. Introduction: Electron Transfer in Biological Systems In many biological processes, including oxidative phosphorylation and photosynthesis, electron transfer reactions play vital roles. Electrons must be transported ...

  20. Microsoft PowerPoint - File Transfer-Turner

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville PowerCherries 82981-1cnHighand Retrievals fromprocessEstimating forcloudTomTransfer Best Practices

  1. Frontier orbital symmetry control of intermolecular electron transfer. Final report, September 15, 1988--December 31, 1994

    SciTech Connect (OSTI)

    Stevens, B.

    1997-07-01T23:59:59.000Z

    This report discusses the following topics: the recovery of intermolecular transfer parameters from fluorescence quenching in liquids; photoinduced intramolecular electron transfer in flexible donor/space/acceptor systems containing an extended unsaturated spacer; electron transfer sensitized reaction; the recovery of solute and fractal dimensions from electron transfer quenching data; and frontier orbital symmetry control of back electron transfer.

  2. Global electronic funds transfer between small and medium sized companies

    E-Print Network [OSTI]

    Stovall, Shawn Eric

    2006-01-01T23:59:59.000Z

    Cross-border electronic funds transfer is a rapidly expanding field for business and consumer payments. Large multi-national corporations have been able to invest the capital necessary to create infrastructures or work ...

  3. Monitoring Long-Range Electron Transfer Pathways in Proteins...

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

    structure and should offer a novel window for long-range ET. Citation: Zhang Y, J Biggs, N Govind, and S Mukamel.2014."Monitoring Long-Range Electron Transfer Pathways in...

  4. Electron Transfer DOI: 10.1002/anie.200603822

    E-Print Network [OSTI]

    Borguet, Eric

    to areas such as molecular electronics, electro- chemistry, biology, catalysis, information storage, and solar- energy conversion.[14] Therefore, understanding interfacial electron transfer between molecules electrode. [*] Y. He, Prof. E. Borguet Department of Chemistry Temple University Philadelphia, PA 19122 (USA

  5. Electron transfer reactions in microporous solids

    SciTech Connect (OSTI)

    Mallouk, T.E.

    1993-01-01T23:59:59.000Z

    Basic thrust the research program involves use of microporous solids (zeolites, clays, layered and tunnel structure oxide semiconductors) as organizing media for artificial photosynthetic systems. Purpose of the microporous solid is twofold. First, it induces spatial organization of photoactive and electroactive components (sensitizers, semiconductor particles, electron relays, and catalysts) at the solid-solution interface, enhancing the quantum efficiency of charge separation and separating physically the ultimate electron donor and acceptor in the electron transport chain. Second, since the microcrystalline solid admits only molecules of a certain charge and size, it is possible to achieve permanent charge separation by sieving chemical photoproducts (e.g., H[sub 2] and I[sub 3][sup [minus

  6. Photoinduced electron transfer processes in homogeneous and microheterogeneous solutions

    SciTech Connect (OSTI)

    Whitten, D.G.

    1992-12-01T23:59:59.000Z

    The studies have focused on rapid, efficient bond-fragmentation reactions initiated through photoinduced electron transfer. Electron transfer induced fragmentation of a number of donors have been examined, especially 1,2 diamines and related compounds. Two of the amines fragment with rate constants of 3 [times] 10[sup 8] to 2 [times] 10[sup 9] M[sup [minus]1]sec[sup [minus]1]. A series of amino-substituted pinacols and related compounds have also been examined; they undergo similar but slower fragmentation processes when converted to their cation radicals by photoinduced electron transfer. The studies with linked and polymeric electron donor- electron acceptor coupled molecules have also progressed. Several polymers containing diamine repeat units and anthraquinone or nitroaromatic acceptors have also been prepared that can be photoactivated by visible irradiation; they fragment efficiently in solution and photodegrade even in the solid state. The studies of singlet oxygen initiated fragmentation reactions of diamines, amino alcohols, and aminoketones have nearly been completed. Attention have been turned to fragmentable electron acceptors such as p- cyanobenzyl bromide; irradiation of electron donors such as methyl- or methoxy-naphthalenes can initiate efficient fragmentation of the electron deficient bromide.

  7. Photoinduced electron transfer processes in homogeneous and microheterogeneous solutions

    SciTech Connect (OSTI)

    Whitten, D.G.

    1991-10-01T23:59:59.000Z

    The focus of the work described in this report is on single electron transfer reactions of excited states which culminate in the formation of stable or metastable even electron species. For the most part the studies have involved even electron organic substrates which are thus converted photochemically to odd electron species and then at some stage reconvert to even electron products. These reactions generally fall into two rather different categories. In one set of studies we have examined reactions in which the metastable reagents generated by single electron transfer quenching of an excited state undergo novel fragmentation reactions, chiefly involving C-C bond cleavage. These reactions often culminate in novel and potentially useful chemical reactions and frequently have the potential for leading to new chemical products otherwise unaffordable by conventional reaction paths. In a rather different investigation we have also studied reactions in which single electron transfer quenching of an excited state is followed by subsequent reactions which lead reversibly to metastable two electron products which, often stable in themselves, can nonetheless be reacted with each other or with other reagents to regenerate the starting materials with release of energy. 66 refs., 9 figs., 1 tab.

  8. Electron Transfer Between Colloidal ZnO Nanocrystals

    SciTech Connect (OSTI)

    Hayoun, Rebecca; Whitaker, Kelly M.; Gamelin, Daniel R.; Mayer, James M.

    2011-03-30T23:59:59.000Z

    Colloidal ZnO nanocrystals capped with dodecylamine and dissolved in toluene can be charged photochemically to give stable solutions in which electrons are present in the conduction bands of the nanocrystals. These conduction-band electrons are readily monitored by EPR spectroscopy, with g* values that correlate with the nanocrystal sizes. Mixing a solution of charged small nanocrystals (e{sub CB}{sup -}:ZnO-S) with a solution of uncharged large nanocrystals (ZnO-L) caused changes in the EPR spectrum indicative of quantitative electron transfer from small to large nanocrystals. EPR spectra of the reverse reaction, e{sub CB}{sup -}:ZnO-L + ZnO-S, showed that electrons do not transfer from large to small nanocrystals. Stopped-flow kinetics studies monitoring the change in the UV bandedge absorption showed that reactions of 50 {micro}M nanocrystals were complete within the 5 ms mixing time of the instrument. Similar results were obtained for the reaction of charged nanocrystals with methyl viologen (MV{sup 2+}). These and related results indicate that the electron-transfer reactions of these colloidal nanocrystals are quantitative and very rapid, despite the presence of {approx}1.5 nm long dodecylamine capping ligands. These soluble ZnO nanocrystals are thus well-defined redox reagents suitable for studies of electron transfer involving semiconductor nanostructures.

  9. Vectorial electron transfer in spatially ordered arrays

    SciTech Connect (OSTI)

    Fox, M.A.

    1992-01-01T23:59:59.000Z

    Progress has been made in four areas: the synthesis of new materials for directional electron; the preparation and characterization of anisotropic composites bearing organic and inorganic components; the elaboration of mechanisms of electrocatalysis; and the development of new methods for surface modification of metals and semiconductors.

  10. Long-distance photoinitiated electron transfer through polyene molecular wires

    SciTech Connect (OSTI)

    Wasielewski, M.R.; Johnson, D.G.; Svec, W.A.; Kersey, K.M.; Cragg, D.E.; Minsek, D.W.

    1988-01-01T23:59:59.000Z

    Long-chain polyenes can be used as molecular wires to facilitate electron transfer between a photo-excited donor and an acceptor in an artificial photosynthetic system. The authors present data here on two Zn-porphyrin-polyene-anthraquinone molecules possessing either 5 or 9 all trans double bonds between the donor and acceptor, 1 and 2. The center-to-center distances between the porphyrin and the quinone in these relatively rigid molecules are 25 A for 1 and 35 A for 2. Selective picosecond laser excitation of the Zn-porphyrin in 1 and 2 results in the very rapid transfer of an electron to the anthraquinone in < 2 ps and 10 ps, respectively. The resultant radical ion pairs recombine with tau = 10 ps for 1 and tau = 25 ps for 2. The electron transfer rates remain remarkably rapid over these long distances. The involvement of polyene radical cations in the mechanism of the radical ion pair recombination reaction is clear from the transient absorption spectra of 1 and 2, which show strong absorbances in the near-infrared. The strong electronic coupling between the Zn-porphyrin and the anthraquinone provided by low-lying states of the polyene make it possible to transfer an electron rapidly over very long distances.

  11. Shewanella secretes flavins that mediate extracellular electron transfer

    E-Print Network [OSTI]

    Weiblen, George D

    to the electrode. A combination of methods identified a mixture of ribofla- vin and riboflavin-5 -phosphate in supernatants from biofilm reac- tors, with riboflavin representing the dominant component during sustained incubations (>72 h). Removal of riboflavin from biofilms reduced the rate of electron transfer to electrodes

  12. FLUID MECHANICS AND HEAT TRANSFER OF ELECTRON FLOW IN SEMICONDUCTORS

    E-Print Network [OSTI]

    Sen, Mihir

    = heat, f = LO-mode, g = LO, h = LA-mode, i = negligible, j = remote heat sink 7/ 70 #12;Heat conductionFLUID MECHANICS AND HEAT TRANSFER OF ELECTRON FLOW IN SEMICONDUCTORS Mihir Sen Department · Shallow water analogy · Vorticity dynamics · Linear stability analysis · Numerical simulations of heat

  13. Interfacial Electron Transfer into Functionalized Crystalline Polyoxotitanate Nanoclusters

    E-Print Network [OSTI]

    Coppens, Philip

    processes in a dye-sensitized solar cell. Theoretical simulations of the electron transfer of molecular adsorption are precisely defined. INTRODUCTION Dye-sensitized solar cells (DSSC) promise the dye sensitizer into the conduction band of the semiconductor substrate. Naturally, the interfaces

  14. CORRELATING ELECTRONIC AND VIBRATIONAL MOTIONS IN CHARGE TRANSFER SYSTEMS

    SciTech Connect (OSTI)

    Khalil, Munira

    2014-06-27T23:59:59.000Z

    The goal of this research program was to measure coupled electronic and nuclear motions during photoinduced charge transfer processes in transition metal complexes by developing and using novel femtosecond spectroscopies. The scientific highlights and the resulting scientific publications from the DOE supported work are outlined in the technical report.

  15. Electronic Coupling Dependence of Ultrafast Interfacial Electron Transfer

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField Campaign:INEAWater UseC Supports - Energy3Electron-Stateon

  16. Mechanistic studies of photo-induced proton-coupled electron transfer and oxygen atom transfer reactions in model systems

    E-Print Network [OSTI]

    Hodgkiss, Justin M. (Justin Mark), 1978-

    2007-01-01T23:59:59.000Z

    Time-resolved optical spectroscopy has been employed for mechanistic studies in model systems designed to undergo photo-induced proton-coupled electron transfer (PCET) and oxygen atom transfer (OAT) reactions, both of which ...

  17. Spectroscopic investigation of photo-induced proton-coupled electron transfer and Dexter energy transfer in model systems

    E-Print Network [OSTI]

    Young, Elizabeth R. (Elizabeth Renee), 1980-

    2009-01-01T23:59:59.000Z

    Spectroscopic investigations of systems designed to advance the mechanistic interrogation of photo-induced proton coupled electron transfer (PCET) and proton-coupled (through-bond) energy transfer (PCEnT) are presented. ...

  18. Inclusive electron - nucleus scattering at large momentum transfer

    SciTech Connect (OSTI)

    J. Arrington; C. S. Armstrong; T. Averett; O. K. Baker; L. de Bever; C. W. Bochna; W. Boeglin; B. Bray; R. D. Carlini; G. Collins; C. Cothran; D. Crabb; D. Day; J. A. Dunne; D. Dutta; R. Ent; B. W. Filippone; A. Honegger; E. W. Hughes; J. Jensen; J. Jourdan; C. E. Keppel; D. M. Koltenuk; R. Lindgren; A. Lung; D. J. Mack; J. McCarthy; R. D. McKeown; D. Meekins; J. H. Mitchell; H. G. Mkrtchyan; G. Niculescu; I. Niculescu; T. Petitjean; O. Rondon; I. Sick; C. Smith; B. Terburg; W. F. Vulcan; S. A. Wood; C. Yan; J. Zhao; and B. Zihlmann

    1999-03-01T23:59:59.000Z

    Inclusive electron scattering is measured with 4.045 GeV incident beam energy from C, Fe, and Au targets. The measured energy transfers and angles correspond to a kinematic range for Bjorken x>1 and momentum transfers from Q2 = 1-7 (GeV/c)2. When analyzed in terms of the y-scaling function the data show for the first time an approach to scaling for values of the initial nucleon momenta significantly greater than the nuclear matter Fermi momentum (i.e., >0.3 GeV/c).

  19. Probing Electron Transfer Dynamics at MgO Surfaces by Mg-Atom...

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

    Electron Transfer Dynamics at MgO Surfaces by Mg-Atom Desorption. Probing Electron Transfer Dynamics at MgO Surfaces by Mg-Atom Desorption. Abstract: Desorption of a weakly bound...

  20. The electron transfer system of syntrophically grown Desulfovibrio vulgaris

    SciTech Connect (OSTI)

    Walker, C.B.; He, Z.; Yang, Z.K.; Ringbauer, Jr., J.A.; He, Q.; Zhou, J.; Voordouw, G.; Wall, J.D.; Arkin, A.P.; Hazen, T.C.; Stolyar, S.; Stahl, D.A.

    2009-05-01T23:59:59.000Z

    Interspecies hydrogen transfer between organisms producing and consuming hydrogen promotes the decomposition of organic matter in most anoxic environments. Although syntrophic couplings between hydrogen producers and consumers are a major feature of the carbon cycle, mechanisms for energy recovery at the extremely low free energies of reactions typical of these anaerobic communities have not been established. In this study, comparative transcriptional analysis of a model sulfate-reducing microbe, Desulfovibrio vulgaris Hildenborough, suggested the use of alternative electron transfer systems dependent upon growth modality. During syntrophic growth on lactate with a hydrogenotrophic methanogen, D. vulgaris up-regulated numerous genes involved in electron transfer and energy generation when compared with sulfate-limited monocultures. In particular, genes coding for the putative membrane-bound Coo hydrogenase, two periplasmic hydrogenases (Hyd and Hyn) and the well-characterized high-molecular weight cytochrome (Hmc) were among the most highly expressed and up-regulated. Additionally, a predicted operon coding for genes involved in lactate transport and oxidation exhibited up-regulation, further suggesting an alternative pathway for electrons derived from lactate oxidation during syntrophic growth. Mutations in a subset of genes coding for Coo, Hmc, Hyd and Hyn impaired or severely limited syntrophic growth but had little affect on growth via sulfate-respiration. These results demonstrate that syntrophic growth and sulfate-respiration use largely independent energy generation pathways and imply that understanding of microbial processes sustaining nutrient cycling must consider lifestyles not captured in pure culture.

  1. The Electron Transfer System of Syntrophically Grown Desulfovibrio vulgaris

    SciTech Connect (OSTI)

    PBD; ENIGMA; GTL; VIMSS; Walker, Christopher B.; He, Zhili; Yang, Zamin K.; Ringbauer Jr., Joseph A.; He, Qiang; Zhou, Jizhong; Voordouw, Gerrit; Wall, Judy D.; Arkin, Adam P.; Hazen, Terry C.; Stolyar, Sergey; Stahl, David A.

    2009-06-22T23:59:59.000Z

    Interspecies hydrogen transfer between organisms producing and consuming hydrogen promotes the decomposition of organic matter in most anoxic environments. Although syntrophic couplings between hydrogen producers and consumers are a major feature of the carbon cycle, mechanisms for energy recovery at the extremely low free energies of reactions typical of these anaerobic communities have not been established. In this study, comparative transcriptional analysis of a model sulfate-reducing microbe, Desulfovibrio vulgaris Hildenborough, suggested the use of alternative electron transfer systems dependent upon growth modality. During syntrophic growth on lactate with a hydrogenotrophic methanogen, D. vulgaris up-regulated numerous genes involved in electron transfer and energy generation when compared with sulfate-limited monocultures. In particular, genes coding for the putative membrane-bound Coo hydrogenase, two periplasmic hydrogenases (Hyd and Hyn) and the well-characterized high-molecular weight cytochrome (Hmc) were among the most highly expressed and up-regulated. Additionally, a predicted operon coding for genes involved in lactate transport and oxidation exhibited up-regulation, further suggesting an alternative pathway for electrons derived from lactate oxidation during syntrophic growth. Mutations in a subset of genes coding for Coo, Hmc, Hyd and Hyn impaired or severely limited syntrophic growth but had little affect on growth via sulfate-respiration. These results demonstrate that syntrophic growth and sulfate-respiration use largely independent energy generation pathways and imply that understanding of microbial processes sustaining nutrient cycling must consider lifestyles not captured in pure culture.

  2. DNA Damage Induced by Low-Energy Electrons: Electron Transfer and Diffraction

    SciTech Connect (OSTI)

    Zheng Yi; Wagner, J. Richard; Sanche, Leon [Groupe de Recherche en Sciences des Radiations, Faculte de Medecine, Universite de Sherbrooke, Sherbrooke, QC J1H 5N4 (Canada)

    2006-05-26T23:59:59.000Z

    Thin films of the short single strand of DNA, GCAT, in which guanine (G) or adenine (A) have been removed, were bombarded under vacuum by 4 to 15 eV electrons. The fragments corresponding to base release and strand breaks (SB) were analyzed by high performance liquid chromatography and their yields compared with those obtained from unmodified GCAT. From such a comparison, it is shown that, using GCAT as a model system (1) most SB result from electron capture by DNA bases followed by electron transfer to the phosphate group and (2) the initial capture probability depends on the coherence of the electron wave within the tetramer.

  3. Reduced density matrix hybrid approach: Application to electronic energy transfer

    SciTech Connect (OSTI)

    Berkelbach, Timothy C.; Reichman, David R. [Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027 (United States); Markland, Thomas E. [Department of Chemistry, Stanford University, 333 Campus Drive, Stanford, California 94305 (United States)

    2012-02-28T23:59:59.000Z

    Electronic energy transfer in the condensed phase, such as that occurring in photosynthetic complexes, frequently occurs in regimes where the energy scales of the system and environment are similar. This situation provides a challenge to theoretical investigation since most approaches are accurate only when a certain energetic parameter is small compared to others in the problem. Here we show that in these difficult regimes, the Ehrenfest approach provides a good starting point for a dynamical description of the energy transfer process due to its ability to accurately treat coupling to slow environmental modes. To further improve on the accuracy of the Ehrenfest approach, we use our reduced density matrix hybrid framework to treat the faster environmental modes quantum mechanically, at the level of a perturbative master equation. This combined approach is shown to provide an efficient and quantitative description of electronic energy transfer in a model dimer and the Fenna-Matthews-Olson complex and is used to investigate the effect of environmental preparation on the resulting dynamics.

  4. Reduced density matrix hybrid approach: Application to electronic energy transfer

    E-Print Network [OSTI]

    Timothy C. Berkelbach; Thomas E. Markland; David R. Reichman

    2011-11-21T23:59:59.000Z

    Electronic energy transfer in the condensed phase, such as that occurring in photosynthetic complexes, frequently occurs in regimes where the energy scales of the system and environment are similar. This situation provides a challenge to theoretical investigation since most approaches are accurate only when a certain energetic parameter is small compared to others in the problem. Here we show that in these difficult regimes, the Ehrenfest approach provides a good starting point for a dynamical description of the energy transfer process due to its ability to accurately treat coupling to slow environmental modes. To further improve on the accuracy of the Ehrenfest approach, we use our reduced density matrix hybrid framework to treat the faster environmental modes quantum mechanically, at the level of a perturbative master equation. This combined approach is shown to provide an efficient and quantitative description of electronic energy transfer in a model dimer and the Fenna-Matthews-Olson complex and is used to investigate the effect of environmental preparation on the resulting dynamics.

  5. Modeling biofilms with dual extracellular electron transfer mechanisms

    SciTech Connect (OSTI)

    Renslow, Ryan S.; Babauta, Jerome T.; Kuprat, Andrew P.; Schenk, Jim; Ivory, Cornelius; Fredrickson, Jim K.; Beyenal, Haluk

    2013-11-28T23:59:59.000Z

    Electrochemically active biofilms have a unique form of respiration in which they utilize solid external materials as their terminal electron acceptor for metabolism. Currently, two primary mechanisms have been identified for long-range extracellular electron transfer (EET): a diffusion- and a conduction-based mechanism. Evidence in the literature suggests that some biofilms, particularly Shewanella oneidensis, produce components requisite for both mechanisms. In this study, a generic model is presented that incorporates both diffusion- and conduction-based mechanisms and allows electrochemically active biofilms to utilize both simultaneously. The model was applied to Shewanella oneidensis and Geobacter sulfurreducens biofilms using experimentally generated data found the literature. Our simulation results showed that 1) biofilms having both mechanisms available, especially if they can interact, may have metabolic advantage over biofilms that can use only a single mechanism; 2) the thickness of Geobacter sulfurreducens biofilms is likely not limited by conductivity; 3) accurate intrabiofilm diffusion coefficient values are critical for current generation predictions; and 4) the local biofilm potential and redox potential are two distinct measurements and cannot be assumed to have identical values. Finally, we determined that cyclic and squarewave voltammetry are currently not good tools to determine the specific percentage of extracellular electron transfer mechanisms used by biofilms. The developed model will be a critical tool in designing experiments to explain EET mechanisms.

  6. Light induced electron transfer reactions of metal complexes

    SciTech Connect (OSTI)

    Sutin, N.; Creutz, C.

    1980-01-01T23:59:59.000Z

    Properties of the excited states of tris(2,2'-bipyridine) and tris(1,10-phenanthroline) complexes of chromium(III), iron(II), ruthenium(II), osmium(II), rhodium(III), and iridium(III) are described. The electron transfer reactions of the ground and excited states are discussed and interpreted in terms of the driving force for the reaction and the distortions of the excited states relative to the corresponding ground states. General considerations relevant to the conversion of light into chemical energy are presented and progress in the use of polypyridine complexes to effect the light decomposition of water into hydrogen and oxygen is reviewed.

  7. Photoinduced electron transfer in perylene-TiO2 nanoassemblies

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC)IntegratedSpeeding accessPeptoid NanosheetsStudying thePhotoinduced electron transfer

  8. The influence of diffusion on photoinduced electron transfer and geminate recombination

    E-Print Network [OSTI]

    Fayer, Michael D.

    in some electron transfer reactions).' Many bio- chemical charge-transfer reactions take place in fluid media whose properties govern life processes.' Before current can flow in a fuel cell, the fuel has to diffuse to an electrode for electron transfer to occur and the spent fuel must diffuse away

  9. Determination of the electronics transfer function for current transient measurements

    E-Print Network [OSTI]

    Christian Scharf; Robert Klanner

    2014-10-02T23:59:59.000Z

    We describe a straight-forward method for determining the transfer function of the readout of a sensor for the situation in which the current transient of the sensor can be precisely simulated. The method relies on the convolution theorem of Fourier transforms. The specific example is a planar silicon pad diode connected with a 50 $\\Omega $ cable to an amplifier followed by a 5 GS/s sampling oscilloscope. The charge carriers in the sensor were produced by picosecond lasers with light of wavelengths of 675 and 1060 nm. The transfer function is determined from the 1060 nm data with the pad diode biased at 1000 V. It is shown that the simulated sensor response convoluted with this transfer function provides an excellent description of the measured transients for the laser light of both wavelengths, at voltages 50 V above the depletion voltage of about 90 V up to the maximum applied voltage of 1000 V. The method has been developed for the precise measurement of the dependence of the drift velocity of electrons and holes in high-ohmic silicon on crystal orientation, electric field and temperature. It can also be applied for the analysis of transient-current measurements of radiation-damaged solid state sensors, as long as sensors properties, like high-frequency capacitance, are not too different.

  10. Aqueous systems from first-principles : structure, dynamics and electron-transfer reactions

    E-Print Network [OSTI]

    Sit, Patrick Hoi Land

    2006-01-01T23:59:59.000Z

    In this thesis, we show for the first time how it is possible to calculated fully from first-principles the diabatic free-energy surfaces of electron-transfer reactions. The excitation energy corresponding to the transfer ...

  11. Proton-coupled electron transfer reactions in solution: Molecular dynamics with quantum transitions for model systems

    E-Print Network [OSTI]

    Hammes-Schiffer, Sharon

    Proton-coupled electron transfer reactions in solution: Molecular dynamics with quantum transitions A general minimal model for proton-coupled electron transfer PCET reactions in solution is presented. This model consists of three coupled degrees of freedom that represent an electron, a proton, and a solvent

  12. Noise-assisted quantum electron transfer in photosynthetic complexes

    E-Print Network [OSTI]

    Alexander I. Nesterov; Gennady P. Berman; Jos Manuel Snchez Martnez; Richard T. Sayre

    2013-04-30T23:59:59.000Z

    Electron transfer (ET) between primary electron donors and acceptors is modeled in the photosystem II reaction center (RC). Our model includes (i) two discrete energy levels associated with donor and acceptor, interacting through a dipole-type matrix element and (ii) two continuum manifolds of electron energy levels ("sinks"), which interact directly with the donor and acceptor. Namely, two discrete energy levels of the donor and acceptor are embedded in their independent sinks through the corresponding interaction matrix elements. We also introduce classical (external) noise which acts simultaneously on the donor and acceptor (collective interaction). We derive a closed system of integro-differential equations which describes the non-Markovian quantum dynamics of the ET. A region of parameters is found in which the ET dynamics can be simplified, and described by coupled ordinary differential equations. Using these simplified equations, both sharp and flat redox potentials are analyzed. We analytically and numerically obtain the characteristic parameters that optimize the ET rates and efficiency in this system.

  13. Nonadiabatic dynamics for processes involving multiple avoided curve crossings: Double proton transfer and proton-coupled electron transfer

    E-Print Network [OSTI]

    Hammes-Schiffer, Sharon

    Nonadiabatic dynamics for processes involving multiple avoided curve crossings: Double proton transfer and proton-coupled electron transfer reactions Jian-Yun Fang and Sharon Hammes June 1997; accepted 26 August 1997 The extension of the surface hopping method ``molecular dynamics

  14. Photoinitiated proton-coupled electron transfer and radical transport kinetics in class la ribonucleotide reductase

    E-Print Network [OSTI]

    Pizano, Arturo A. (Arturo Alejandro)

    2013-01-01T23:59:59.000Z

    Proton-coupled electron transfer (PCET) is a critical mechanism in biology, underpinning key processes such as radical transport, energy transduction, and enzymatic substrate activation. Ribonucleotide reductases (RNRs) ...

  15. Structural Fluctuations, Spin, Reorganization Energy, and Tunneling Energy Control of Intramolecular Electron Transfer

    E-Print Network [OSTI]

    Kurnikova, Maria

    calculations of electronic couplings, molecular dynamics simulations of molecular geometries, and Poisson exists to interpret electron-transfer (ET) reactions and their dependence upon molecular structure.1Structural Fluctuations, Spin, Reorganization Energy, and Tunneling Energy Control

  16. Thermal transfer structures coupling electronics card(s) to coolant-cooled structure(s)

    DOE Patents [OSTI]

    David, Milnes P; Graybill, David P; Iyengar, Madhusudan K; Kamath, Vinod; Kochuparambil, Bejoy J; Parida, Pritish R; Schmidt, Roger R

    2014-12-16T23:59:59.000Z

    Cooling apparatuses and coolant-cooled electronic systems are provided which include thermal transfer structures configured to engage with a spring force one or more electronics cards with docking of the electronics card(s) within a respective socket(s) of the electronic system. A thermal transfer structure of the cooling apparatus includes a thermal spreader having a first thermal conduction surface, and a thermally conductive spring assembly coupled to the conduction surface of the thermal spreader and positioned and configured to reside between and physically couple a first surface of an electronics card to the first surface of the thermal spreader with docking of the electronics card within a socket of the electronic system. The thermal transfer structure is, in one embodiment, metallurgically bonded to a coolant-cooled structure and facilitates transfer of heat from the electronics card to coolant flowing through the coolant-cooled structure.

  17. On the efficient electron transfer through GEM C.Richter a, #

    E-Print Network [OSTI]

    of the GEM element and the process of electron transport in the gas volume preceding the GEM. The last. In applications where a relatively large number of primary electrons are deposited within the gas volume preceding Abstract The absolute electron transfer efficiency of a gas electron multiplier (GEM) was systematically

  18. A stochastic reorganizational bath model for electronic energy transfer

    E-Print Network [OSTI]

    Takatoshi Fujita; Joonsuk Huh; Alan Aspuru-Guzik

    2014-06-06T23:59:59.000Z

    The fluctuations of optical gap induced by the environment play crucial roles in electronic energy transfer dynamics. One of the simplest approaches to incorporate such fluctuations in energy transfer dynamics is the well known Haken-Strobl-Reineker model, in which the energy-gap fluctuation is approximated as a white noise. Recently, several groups have employed molecular dynamics simulations and excited-state calculations in conjunction to take the thermal fluctuation of excitation energies into account. Here, we discuss a rigorous connection between the stochastic and the atomistic bath models. If the phonon bath is treated classically, time evolution of the exciton-phonon system can be described by Ehrenfest dynamics. To establish the relationship between the stochastic and atomistic bath models, we employ a projection operator technique to derive the generalized Langevin equations for the energy-gap fluctuations. The stochastic bath model can be obtained as an approximation of the atomistic Ehrenfest equations via the generalized Langevin approach. Based on the connection, we propose a novel scheme to correct reorganization effects within the framework of stochastic models. The proposed scheme provides a better description of the population dynamics especially in the regime of strong exciton-phonon coupling. Finally, we discuss the effect of the bath reorganization in the absorption and fluorescence spectra of ideal J-aggregates in terms of the Stokes shifts. For this purpose, we introduce a simple relationship that relates the reorganization contribution to the Stokes shifts - the reorganization shift - to three parameters: the monomer reorganization energy, the relaxation time of the optical gap, and the exciton delocalization length. This simple relationship allows one to classify the origin of the Stokes shifts in molecular aggregates.

  19. 5342 J. Am. Chem. SOC.1993, 115, 5342-5343 Observationof Photoinduced Electron Transfer at a

    E-Print Network [OSTI]

    ) in an aqueous medium can inhibit the back reaction in a photoinduced electron- transfer process: trans-1 not soluble in water.24 Liquid-liquid interfaces were prepared by vigorously mixing a 1 mM solution of l+-BPh4, H., Sigel, A., Eds.; Dekker: New York, 1991; Vol. 27. (6) Electron Transfer in Biology and the Solid

  20. Control of Electron Transfer Rates in Liquid Crystalline Media Mark Lilichenko and Dmitry V. Matyushov*

    E-Print Network [OSTI]

    Matyushov, Dmitry

    The biological environment for photosynthetic charge separa- tion1 and media employed for solar energy conversionControl of Electron Transfer Rates in Liquid Crystalline Media Mark Lilichenko and Dmitry V; In Final Form: December 17, 2002 The solvent reorganization energy of electron-transfer reactions

  1. Thermally Activated, Inverted Interfacial Electron Transfer Kinetics: High Driving Force Reactions between Tin Oxide Nanoparticles and

    E-Print Network [OSTI]

    between Tin Oxide Nanoparticles and Electrostatically-Bound Molecular Reactants Dennis A. Gaal and Joseph: The kinetics and mechanism of fast electron transfer (ET) between tin oxide nanoparticles and electrostatically-order studies establish that, at least in the short time regime, electrons are transferred directly from the tin

  2. Electron Transfer Catalyzed [2 + 2] Cycloreversion of Benzene G. Devi Reddy and Olaf Wiest*

    E-Print Network [OSTI]

    Hudlicky, Tomas

    Electron Transfer Catalyzed [2 + 2] Cycloreversion of Benzene Dimers G. Devi Reddy and Olaf Wiest, Florida 32611-7200 Received December 8, 1998 The catalysis of the [2 + 2] cycloreversion of the anti-o,o-benzene dimer 1 and the syn-o,o- naphthalene-benzene dimer 2 through thermal and photoinduced electron transfer

  3. A Comparison of Electron-Transfer Dynamics inIonic Liquids and Neutral Solvents

    SciTech Connect (OSTI)

    Wishart J. F.; Lee, H.Y.; Issa, J.B.; Isied, S.S.; Castner, Jr., E.W.; Pan, Y.; Hussey, C.L.; Lee, K.S.

    2012-03-01T23:59:59.000Z

    The effect of ionic liquids on photoinduced electron-transfer reactions in a donor-bridge-acceptor system is examined for two ionic liquid solvents, 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide and tributylmethylammonium bis(trifluoromethylsulfonyl)amide. The results are compared with those for the same system in methanol and acetonitrile solution. Electron-transfer rates were measured using time-resolved fluorescence quenching for the donor-bridge-acceptor system comprising a 1-N,1-N-dimethylbenzene-1,4-diamine donor, a proline bridge, and a coumarin 343 acceptor. The photoinduced electron-transfer processes are in the inverted regime (-{Delta}G > {lambda}) in all four solvents, with driving forces of -1.6 to -1.9 eV and estimated reorganization energies of about 1.0 eV. The observed electron-transfer kinetics have broadly distributed rates that are generally slower in the ionic liquids compared to the neutral solvents, which also have narrower rate distributions. To describe the broad distributions of electron-transfer kinetics, we use two different models: a distribution of exponential lifetimes and a discrete sum of exponential lifetimes. Analysis of the donor-acceptor electronic coupling shows that for ionic liquids this intramolecular electron-transfer reaction should be treated using a solvent-controlled electron-transfer model.

  4. Photoinduced bimolecular electron transfer kinetics in small unilamellar vesicles

    SciTech Connect (OSTI)

    Choudhury, Sharmistha Dutta; Kumbhakar, Manoj; Nath, Sukhendu; Pal, Haridas [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India)

    2007-11-21T23:59:59.000Z

    Photoinduced electron transfer (ET) from N,N-dimethylaniline to some coumarin derivatives has been studied in small unilamellar vesicles (SUVs) of the phospholipid, DL-{alpha}-dimyristoyl-phosphatidylcholine, using steady-state and time-resolved fluorescence quenching, both below and above the phase transition temperature of the vesicles. The primary interest was to examine whether Marcus inversion [H. Sumi and R. A. Marcus, J. Chem. Phys. 84, 4894 (1986)] could be observed for the present ET systems in these organized assemblies. The influence of the topology of SUVs on the photophysical properties of the reactants and consequently on their ET kinetics has also been investigated. Absorption and fluorescence spectral data of the coumarins in SUVs and the variation of their fluorescence decays with temperature indicate that the dyes are localized in the bilayer of the SUVs. Time-resolved area normalized emission spectra analysis, however, reveals that the dyes are distributed in two different microenvironments in the SUVs, which we attribute to the two leaflets of the bilayer, one toward bulk water and the other toward the inner water pool. The microenvironments in the two leaflets are, however, not indicated to be that significantly different. Time-resolved anisotropy decays were biexponential for all the dyes in SUVs, and this has been interpreted in terms of the compound motion model according to which the dye molecules can experience a fast wobbling-in-cone type of motion as well as a slow overall rotating motion of the cone containing the molecule. The expected bimolecular diffusion-controlled rates in SUVs, as estimated by comparing the microviscosities in SUVs (determined from rotational correlation times) and that in acetonitrile solution, are much slower than the observed fluorescence quenching rates, suggesting that reactant diffusion (translational) does not play any role in the quenching kinetics in the present systems. Accordingly, clear inversions are observed in the correlation of the fluorescence quenching rate constants k{sub q} with the free energy change, {delta}G{sup 0} of the reactions. However, the coumarin dyes, C152 and C481 (cf. Scheme 1), show unusually high k{sub q} values and high activation barriers, which is not expected from Marcus ET theory. This unusual behavior is explained on the basis of participation of the twisted intramolecular charge transfer states of these two dyes in the ET kinetics.

  5. Coherent transfer of light polarization to electron spins in a semiconductor

    E-Print Network [OSTI]

    Hideo Kosaka; Hideki Shigyou; Yasuyoshi Mitsumori; Yoshiaki Rikitake; Hiroshi Imamura; Takeshi Kutsuwa; Koichiro Arai; Keiichi Edamatsu

    2007-10-20T23:59:59.000Z

    We demonstrate that the superposition of light polarization states is coherently transferred to electron spins in a semiconductor quantum well. By using time-resolved Kerr rotation we observe the initial phase of Larmor precession of electron spins whose coherence is transferred from light. To break the electron-hole spin entanglement, we utilized the big discrepancy between the transverse g-factors of electrons and light holes. The result encourages us to make a quantum media converter between flying photon qubits and stationary electron spin qubits in semiconductors.

  6. Study of intermediates from transition metal excited-state electron-transfer reactions

    SciTech Connect (OSTI)

    Hoffman, M.Z.

    1992-07-31T23:59:59.000Z

    Conventional and fast-kinetics techniques of photochemistry, photophysics, radiation chemistry, and electrochemistry were used to study the intermediates involved in transition metal excited-state electron-transfer reactions. These intermediates were excited state of Ru(II) and Cr(III) photosensitizers, their reduced forms, and species formed in reactions of redox quenchers and electron-transfer agents. Of particular concern was the back electron-transfer reaction between the geminate pair formed in the redox quenching of the photosensitizers, and the dependence of its rate on solution medium and temperature in competition with transformation and cage escape processes. (DLC)

  7. THE JOURNAL OF CHEMICAL PHYSICS 138, 114105 (2013) Reorganization energy of electron transfer processes in ionic fluids

    E-Print Network [OSTI]

    Song, Xueyu

    2013-01-01T23:59:59.000Z

    solutions. Thus any reliable theoretical understanding of electron transfer reactions in ionic fluidsTHE JOURNAL OF CHEMICAL PHYSICS 138, 114105 (2013) Reorganization energy of electron transfer; published online 15 March 2013) The reorganization energy of electron transfer processes in ionic fluids

  8. Model Proton-Coupled Electron Transfer Reactions in Solution: Predictions of Rates, Mechanisms, and Kinetic Isotope Effects

    E-Print Network [OSTI]

    Hammes-Schiffer, Sharon

    Model Proton-Coupled Electron Transfer Reactions in Solution: Predictions of Rates, Mechanisms isotope effects for proton-coupled electron transfer (PCET) reactions. These studies are based, the solvent is represented as a dielectric continuum, and the active electrons and transferring protons

  9. Gene expression and deletion analysis of mechanisms for electron transfer from electrodes to Geobacter sulfurreducens

    E-Print Network [OSTI]

    Lovley, Derek

    transfer to electrodes. Keywords: microbial fuel cell, Geobacter sulfurreducens, cathode, electron donor. Surprisingly, genes for putative cell-electrode connections, such as outer-surface cytochromes and pili, which emerging area in microbe-electrode interactio

  10. Vectorial electron transfer in spatially ordered arrays. Progress report, January 1992--January 1993

    SciTech Connect (OSTI)

    Fox, M.A.

    1993-02-01T23:59:59.000Z

    Progress was made on synthesis of new materials for directional electron transfer (block copolymers and helical oligopeptides), preparation and characterization of anisotropic composites bearing organics and inorganics, electrocatalysis (redox-activated catalysts), and surface modifications of metals and semiconductors.

  11. Nonadiabatic electron transfer in the condensed phase, via semiclassical and Langevin equation approach

    E-Print Network [OSTI]

    Song, XiaoGeng, Ph. D. Massachusetts Institute of Technology

    2009-01-01T23:59:59.000Z

    In this dissertation, we discuss two methods developed during my PhD study to simulate electron transfer systems. The first method, the semi-classical approximation, is derived from the stationary phase approximation to ...

  12. Room-Temperature Gas Sensing Based on Electron Transfer between Discrete Tin Oxide Nanocrystals and

    E-Print Network [OSTI]

    Chen, Junhong

    Room-Temperature Gas Sensing Based on Electron Transfer between Discrete Tin Oxide Nanocrystals and the response time. Rutile-structured tin oxide (SnO2) is an n-type semiconducting material widely used in gas

  13. Ultrafast Energy-Electron Transfer Cascade in a Multichromophoric Light-Harvesting Molecular Square

    E-Print Network [OSTI]

    van Stokkum, Ivo

    and electron-transfer pathways, and chromophoric heterogeneity. Temperature-dependent time-resolved emission in the fields of molecular recognition,9,10 sensing,6,9 catalysis,11 and electrochemical or photochemical

  14. Photochemical ribonucleotide reductase for the study of proton-coupled electron transfer

    E-Print Network [OSTI]

    Reece, Steven Y., 1980-

    2007-01-01T23:59:59.000Z

    Charge transport and catalysis in enzymes often rely on amino acid radicals as intermediates. The generation and transport of these radicals are synonymous with proton-coupled electron transfer (PCET), which intrinsically ...

  15. Proton-coupled electron transfer : from basic principles to small molecule activation

    E-Print Network [OSTI]

    Rosenthal, Joel, 1979-

    2007-01-01T23:59:59.000Z

    Proton-coupled electron transfer (PCET) is the basic mechanism for bioenergetic conversion. Hallmark examples of such reactivities include water oxidation which is coupled to photosynthesis and oxygen reduction which is ...

  16. The Roles of Outer Membrane Cytochromes of Shewanella and Geobacter in Extracellular Electron Transfer

    SciTech Connect (OSTI)

    Shi, Liang; Richardson, David; Wang, Zheming; Kerisit, Sebastien N.; Rosso, Kevin M.; Zachara, John M.; Fredrickson, Jim K.

    2009-08-01T23:59:59.000Z

    As key components of the electron transfer (ET) pathways used for dissimilatory reduction of solid iron [Fe(III)] and manganese [Mn(IV)] (hydr)oxides, outer membrane cytochromes MtrC and OmcA of Shewanella oneidensis MR-1 and OmcE and OmcS of Geobacter sulfurreducens mediate ET reactions extracellularly. Cell surface-exposed MtrC and OmcA can transfer electrons directly to the metal oxides. S. oneidensis MR-1 cells also secrete flavins that can facilitate ET to the oxides. The secreted flavins are thought to serve either as chelators that form soluble Fe(III)/Mn(IV)-flavin complexes or as electron shuttles that ferry the electrons from cell-associated ET proteins to the metal oxides. Cell-surface localization may also permit MtrC and OmcA to transfer electrons extracellularly to either flavin-chelated Fe(III)/Mn(IV) or oxidized flavins. OmcE and OmcS are proposed to be located on the Geobacter cell surface where they are believed to function as the intermediates to relay electrons to type IV pili, which are then hypothesized to transfer electrons directly to the metal oxides. Thus, cell surface-localization positions these outer membrane cytochromes to transfer electrons to Fe(III)/Mn(IV) oxides external to the bacterial cells either directly, indirectly, or both, demonstrating a common strategy shared by Shewanella and Geobacter for extracellular reduction of the oxides.

  17. Exciton/Charge-transfer Electronic Couplings in Organic Semiconductors

    E-Print Network [OSTI]

    Difley, Seth

    Charge transfer (CT) states and excitons are important in energy conversion processes that occur in organic light emitting devices (OLEDS) and organic solar cells. An ab initio density functional theory (DFT) method for ...

  18. Hot Electron Transfer from Semiconductor Nanocrystals | MIT-Harvard Center

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC) EnvironmentalGyroSolé(tm) HarmonicbetandEnergy 2010 A FileHosting foreignfor

  19. Building model systems to understand Proton-Coupled Electron Transfer in heme : spectroscopic investigation of charge transfer to axially bound diimide acceptors

    E-Print Network [OSTI]

    Hanson, Christina J

    2013-01-01T23:59:59.000Z

    Proton-Coupled Electron Transfer (PCET) is an important mechanistic motif in chemistry, which allows for efficient charge transport in many biological systems. We seek to understand how the proton and electron motions are ...

  20. Intramolecular, photoinduced electron transfer in ruthenium(II) bipyridine-quinone complexes

    SciTech Connect (OSTI)

    Opperman, K.A.; Mecklenburg, S.L.; Meyer, T.J. [Univ. of North Carolina, Chapel Hill, NC (United States)

    1994-11-09T23:59:59.000Z

    Adsorption spectroscopy and transient emission spectroscopy were used to follow intramolecular electron transfer quenching after metal-to-ligand charge transfer (MLCT) excitation of Ru(II)bipyridine-quinone complexes. Studies of various N-((4{prime}methyl-2-2{prime}-bipyridyl)-4-methyl)-9,10-anthraquinone-2-carboxamide (bpy-AQ) complexes, revealed that these complexes quench by rapid electron transfer from ligand radical excited states to the metal center. A donor-chromophore-acceptor complex with the bpy-AQ ligand and the (10-[4({prime}-methyl-2,2{prime}-bipyridin-4-yl)methylphenothiazine)] (bpy-PTZ) ligand displays redox separation on excitation.

  1. One-Electron-Transfer Reactions of Polychlorinated Ethylenes...

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

    ab initio electronic structure methods, by providing experimentally inaccessible thermodynamics properties and activation energies, are able to sort out possible reactions...

  2. Modeling biofilms with dual extracellular electron transfer mechanisms...

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

    a unique form of respiration in which they utilize solid external materials as their terminal electron acceptor for metabolism. Currently, two primary mechanisms have been...

  3. Non-adiabatic molecular dynamics simulation of ultrafast solar cell electron transfer

    E-Print Network [OSTI]

    confinement devices [1­5]. Solar cells of the Graetzel type [6,7] are based on dye sensitized nanocrystalline in solar cells, photocatalysis and photoelectrolysis. The electronic structure of the dye cell; Ultrafast electron transfer; Non-adiabatic molecular dynamics simulation; Dye sensitized titanium

  4. Long-Range Electronic-to-Vibrational Energy Transfer from Nanocrystals to Their Surrounding Matrix Environment

    E-Print Network [OSTI]

    Rabani, Eran

    for the analysis, control, and optimization of energy storage and disposal in chemistry, physics, material sci radiationless electronic-to-vibrational energy conversion and vibrational energy exchange, which are centralLong-Range Electronic-to-Vibrational Energy Transfer from Nanocrystals to Their Surrounding Matrix

  5. Energetics of Electron-Transfer Reactions in Soft Condensed

    E-Print Network [OSTI]

    Matyushov, Dmitry

    scales. Thermodynamics of activation is related to the length scale of microscopic interactions reflected barrier when the time scale of the reaction is comparable to the relaxation time of the solvent-transfer reactions (see reviews in refs 1-4). Recent advances in spectroscopic techniques examining the dynamics

  6. (Formation of fuel via photochemical electron transfer). Annual report

    SciTech Connect (OSTI)

    Jones, G.

    1985-03-04T23:59:59.000Z

    Accomplishments for the past year are reported under the following three main headings, in addition to several other related studies: (1) heterocyclic sulfur compounds which display unusual properties as electron relays which may be important in chemical or fuel forming reactions; (2) cationic dyes which tend to aggregate in interesting ways when bound to polyanion in water; and (3) photochemistry of viologen or pyridinium ions which are complexed or ion-paired with electron donors. A publications update is appended with references cited in this report.

  7. Intramolecular photo-induced electron transfer in a rigid anthracene-N, N-dimethylaniline system

    SciTech Connect (OSTI)

    Minsek, D.W.; Yang, N.C. Yang (Chicago Univ., IL (United States). Dept. of Chemistry); Niemczyk, M.P.; Svec, W.A.; Wasielewski, M.R. (Argonne National Lab., IL (United States))

    1992-01-01T23:59:59.000Z

    2-(N,N-Dimethylamino)-5, 14-ethanopentacene (1) was synthesized and spectroscopic behaviors investigated. Results suggest that 1 undergoes photoinduced electron transfer (PET) in solvents more polar than saturated hydrocarbons. The resulting charge-transfer (CT) state undergoes CT fluorescence efficiently in solvents of low dielectric constants. Fluorescence excitation studies of the CT emission reveal the existence of an EDA interaction in the ground state. The implications of these results are discussed.

  8. Intramolecular photo-induced electron transfer in a rigid anthracene-N, N-dimethylaniline system

    SciTech Connect (OSTI)

    Minsek, D.W.; Yang, N.C. Yang [Chicago Univ., IL (United States). Dept. of Chemistry; Niemczyk, M.P.; Svec, W.A.; Wasielewski, M.R. [Argonne National Lab., IL (United States)

    1992-12-31T23:59:59.000Z

    2-(N,N-Dimethylamino)-5, 14-ethanopentacene (1) was synthesized and spectroscopic behaviors investigated. Results suggest that 1 undergoes photoinduced electron transfer (PET) in solvents more polar than saturated hydrocarbons. The resulting charge-transfer (CT) state undergoes CT fluorescence efficiently in solvents of low dielectric constants. Fluorescence excitation studies of the CT emission reveal the existence of an EDA interaction in the ground state. The implications of these results are discussed.

  9. Study of intermediates from transition metal excited-state electron-transfer reactions

    SciTech Connect (OSTI)

    Hoffman, M.Z.

    1991-12-31T23:59:59.000Z

    During this period, conventional and fast-kinetics techniques of photochemistry, photophysics, radiation chemistry, and electrochemistry were used for the characterization of the intermediates that are involved in transition metal excited-state electron-transfer reactions. The intermediates of interest were the excited states of Ru(II) and Cr(III) photosensitizers, their reduced forms, and the species formed in the reactions of redox quenchers and electron-transfer agents. Of particular concern has been the back electron-transfer reaction between the geminate pair formed in the redox quenching of the photosensitizers, and the dependence of its rate on solution medium and temperature in competition with transformation and cage escape processes.

  10. Photoinduced intramolecular electron transfer in bisviologen-linked porphyrin in acetonitrile

    SciTech Connect (OSTI)

    Hirota, Junji; Okura, Ichiro (Tokyo Inst. of Technology, Yokohama (Japan))

    1993-07-01T23:59:59.000Z

    Bisviologen-linked porphyrin (p-PC[sub 4]V[sub A]C[sub 4]V[sub B]), in which two viologens are connected with porphyrin through methylene chain ([minus](CH[sub 2])[sub 4][minus]) was prepared, and photoinduced singlet state of the porphyrin was quenched by the bonded viologen due to photoinduced intramolecular electron transfer from the photoexcited singlet state of porphyrin in the bonded viologen. The rate constant of the intramolecular electron transfer was 3.10 [times] 10[sup 8] s[sup [minus]1]. The photoexcited triplet state was also quenched by the bonded viologen. The rate constant of intramolecular electron transfer via the photoexcited triplet state was 2.19 [times] 10[sup 5] s[sup [minus]1]. 23 refs., 5 figs., 5 tabs.

  11. The First Events in Photosynthesis: Electronic Coupling and Energy Transfer Dynamics in the Photosynthetic Reaction Center from Rhodobacter sphaeroides

    E-Print Network [OSTI]

    Scherer, Norbert F.

    The First Events in Photosynthesis: Electronic Coupling and Energy Transfer Dynamics in photosynthesis. The reaction center contains six chlorophyll-like pigments arranged with approximate C2 symmetry

  12. DFT and time-resolved IR investigation of electron transfer between photogenerated 17- and 19-electron organometallic radicals

    SciTech Connect (OSTI)

    Cahoon, James B.; Kling, Matthias F.; Sawyer, Karma R.; Andersen, Lars K.; Harris, Charles B.

    2008-04-30T23:59:59.000Z

    The photochemical disproportionation mechanism of [CpW(CO){sub 3}]{sub 2} in the presence of Lewis bases PR{sub 3} was investigated on the nano- and microsecond time-scales with Step-Scan FTIR time-resolved infrared spectroscopy. 532 nm laser excitation was used to homolytically cleave the W-W bond, forming the 17-electron radicals CpW(CO){sub 3} and initiating the reaction. With the Lewis base PPh{sub 3}, disproportionation to form the ionic products CpW(CO){sub 3}PPh{sub 3}{sup +} and CpW(CO){sub 3}{sup -} was directly monitored on the microsecond time-scale. Detailed examination of the kinetics and concentration dependence of this reaction indicates that disproportionation proceeds by electron transfer from the 19-electron species CpW(CO){sub 3}PPh{sub 3} to the 17-electron species CpW(CO){sub 3}. This result is contrary to the currently accepted disproportionation mechanism which predicts electron transfer from the 19-electron species to the dimer [CpW(CO){sub 3}]{sub 2}. With the Lewis base P(OMe){sub 3} on the other hand, ligand substitution to form the product [CpW(CO){sub 2}P(OMe){sub 3}]{sub 2} is the primary reaction on the microsecond time-scale. Density Functional Theory (DFT) calculations support the experimental results and suggest that the differences in the reactivity between P(OMe){sub 3} and PPh{sub 3} are due to steric effects. The results indicate that radical-to-radical electron transfer is a previously unknown but important process for the formation of ionic products with the organometallic dimer [CpW(CO){sub 3}]{sub 2} and may also be applicable to the entire class of organometallic dimers containing a single metal-metal bond.

  13. Rudolph A. Marcus and His Theory of Electron Transfer Reactions

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Scienceand Requirements RecentlyElectronicResources ResourcesRobust,RomanRoy Primus Roy

  14. SF 9424-EFT;Electronic Funds Transfer Agreement

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Scienceand Requirements RecentlyElectronicResourcesjobs RunningSEAB ReportsFESF/2015)9424-EFT

  15. Electronic Funds Transfer Authorization Form 4/2014

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625govInstrumentstdmadapInactiveVisitingContractElectron-State Hybridization in Heavy-Fermion Systems

  16. Laser pulse control of ultrafast heterogeneous electron transfer: A computational study

    E-Print Network [OSTI]

    Röder, Beate

    Laser pulse control of ultrafast heterogeneous electron transfer: A computational study Luxia Wang on ultrafast HET given in Refs. 14­16. In the following we will focus on the case where a tailored laser pulse, Germany Received 31 March 2004; accepted 30 July 2004 Laser pulse control of the photoinduced 90 fs charge

  17. Towards new model systems for the study of proton-coupled electron transfer

    E-Print Network [OSTI]

    Yang, Jay Lee

    2009-01-01T23:59:59.000Z

    Two new model systems for the study of orthogonal proton-coupled electron transfer (PCET) have been developed. The first model system is based on Ru"(HzO)(tpy)(bpy) (tpy = 2,2';6',2"terpyridine, bpy = 2,2'-bipyridine) where ...

  18. Distance Dependence of Electron Transfer in DNA: The Role of the Reorganization Energy and Free Energy

    E-Print Network [OSTI]

    Fayer, Michael D.

    Distance Dependence of Electron Transfer in DNA: The Role of the Reorganization Energy and Free of the solvent reorganization energy and free energy in the heterogeneous DNA environment. DNA is modeled represents water. Model calculations show the importance of including the reorganization energy and the free

  19. Modeling the free energy surfaces of electron transfer in condensed phases

    E-Print Network [OSTI]

    Matyushov, Dmitry

    PROOF COPY 509037JCP Modeling the free energy surfaces of electron transfer in condensed phases analytical solution for the ET free energy surfaces demonstrates the following features: i the range of ET reaction coordinates is limited by a one-sided fluctuation band, ii the ET free energies are infinite

  20. Nonadiabatic electron transfer at the nanoscale tin-oxide semiconductor/aqueous solution interface

    E-Print Network [OSTI]

    published as an Advance Article on the web 28th January 2004 Photo-excitation of chromophoric metal forward and back electron transfer reactions involving molecular dyes and wide bandgap semiconductors words, electro- nic coupling rather than nuclear motion appears to govern the reaction dynamics

  1. Oxygen Isotope Effects as Probes of Electron Transfer Mechanisms and Structures of

    E-Print Network [OSTI]

    Roth, Justine P.

    Oxygen Isotope Effects as Probes of Electron Transfer Mechanisms and Structures of Activated O2, Maryland 21218 RECEIVED ON JULY 26, 2008 C O N S P E C T U S Competitively determined oxygen (18 O) isotope effects can be power- ful probes of chemical and biological transformations involving molec- ular oxygen

  2. Electron-Transfer Studies of a Peroxide Dianion Andrew M. Ullman,

    E-Print Network [OSTI]

    Müller, Peter

    of the ET chemistry of a free peroxide dianion will be useful in studies of metal-air batteries and the use or metal-ion association. This feature has allowed the electron-transfer (ET) kinetics of isolated peroxide or metal ions, and the anion exhibits reversible ET behavior; accordingly, the outer-sphere oxidation

  3. Mechanisms of photoinduced electron transfer: Final report, July 1, 1977-September 30, 1987

    SciTech Connect (OSTI)

    Jones, G. II

    1987-12-01T23:59:59.000Z

    Work which has been conducted under Department of Energy sponsorship over the past ten years at Boston University is described. A general theme for projects which are summarized involves photochemically induced electron transfer reactions for organic compounds. Early studies in the series were directed to the development of new mechanisms for driving isomerization processes which store light energy as latent heat. Other investigations were devoted to an understanding of the dynamics of charge separation for photoexcited (charge-transfer) complexes or ion-pairs. Recent studies focused on the development of charge relays such as dithioethers and viologen or pyridinium ions, the electron transfer photochemistry of high potential quinones, and the photophysical properties of organic dyes bound to water-soluble polymers. 9 figs.

  4. Reorganization Energy of Electron Transfer in Viscous Solvents above the Glass Transition Pradip K. Ghorai and Dmitry V. Matyushov*

    E-Print Network [OSTI]

    Matyushov, Dmitry

    Reorganization Energy of Electron Transfer in Viscous Solvents above the Glass Transition Pradip K-Einstein relation. The change in the reorganization energy at the transition temperature reflects the dynamical reorganization energy of electron transfer in supercooled water. We observe a sharp decrease

  5. Solvent Reorganization Energy and Free Energy Change for Donor/Acceptor Electron Transfer at Micelle Surfaces: Theory and Experiment

    E-Print Network [OSTI]

    Fayer, Michael D.

    Solvent Reorganization Energy and Free Energy Change for Donor/Acceptor Electron TransferVed: April 7, 1998 Theories are presented for calculating the solvent reorganization energy and the free region, and the surrounding water. The free energy change accompanying electron transfer can

  6. Theory of ultrafast photoinduced electron transfer from a bulk semiconductor to a quantum dot

    SciTech Connect (OSTI)

    Rasmussen, Andrew M., E-mail: andyras@gmail.com; Ramakrishna, S.; Weiss, Emily A.; Seideman, Tamar, E-mail: t-seideman@northwestern.edu [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208-3113 (United States)] [Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208-3113 (United States)

    2014-04-14T23:59:59.000Z

    This paper describes analytical and numerical results from a model Hamiltonian method applied to electron transfer (ET) from a quasicontinuum (QC) of states to a set of discrete states, with and without a mediating bridge. Analysis of the factors that determine ET dynamics yields guidelines for achieving high-yield electron transfer in these systems, desired for instance for applications in heterogeneous catalysis. These include the choice of parameters of the laser pulse that excites the initial state into a continuum electronic wavepacket and the design of the coupling between the bridge molecule and the donor and acceptor. The vibrational mode on a bridging molecule between donor and acceptor has an influence on the yield of electron transfer via Franck-Condon factors, even in cases where excited vibrational states are only transiently populated. Laser-induced coherence of the initial state as well as energetic overlap is crucial in determining the ET yield from a QC to a discrete state, whereas the ET time is influenced by competing factors from the coupling strength and the coherence properties of the electronic wavepacket.

  7. Electron transfer reactions in microporous solids. Progress report, September 1990--January 1993

    SciTech Connect (OSTI)

    Mallouk, T.E.

    1993-01-01T23:59:59.000Z

    Basic thrust the research program involves use of microporous solids (zeolites, clays, layered and tunnel structure oxide semiconductors) as organizing media for artificial photosynthetic systems. Purpose of the microporous solid is twofold. First, it induces spatial organization of photoactive and electroactive components (sensitizers, semiconductor particles, electron relays, and catalysts) at the solid-solution interface, enhancing the quantum efficiency of charge separation and separating physically the ultimate electron donor and acceptor in the electron transport chain. Second, since the microcrystalline solid admits only molecules of a certain charge and size, it is possible to achieve permanent charge separation by sieving chemical photoproducts (e.g., H{sub 2} and I{sub 3}{sup {minus}}, or H{sub 2} and O{sub 2)} from each other. Spectroscopic and electrochemical methods are used to study the kinetics of electron transfer reactions in these hybrid molecular/solid state assemblies.

  8. Manipulation of the distance of light-induced electron transfer within a semi-rigid donor(amine)/acceptor(terpyridine) assembly via

    E-Print Network [OSTI]

    structure calculations qualitatively reproduce the experimental observations. From the calculations interest in the kinetics and dynamics of electron transfer (ET) reac- tions, including reactions kinetics and dynamics studies: `how far is the electron transferred?' At first glance, this would appear

  9. Photoinduced Electron Transfer in Ordered Macromolecular Assemblies. Final report for May 1, 1988 - June 30, 2002

    SciTech Connect (OSTI)

    Jones, G.

    2005-02-11T23:59:59.000Z

    The final report describes studies over a 13 year period having to do with photoinduced electron transfer for active chromophores and redox agents, including assembly of the components in water soluble polymers or polypeptides. The findings include observation of long range charge separation and electron transport using laser phototransient spectroscopy. The systems targeted in these studies include peptide assemblies for which helical conformations and aggregation are documented. Oligomeric peptides modified with non-native redox active groups were also selected for investigation. Highly charged polymers or peptides were investigated as host agents that resemble proteins. The overall goal of these investigations focused on the design and characterization of systems capable of artificial photosynthesis.

  10. Vectorial electron transfer in spatially ordered arrays. Progress report, January 1991--January 1994

    SciTech Connect (OSTI)

    Fox, M.A.

    1994-01-01T23:59:59.000Z

    Objective was to find methods for rapid, controlled placement of light absorbers, relays, and multi-electron catalysts at defined sites with respect to a semiconductor or metal surface and thus to develop methods for preparing chemically modified photoactive surfaces as artificial photosynthetic units. Progress has been made in four areas: synthesis of new materials for directional electron transfer, preparation and characterization of anisotropic composites containing organic and inorganic components, elaboration of mechanisms of electrocatalysis, and development of new methods for surface modification of metals and semiconductors.

  11. Electron Transfer

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField Campaign:INEAWater UseC Supports - Energy3 Pierre Kennepohl1,2 and

  12. Nonlinear Ultrafast Spectroscopy of Electron and Energy Transfer in Molecule Complexes

    SciTech Connect (OSTI)

    Mukamel, Shaul

    2006-02-09T23:59:59.000Z

    The proposed research program will focus on the development of a unified dynamical theoretical framework for calculating the optical response of molecular assemblies and applying it towards studying the interplay of energy and charge transfer in artificial chromophore-aggregate complexes. Applications will be made to poly (p phenylene vinylene), (PPV) oligomers, several families of stilbenoid aggregates with stacking through a cyclophane group, coupled porphyrin arrays, and energy funneling in phenylacetylene dendrimers. The approach is based on formulating the problem using the density- matrix and developing Liouville-space techniques which provide physical insight and are particularly suitable for computing both coherent and incoherent transport. A physical picture based on collective electronic normal modes which represent the dynamics of the optically-driven reduced single electron density matrix will be established. Femtosecond signals and optical properties will be directly related to the motions of electron-hole pairs in real space, completely avoiding the calculation of many-electron excited-state wavefunctions, thus, considerably reducing computational effort. Vibrational and solvent effects will be incorporated. Guidelines for the synthesis of new donor/bridge/acceptor molecules with desired properties such as carrier transport, optical response time scales and fluorescence quantum yields will be developed. The analogy with Thz emission spectroscopy which probes charge carrier dynamic is in semiconductor superlattices will be explored. A systematic procedure for identifying the electronic coherence sizes which control the transport and optical properties will be developed. Localization of electronic transition density matrices of large molecules will be used to break the description of their optical response into coupled chromophores. The proposal is divided into four parts: (i) Collective-Oscillator Representation of Electronic Excitations in Molecular Assemblies; (ii) Nonlinear Optical Spectroscopy of Coupled Chromophores; (iii) Long-Range Electron Transfer and Transport in Solvents with Complex Spectral Densities; (iv) Probing Exciton-Migration by Coherent Femtosecond Spectroscopies.

  13. Vectorially photoinduced electron-transfer processes across water-in-oil interfaces of microemulsions

    SciTech Connect (OSTI)

    Willner, I.; Otvos, J.W.; Calvin, M.

    1980-07-01T23:59:59.000Z

    Artificial photosynthetic devices are potential fuel sources. The basic idea in the design of such devices is a photosensitized electron-transfer that yields chemical species capable of reducing and oxidizing water to hydrogen and oxygen. A fundamental difficulty in effecting this transfer is the thermodynamically favored back reactions of the intermediary redox species. An interfacial model composed of a water-in-oil microemulsion is suggested to provide the separation of these redox species, thereby preventing back-reactions. This model is designed to accomplish the photodecomposition of water in two separate water-in-oil microemulsions coupled by a redox reaction. Phase-transfer of one of the redox products from the water-in-oil interface to the continuous organic phase is the principle by which separation is achieved. The oxidation and reduction sites of the general model have been constructed. One system includes the photosensitized oxidation of a donor, EDTA, solubilized in the water pool, benzylnicotinamide acts as a primary acceptor that mediates by the phase transfer principle the reduction of a secondary acceptor, dimethylamino-azobenzene, solubilized in the continuous organic phase. In system two, involving the photosensitized reduction of methyl viologen, by tris(2,2'bipyridine)Ru(2+), thioophenol is used as the donor and its oxidation product is phase transferred to the continuous organic phase. The photoinduced processes accomplished in the two systems proceed along an uphill gradient of free energy. Two water soluble zinc-porphyrins can substitute for the Ru(2+) complex in the second system. As the two Zn-porphyrins are oppositely charged, the effect of electrostatic interactions on the quantum yields of viologen reduction could be evaluated. The results suggest that the surface charge of the wateroil interface strongly influences the efficiency of electron-transfer.

  14. Metal complex-based electron-transfer mediators in dye-sensitized solar cells

    DOE Patents [OSTI]

    Elliott, C. Michael (Fort Collins, CO); Sapp, Shawn A. (Broomfield, CO); Bignozzi, Carlo Alberto (Ferrara, IT); Contado, Cristiano (Legnago, IT); Caramori, Stefano (Viconovo, IT)

    2006-03-28T23:59:59.000Z

    This present invention provides a metal-ligand complex and methods for using and preparing the same. In particular, the metal-ligand complex of the present invention is of the formula: L.sub.a-M-X.sub.b where L, M, X, a, and b are those define herein. The metal-ligand complexes of the present invention are useful in a variety of applications including as electron-transfer mediators in dye-sensitized solar cells and related photoelectrochromic devices.

  15. IRS Data Retrieval Tool Data is available within 1-2 weeks of electronically filing your taxes or 6-8 weeks of filling a paper tax return.

    E-Print Network [OSTI]

    Delene, David J.

    IRS Data Retrieval Tool Data is available within 1-2 weeks of electronically filing your taxes or 6: How to Use the IRS Data Retrieval Tool 1. Go to www.fafsa.ed.gov and click "Start Here". Enter you want to use the Data Retrieval tool for the STUDENT ONLY, press "next" at the bottom of the page

  16. Electronics Division Technical Note No. 189 File: \\\\EAGLE\\cv-cdl-sis\\Docs\\Rack\\SIS Mixer Bias Supply\\Simulation\\Report2.doc Page 1 of 5

    E-Print Network [OSTI]

    Groppi, Christopher

    1 to protect the mixer junction from static discharge1 . The mixers are powered by bias suppliesElectronics Division Technical Note No. 189 File: \\\\EAGLE\\cv-cdl-sis\\Docs\\Rack\\SIS Mixer Bias Supply\\Simulation\\Report2.doc Page 1 of 5 Stability Analysis of SIS Mixer Bias Supply with 1K Ohm

  17. In Search of the Inverted Region: Chromophore-Based Driving Force Dependence of Interfacial Electron Transfer Reactivity at the Nanocrystalline Titanium Dioxide

    E-Print Network [OSTI]

    Electron Transfer Reactivity at the Nanocrystalline Titanium Dioxide Semiconductor/Solution Interface Susan: June 20, 2000 Intentional variations of the driving force for back electron transfer from titanium electron transfer for several variants of the classic tris polypyridyl ruthenium/nanocrystalline titanium

  18. Electrostatic models of electron-driven proton transfer across a lipid membrane

    E-Print Network [OSTI]

    Anatoly Yu. Smirnov; Lev G. Mourokh; Franco Nori

    2010-11-29T23:59:59.000Z

    We present two models for electron-driven uphill proton transport across lipid membranes, with the electron energy converted to the proton gradient via the electrostatic interaction. In the first model, associated with the cytochrome c oxidase complex in the inner mitochondria membranes, the electrostatic coupling to the site occupied by an electron lowers the energy level of the proton-binding site, making the proton transfer possible. In the second model, roughly describing the redox loop in a nitrate respiration of E. coli bacteria, an electron displaces a proton from the negative side of the membrane to a shuttle, which subsequently diffuses across the membrane and unloads the proton to its positive side. We show that both models can be described by the same approach, which can be significantly simplified if the system is separated into several clusters, with strong Coulomb interaction inside each cluster and weak transfer couplings between them. We derive and solve the equations of motion for the electron and proton creation/annihilation operators, taking into account the appropriate Coulomb terms, tunnel couplings, and the interaction with the environment. For the second model, these equations of motion are solved jointly with a Langevin-type equation for the shuttle position. We obtain expressions for the electron and proton currents and determine their dependence on the electron and proton voltage build-ups, on-site charging energies, reorganization energies, temperature, and other system parameters. We show that the quantum yield in our models can be up to 100% and the power-conversion efficiency can reach 35%.

  19. Interfacial electron transfer dynamics of ru(II)-polypy6ridine sensitized TiO2

    SciTech Connect (OSTI)

    Jakubikova, Elena [Los Alamos National Laboratory; Martin, Richard L [Los Alamos National Laboratory; Batista, Enrique R [Los Alamos National Laboratory; Snoeberger, Robert C [YALE UNIV.; Batista, Victor S [YALE UNIV.

    2009-01-01T23:59:59.000Z

    Quantum dynamics simulations combined with density functional theory calculations are applied to study interfacial electron transfer (IET) from pyridine-4-phosphonic acid, [Ru(tpy)(tpy(PO{sub 3}H{sub 2}))]{sup 2+} and [Ru(tpy)(bpy)(H{sub 2}O)-Ru(tpy)(tpy(PO{sub 3}H{sub 2}))]{sup 4+} into the (101) surface of anatase TiO{sub 2}. IET rate from pyridine-4-phosphonic acid attached to the nanoparticle in bidentate mode ({tau} {approx} 100 fs) is an order of magnitude faster than the IET rate of the adsorbate attached in the monodentate mode ({tau} {approx} 1 ps). Upon excitation with visible light, [Ru(tpy)(tpy(PO{sub 3}H{sub 2}))]{sup 2+} attached to TiO{sub 2} in bidentate binding mode will undergo IET with the rate of {approx} 1-10 ps, which is competitive with the excited state decay into the ground state. The probability of electron injection from [Ru(tpy)(bpy)(H{sub 2}O)-Ru(tpy)(tpy(PO{sub 3}H{sub 2}))]{sup 4+} is rather low, as the excitation with visible light localizes the excited electron in the tpy-tpy bridge, which does not have favorable coupling with the TiO{sub 2} nanoparticle. The results are relevant to better understanding of the adsorbate features important for promoting efficient interfacial electron transfer into the semiconductor.

  20. Surface residues dynamically organize water bridges to enhance electron transfer between proteins

    E-Print Network [OSTI]

    de la Lande, Aurlien; ?ez?, Jan; Sanders, Barry C; Salahub, Dennis R; 10.1073/pnas.0914457107

    2010-01-01T23:59:59.000Z

    Cellular energy production depends on electron transfer (ET) between proteins. In this theoretical study, we investigate the impact of structural and conformational variations on the electronic coupling between the redox proteins methylamine dehydrogenase and amicyanin from Paracoccus denitrificans. We used molecular dynamics simulations to generate configurations over a duration of 40ns (sampled at 100fs intervals) in conjunction with an ET pathway analysis to estimate the ET coupling strength of each configuration. In the wild type complex, we find that the most frequently occurring molecular configurations afford superior electronic coupling due to the consistent presence of a water molecule hydrogen-bonded between the donor and acceptor sites. We attribute the persistence of this water bridge to a "molecular breakwater" composed of several hydrophobic residues surrounding the acceptor site. The breakwater supports the function of nearby solvent-organizing residues by limiting the exchange of water molecul...

  1. A parametric study of shock jump chemistry, electron temperature, and radiative heat transfer models in hypersonic flows

    E-Print Network [OSTI]

    Greendyke, Robert Brian

    1988-01-01T23:59:59.000Z

    A PARAMETRIC STUDY OF SHOCK JUMP CHEMISTRY, ELECTRON TEMPERATURE, AND RADIATIVE HEAT TRANSFER MODELS IN HYPERSONIC FLOWS A Thesis by ROBERT BRIAN GREENDYKE Submitted to the Graduate College of Texas A&M University in partial fulfillment... of the requirements for the degree of MASTER OF SCIENCE August 1988 Major Subject: Aerospace Engineering A PARAMETRIC STUDY OF SHOCK JUMP CHEMISTRY, ELECTRON TEMPERATURE, AND RADIATIVE HEAT TRANSFER MODELS IN HYPERSONIC FLOWS A Thesis by ROBERT BRIAN...

  2. In situ Regeneration of NADH via Lipoamide Dehydrogenase-catalyzed Electron Transfer Reaction Evidenced by Spectroelectrochemistry

    SciTech Connect (OSTI)

    Tam, Tsz Kin; Chen, Baowei; Lei, Chenghong; Liu, Jun

    2012-08-01T23:59:59.000Z

    NAD/NADH is a coenzyme found in all living cells, carrying electrons from one reaction to another. We report on characterizations of in situ regeneration of NADH via lipoamide dehydrogenase (LD)-catalyzed electron transfer reaction to regenerate NADH using UV-vis spectroelectrochemistry. The Michaelis-Menten constant (Km) and maximum velocity (Vmax) of NADH regeneration were measured as 0.80 {+-} 0.15 mM and 1.91 {+-} 0.09 {micro}M s-1 in a 1-mm thin-layer spectroelectrochemical cell using gold gauze as the working electrode at the applied potential -0.75 V (vs. Ag/AgCl). The electrocatalytic reduction of the NAD system was further coupled with the enzymatic conversion of pyruvate to lactate by lactate dehydrogenase to examine the coenzymatic activity of the regenerated NADH. Although the reproducible electrocatalytic reduction of NAD into NADH is known to be difficult compared to the electrocatalytic oxidation of NADH, our spectroelectrochemical results indicate that the in situ regeneration of NADH via LD-catalyzed electron transfer reaction is fast and sustainable and can be potentially applied to many NAD/NADH-dependent enzyme systems.

  3. Can direct extracellular electron transfer occur in the absence of outer membrane cytochromes in Desulfovibrio vulgaris?

    SciTech Connect (OSTI)

    Elias, Dwayne A [ORNL] [ORNL; Zane, Mr. Grant M. [University of Missouri, Columbia] [University of Missouri, Columbia; Auer, Dr. Manfred [Lawrence Berkeley National Laboratory (LBNL)] [Lawrence Berkeley National Laboratory (LBNL); Fields, Dr. Matthew Wayne [Montana State University] [Montana State University; Wall, Judy D. [University of Missouri] [University of Missouri; Gorby, Dr. Yuri A. [J. Craig Venter Institute] [J. Craig Venter Institute

    2010-01-01T23:59:59.000Z

    Extracellular electron transfer has been investigated over several decades via forms of soluble electron transfer proteins that are exported for extracellular reoxidation. More recently, several organisms have been shown to reduce extracellular metals via the direct transfer of electron through appendages; also known as nanowires. They have been reported most predominantly in Shewanella and Geobacter. While the relevancy and composition of these structures in each genus has been debated, both possess outer membrane cytochrome complexes that could theoretically come into direct contact with solid phase oxidized metals. Members of the genus Desulfovibrio apparently have no such cytochromes although similar appendages are present, are electrically conductive, and are different from flagella. Upon U(VI)-reduction, the structures in Desulfovibrio become coated with U(IV). Deletion of flagellar genes did not alter soluble or amorphous Fe(III) or U(VI) reduction, or appendage appearance. Removal of the chromosomal pilA gene hampered amorphous Fe(III)-reduction by ca. 25%, but cells lacking the native plasmid, pDV1, reduced soluble Fe(III) and U(VI) at ca. 50% of the wild type rate while amorphous Fe(III)-reduction slowed to ca. 20% of the wild type rate. Appendages were present in all deletions as well as pDV1, except pilA. Gene complementation restored all activities and morphologies to wild type levels. This suggests that pilA encodes the structural component, whereas genes within pDV1 may provide the reactive members. How such appendages function without outer membrane cytochromes is under investigation.

  4. Electronic and vibronic properties of a discotic liquid-crystal and its charge transfer complex

    SciTech Connect (OSTI)

    Haverkate, Lucas A.; Mulder, Fokko M. [Reactor Institute Delft, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629JB Delft (Netherlands)] [Reactor Institute Delft, Faculty of Applied Sciences, Delft University of Technology, Mekelweg 15, 2629JB Delft (Netherlands); Zbiri, Mohamed, E-mail: zbiri@ill.fr; Johnson, Mark R. [Institut Laue Langevin, 38042 Grenoble Cedex 9 (France)] [Institut Laue Langevin, 38042 Grenoble Cedex 9 (France); Carter, Elizabeth [Vibrational Spectroscopy Facility, School of Chemistry, The University of Sydney, NSW 2008 (Australia)] [Vibrational Spectroscopy Facility, School of Chemistry, The University of Sydney, NSW 2008 (Australia); Kotlewski, Arek; Picken, S. [ChemE-NSM, Faculty of Chemistry, Delft University of Technology, 2628BL/136 Delft (Netherlands)] [ChemE-NSM, Faculty of Chemistry, Delft University of Technology, 2628BL/136 Delft (Netherlands); Kearley, Gordon J. [Bragg Institute, Australian Nuclear Science and Technology Organisation, Menai, NSW 2234 (Australia)] [Bragg Institute, Australian Nuclear Science and Technology Organisation, Menai, NSW 2234 (Australia)

    2014-01-07T23:59:59.000Z

    Discotic liquid crystalline (DLC) charge transfer (CT) complexes combine visible light absorption and rapid charge transfer characteristics, being favorable properties for photovoltaic (PV) applications. We present a detailed study of the electronic and vibrational properties of the prototypic 1:1 mixture of discotic 2,3,6,7,10,11-hexakishexyloxytriphenylene (HAT6) and 2,4,7-trinitro-9-fluorenone (TNF). It is shown that intermolecular charge transfer occurs in the ground state of the complex: a charge delocalization of about 10{sup ?2} electron from the HAT6 core to TNF is deduced from both Raman and our previous NMR measurements [L. A. Haverkate, M. Zbiri, M. R. Johnson, B. Deme, H. J. M. de Groot, F. Lefeber, A. Kotlewski, S. J. Picken, F. M. Mulder, and G. J. Kearley, J. Phys. Chem. B 116, 13098 (2012)], implying the presence of permanent dipoles at the donor-acceptor interface. A combined analysis of density functional theory calculations, resonant Raman and UV-VIS absorption measurements indicate that fast relaxation occurs in the UV region due to intramolecular vibronic coupling of HAT6 quinoidal modes with lower lying electronic states. Relatively slower relaxation in the visible region the excited CT-band of the complex is also indicated, which likely involves motions of the TNF nitro groups. The fast quinoidal relaxation process in the hot UV band of HAT6 relates to pseudo-Jahn-Teller interactions in a single benzene unit, suggesting that the underlying vibronic coupling mechanism can be generic for polyaromatic hydrocarbons. Both the presence of ground state CT dipoles and relatively slow relaxation processes in the excited CT band can be relevant concerning the design of DLC based organic PV systems.

  5. Photochemical charge separation in zeolites: Electron transfer dynamics, nanocrystals and zeolitic membranes. Final technical report

    SciTech Connect (OSTI)

    Dutta, Prabir K.

    2001-09-30T23:59:59.000Z

    Aluminosilicate zeolites provide an excellent host for photochemical charge separation. Because of the constraints provided by the zeolite, the back electron transfer from the reduced acceptor to the oxidized sensitizer is slowed down. This provides the opportunity to separate the charge and use it in a subsequent reaction for water oxidation and reduction. Zeolite-based ruthenium oxide catalysts have been found to be efficient for the water splitting process. This project has demonstrated the usefulness of zeolite hosts for photolytic splitting of water.

  6. Electron transfer in a two-level system within a Cole-Davidson vitreous bath

    SciTech Connect (OSTI)

    Zarea, Mehdi, E-mail: m-zarea@northwestern.edu; Ratner, Mark A.; Wasielewski, Michael R. [Argonne-Northwestern Solar Energy Research (ANSER) Center, Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208-3113 (United States)] [Argonne-Northwestern Solar Energy Research (ANSER) Center, Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208-3113 (United States)

    2014-01-14T23:59:59.000Z

    We study electron transfer (ET) in a two level quantum system coupled to a glassy viscous bath. The bath is modeled by the Cole-Davidson (CD) spectral density. The ET in this model is compared to the ET in a normal Drude-Debye (DD) model. It is shown that at low temperatures and when the coupling to the bath is weak, the viscous bath preserves the quantum coherence for a longer time. However in the strong coupling regime, the tunneling rate is higher in the CD. In the classical high temperature limit the difference between the CD and DD models is negligible.

  7. Fragment transition density method to calculate electronic coupling for excitation energy transfer

    SciTech Connect (OSTI)

    Voityuk, Alexander A., E-mail: alexander.voityuk@icrea.cat [Instituci Catalana de Recerca i Estudis Avanats, 08010 Barcelona, Spain and Institut de Qumica Computacional i Catlisi (IQCC), Universitat de Girona 17071 Girona (Spain)

    2014-06-28T23:59:59.000Z

    A general approach, the Fragment Transition Density (FTD) scheme, is introduced to estimate electronic coupling for excitation energy transfer in a molecular system. Within this method, the excitation energies and transition densities of the system are used to derive the coupling matrix element. The scheme allows one to treat systems where exciton donor and acceptor are close together and their exchange interaction and orbital overlap are significant. The FTD method can be applied in combination with any quantum mechanical approach to treat excited states of general nature including single-, double-, and higher excitations. Using FTD approach, we derive excitonic couplings for several systems computed with the CIS, TD DFT and MS-CASPT2 methods. In particular, it is shown that the estimated coupling values in DNA ?-stacks are strongly affected by the short-range electronic interaction of adjacent nucleobases.

  8. Coupled electron-nuclear dynamics: Charge migration and charge transfer initiated near a conical intersection

    SciTech Connect (OSTI)

    Mendive-Tapia, David; Vacher, Morgane; Bearpark, Michael J.; Robb, Michael A. [Department of Chemistry, Imperial College London, London SW7 2AZ (United Kingdom)] [Department of Chemistry, Imperial College London, London SW7 2AZ (United Kingdom)

    2013-07-28T23:59:59.000Z

    Coupled electron-nuclear dynamics, implemented using the Ehrenfest method, has been used to study charge migration with fixed nuclei, together with charge transfer when nuclei are allowed to move. Simulations were initiated at reference geometries of neutral benzene and 2-phenylethylamine (PEA), and at geometries close to potential energy surface crossings in the cations. Cationic eigenstates, and the so-called sudden approximation, involving removal of an electron from a correlated ground-state wavefunction for the neutral species, were used as initial conditions. Charge migration without coupled nuclear motion could be observed if the Ehrenfest simulation, using the sudden approximation, was started near a conical intersection where the states were both strongly coupled and quasi-degenerate. Further, the main features associated with charge migration were still recognizable when the nuclear motion was allowed to couple. In the benzene radical cation, starting from the reference neutral geometry with the sudden approximation, one could observe sub-femtosecond charge migration with a small amplitude, which results from weak interaction with higher electronic states. However, we were able to engineer large amplitude charge migration, with a period between 10 and 100 fs, corresponding to oscillation of the electronic structure between the quinoid and anti-quinoid cationic electronic configurations, by distorting the geometry along the derivative coupling vector from the D{sub 6h} Jahn-Teller crossing to lower symmetry where the states are not degenerate. When the nuclear motion becomes coupled, the period changes only slightly. In PEA, in an Ehrenfest trajectory starting from the D{sub 2} eigenstate and reference geometry, a partial charge transfer occurs after about 12 fs near the first crossing between D{sub 1}, D{sub 2} (N{sup +}-Phenyl, N-Phenyl{sup +}). If the Ehrenfest propagation is started near this point, using the sudden approximation without coupled nuclear motion, one observes an oscillation of the spin density charge migration between the N atom and the phenyl ring with a period of 4 fs. When the nuclear motion becomes coupled, this oscillation persists in a damped form, followed by an effective charge transfer after 30 fs.

  9. Xenotransplantation of mitochondrial electron transfer enzyme, Ndi1, treats myocardial reperfusion injury

    E-Print Network [OSTI]

    Perry, Cynthia Nicole

    2011-01-01T23:59:59.000Z

    Transfer Enzyme, Ndi1, Treats Myocardial Reperfusion InjuryTransfer Enzyme, Ndi1, Treats Myocardial Reperfusion Injury

  10. Impact of environmentally induced fluctuations on quantum mechanically mixed electronic and vibrational pigment states in photosynthetic energy transfer and 2D electronic spectra

    E-Print Network [OSTI]

    Fujihashi, Yuta; Ishizaki, Akihito

    2015-01-01T23:59:59.000Z

    Recently, nuclear vibrational contribution signatures in 2D electronic spectroscopy have attracted considerable interest, in particular as regards interpretation of the oscillatory transients observed in light-harvesting complexes. These transients have dephasing times that persist for much longer than theoretically predicted electronic coherence lifetime. As a plausible explanation for this long-lived spectral beating in 2D electronic spectra, quantum-mechanically mixed electronic and vibrational states (vibronic excitons) were proposed by Christensson et al. [J. Phys. Chem. B 116, 7449 (2012)] and have since been explored. In this work, we address a dimer which produces little beating of electronic origin in the absence of vibronic contributions, and examine the impact of protein-induced fluctuations upon electronic-vibrational quantum mixtures by calculating the electronic energy transfer dynamics and 2D electronic spectra in a numerically accurate manner. It is found that, at cryogenic temperatures, the e...

  11. Structural and orientation effects on electronic energy transfer between silicon quantum dots with dopants and with silver adsorbates

    SciTech Connect (OSTI)

    Vinson, N.; Freitag, H.; Micha, D. A., E-mail: micha@qtp.ufl.edu [Quantum Theory Project, Departments of Chemistry and Physics, University of Florida, Gainesville, Florida 32611 (United States)

    2014-06-28T23:59:59.000Z

    Starting from the atomic structure of silicon quantum dots (QDs), and utilizing ab initio electronic structure calculations within the Frster resonance energy transfer (FRET) treatment, a model has been developed to characterize electronic excitation energy transfer between QDs. Electronic energy transfer rates, K{sub EET}, between selected identical pairs of crystalline silicon quantum dots systems, either bare, doped with Al or P, or adsorbed with Ag and Ag{sub 3}, have been calculated and analyzed to extend previous work on light absorption by QDs. The effects of their size and relative orientation on energy transfer rates for each system have also been considered. Using time-dependent density functional theory and the hybrid functional HSE06, the FRET treatment was employed to model electronic energy transfer rates within the dipole-dipole interaction approximation. Calculations with adsorbed Ag show that: (a) addition of Ag increases rates up to 100 times, (b) addition of Ag{sub 3} increases rates up to 1000 times, (c) collinear alignment of permanent dipoles increases transfer rates by an order of magnitude compared to parallel orientation, and (d) smaller QD-size increases transfer due to greater electronic orbitals overlap. Calculations with dopants show that: (a) p-type and n-type dopants enhance energy transfer up to two orders of magnitude, (b) surface-doping with P and center-doping with Al show the greatest rates, and (c) K{sub EET} is largest for collinear permanent dipoles when the dopant is on the outer surface and for parallel permanent dipoles when the dopant is inside the QD.

  12. 988 IEEE COMMUNICATIONS LETTERS, VOL. 9, NO. 11, NOVEMBER 2005 Modeling TCP Long File Transfer Latency over

    E-Print Network [OSTI]

    Kansas, University of

    . However, TCP connections may be running over a multilink connection that aggregates the bandwidth latency for a long transfer. The performance model is experimentally evaluated by running TCP over MLPPP connections is predicted using the proposed model by varying the call drop rate and the packet loss

  13. Photoinduced electron transfer processes in homogeneous and microheterogeneous solutions. Progress report, April 16, 1992--December 1, 1992

    SciTech Connect (OSTI)

    Whitten, D.G.

    1992-12-01T23:59:59.000Z

    The studies have focused on rapid, efficient bond-fragmentation reactions initiated through photoinduced electron transfer. Electron transfer induced fragmentation of a number of donors have been examined, especially 1,2 diamines and related compounds. Two of the amines fragment with rate constants of 3 {times} 10{sup 8} to 2 {times} 10{sup 9} M{sup {minus}1}sec{sup {minus}1}. A series of amino-substituted pinacols and related compounds have also been examined; they undergo similar but slower fragmentation processes when converted to their cation radicals by photoinduced electron transfer. The studies with linked and polymeric electron donor- electron acceptor coupled molecules have also progressed. Several polymers containing diamine repeat units and anthraquinone or nitroaromatic acceptors have also been prepared that can be photoactivated by visible irradiation; they fragment efficiently in solution and photodegrade even in the solid state. The studies of singlet oxygen initiated fragmentation reactions of diamines, amino alcohols, and aminoketones have nearly been completed. Attention have been turned to fragmentable electron acceptors such as p- cyanobenzyl bromide; irradiation of electron donors such as methyl- or methoxy-naphthalenes can initiate efficient fragmentation of the electron deficient bromide.

  14. Hot-electron-driven charge transfer processes on O2 Pt,,111... surface probed by ultrafast extreme-ultraviolet pulses

    E-Print Network [OSTI]

    Bauer, Michael

    it with an ultrafast laser pulse, charge transfer induced changes in the platinum-oxygen bond were observedHot-electron-driven charge transfer processes on O2 ?Pt,,111... surface probed by ultrafast extreme-ultraviolet pulses C. Lei,1, * M. Bauer,2 K. Read,1 R. Tobey,1 Y. Liu,3 T. Popmintchev,1 M. M. Murnane,1 and H. C

  15. Ultrafast single-electron transfer in coupled quantum dots driven by a few-cycle chirped pulse

    SciTech Connect (OSTI)

    Yang, Wen-Xing, E-mail: wenxingyang2@126.com [Department of Physics, Southeast University, Nanjing 210096 (China); Institute of Photonics Technologies, National Tsing-Hua University, Hsinchu 300, Taiwan (China); Chen, Ai-Xi [Department of Applied Physics, School of Basic Science, East China Jiaotong University, Nanchang 330013 (China); Bai, Yanfeng [Department of Physics, Southeast University, Nanjing 210096 (China); Lee, Ray-Kuang [Institute of Photonics Technologies, National Tsing-Hua University, Hsinchu 300, Taiwan (China)

    2014-04-14T23:59:59.000Z

    We theoretically study the ultrafast transfer of a single electron between the ground states of a coupled double quantum dot (QD) structure driven by a nonlinear chirped few-cycle laser pulse. A time-dependent Schrdinger equation without the rotating wave approximation is solved numerically. We demonstrate numerically the possibility to have a complete transfer of a single electron by choosing appropriate values of chirped rate parameters and the intensity of the pulse. Even in the presence of the spontaneous emission and dephasing processes of the QD system, high-efficiency coherent transfer of a single electron can be obtained in a wide range of the pulse parameters. Our results illustrate the potential to utilize few-cycle pulses for the excitation in coupled quantum dot systems through the nonlinear chirp parameter control, as well as a guidance in the design of experimental implementation.

  16. Resolution of electron and proton transfer events in the electrochromism associated with quinone reduction in bacterial reaction centers.

    SciTech Connect (OSTI)

    Tiede, D. M.; Utschig, L.; Gallo, D. M.; Hanson, D. K.; Augustana Coll.

    1998-01-01T23:59:59.000Z

    We have measured the electrochromic response of the bacteriopheophytin, BPh, and bacteriochlorophyll, BChl, cofactors during the Q{sub A} {sup -}Q{sub B} {yields} Q{sub A}Q{sub B}{sup -} electron transfer in chromatophores of Rhodobacter (Rb.) capsulatus and Rb. sphaeroides. The electrochromic response rises faster in chromatophores and is more clearly biexponential than it is in isolated reaction centers. The chromatophore spectra can be interpreted in terms of a clear kinetic separation between fast electron transfer and slower non-electron transfer events such as proton transfer or protein relaxation. The electrochromic response to electron transfer exhibits rise times of about 4 {micro}s (70%) and 40 {micro}s (30%) in Rb. capsulatus and 4 {micro}s (60%) and 80 {micro}s (40%) in Rb. sphaeroides. The BPh absorption band is shifted to nearly equivalent positions in the Q{sub A}{sup -} and nascent Q{sub B}{sup -} states, indicating that the electrochromic perturbation of BPh absorption from the newly formed Q{sub B}{sup -} state is comparable to that of Q{sub A}{sup -} . Subsequently, partial attenuation of the Q{sub B}{sup -} electrochromism occurs with a time constant on the order of 200 {micro}s. This can be attributed to partial charge compensation by H{sup +} (or other counter ion) movement into the Q{sub B} pocket. Electron transfer events were found to be slower in detergent isolated RCs than in chromatophores, more nearly monoexponential, and overlap H{sup +} transfer, suggesting that a change in rate-limiting step has occurred upon detergent solubilization.

  17. Photoinduced electron transfer reactions in zeolite cages. Progress report, January 15, 1990--August 1, 1992

    SciTech Connect (OSTI)

    Dutta, P.K.

    1992-12-31T23:59:59.000Z

    This report summarizes work in the two areas of zeolites and layered double hydroxides. Results of studies on structural aspects of Ru(bpy){sub 3}{sup 2+}-zeolite Y are summarized. Photoinduced electron transfer between entrapped Ru(bpy){sub 3}{sup 2+} and methylviologen (MV) in neighboring supercages was examined. Benzylviologen was also used. Since molecules larger than 13 {angstrom} cannot be accomodated in zeolite cages, the layered double metal hydroxides (LDH) LiAl{sub 2}(OH){sub 6}{sup +}X{sup {minus}} is being investigated. Organized assemblies of hydrophobic domains are made by introducing into the interlayer long-chain carboxylic acids R(CH{sub 2}){sub n}COOH. Zinc tetraphenylporphyrin sulfonate (ZnTPPS) is introduced into myristate-LiAl-LDH; photolysis of ZnTPPS-AiAl-LDH with MV{sup 2+} in solution was examined.

  18. Free energy, entropy and volume of activation for electron transfer reactions in a polar solvent

    SciTech Connect (OSTI)

    Manjari, Swati R.; Kim, Hyung J. [Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213 (United States)

    2006-07-07T23:59:59.000Z

    A continuum theory with account of cavity size fluctuations is employed to study free energy, volume and entropy of activation for nonadiabatic electron transfer (ET) reactions in polar solvents. By using a two-sphere cavity description, model calculations are performed for charge separation and recombination processes in acetonitrile under ambient conditions. It is found that the cavity size at the transition state varies with the free energy of reaction as well as with the thermodynamic conditions. In contrast to the Marcus theory predictions, the volume and entropy of activation show a monotonic behavior with the free energy of reaction and a strong correlation with each other. For example, for a given ET process, the volume and entropy of activation have the same sign. Their values for the charge separation and recombination processes are opposite in sign. These findings are in good qualitative agreement with measurements.

  19. Unusual mechanism for the short-range electron transfer within gold-alkanethiol-ionic-liquid films of subnanometer thickness

    SciTech Connect (OSTI)

    Khoshtariya, Dimitri E. [Department of Physics and Institute for Biophysics and Bionanosciences, I. Javakhishvili Tbilisi State University, I. Chavchavadze Avenue 3, 0128 Tbilisi, Georgia (United States); Department of Chemistry and Pharmacy, University of Erlangen-Nuernberg, Egerlandstrasse 1, 91058 Erlangen (Germany); Institute of Molecular Biology and Biophysics and Institute of Inorganic Chemistry and Electrochemistry, Gotua 12, 0160 Tbilisi, Georgia (United States); Dolidze, Tina D. [Department of Chemistry and Pharmacy, University of Erlangen-Nuernberg, Egerlandstrasse 1, 91058 Erlangen (Germany); Institute of Molecular Biology and Biophysics and Institute of Inorganic Chemistry and Electrochemistry, Gotua 12, 0160 Tbilisi, Georgia (United States); Eldik, Rudi van [Department of Chemistry and Pharmacy, University of Erlangen-Nuernberg, Egerlandstrasse 1, 91058 Erlangen (Germany)

    2009-12-15T23:59:59.000Z

    Exploiting nanoscopically tunable composite gold-alkanethiol-ionic-liquid/ferrocene self-assembled systems with tunable electron transfer distance, we discovered in the case of thinner alkanethiol films a thermally activated electron transfer pattern totally controlled by the viscosity-related slow relaxation mode(s) of the ionic liquid acting as the reactant's fluctuating environment. This pattern manifested through the activation enthalpy and volume parameters that are identical to those for viscous flow was explained in terms of the extreme adiabatic mechanism with a vanishing Marcus barrier (via the exponential Franck-Condon-like term approaching unity).

  20. Electron transfer reactions in microporous solids. Progress report, June 1991--May 1992

    SciTech Connect (OSTI)

    Mallouk, T.E.

    1992-05-01T23:59:59.000Z

    We have studied electron transfer quenching of the excited state of Ru(bpy){sub 3}{sup 2+} in aqueous suspensions of zeolites Y, L, and mordenite. The internal pore network of the zeolite is ion-exchanged with methylviologen cations, which quench the excited state of the surface-bound sensitizer. A detailed study of the quenching and charge recombination kinetics, using time-resolved luminescence quenching and transient diffuse reflectance spectroscopies, shows to remarkable effects: first, the excited state quenching is entirely dynamic is large-pore zeolites (L and Y), even when they are prepared as apparently ``dry`` powders (which still contain significant amounts of internally sited water). Second, a lower limit for the diffusion coefficient of the MV{sup 2+} ion in these zeolites, determined by this technique, is 10{sup {minus}7} cm{sup 2}sec, i.e., only about one order of magnitude slower than a typical ion in liquid water, and 2--3 orders of magnitude faster than charge transfer diffusion of cations in polyelectrolyte films or membranes such as Nafion. Surface sensitization of internally platinized layered oxide semiconductors such as K{sub 4-x}H{sub x}Nb{sub 6}O{sub 17}{center_dot}nH{sub 2}O (x {approx} 2.5) yields photocatalysts for the production of H{sub 2} and I{sub 3{minus}} in aqueous iodide solutions. Layered alkali niobates and titanates form a class of zeolitic wide-bandap semiconductors, and are the first examples of photocatalysts that evolve hydrogen from an electrochemically reversible (i.e., non-sacrificial) electron donor with visible light excitation.

  1. Electron-transfer photochemistry of thianthrene. Nucleophile-assisted photooxidation to sulfoxide

    SciTech Connect (OSTI)

    Jones, G. II; Huang, B.; Griffin, S.F. (Boston Univ., MA (United States))

    1993-04-09T23:59:59.000Z

    The photochemistry of thianthrene (1) in the presence of a variety of electron acceptors in acetonitrile/water has been investigated. Diffusion-limited rates of fluorescence quenching were observed on excitation of 1 (with fumaronitrile and with methyl phthalate). Alternatively, addition of 1 led to quenching of the fluorescence emission of ketones, biacetyl, and fluorenone and to the quenching of the excited triplet states of quinones such as 2,5-dichloro-p-benzoquinone (5) and 9,10-anthraquinone (3). Steady irradiation of 1 with selected acceptors results in photooxidation yielding the sulfoxide (2) and the expected photoreduction products. The electron-transfer mechanisms were further studied by laser flash photolysis. The quenching of ketone triplets by 1 resulted in formation of the radical cation of 1([lambda][sub max]540 nm). The decay of this species and its dependence on the concentration of water present were determined; the bimolecular rate constant for trapping of 1[sup [center dot]+] by water in acetonitrile-water solution is 4.9 x 10[sup 4] M[sup [minus]1]s[sup [minus]1] under conditions in which 5 acts as a sensitizer. The nucleophilic trapping of the 1 radical cation by imidazole ([kappa] = 3.6 x 10[sup 7] M[sup [minus]1] s[sup [minus]1]) was also investigated. The mechanism of photoinduced two-electron oxidation of 1 and the role played by nucleophiles in facilitating the reaction are discussed in detail. 37 refs., 9 figs., 2 tabs.

  2. 1856 IEEE TRANSACTIONS ON ELECTRON DEVICES, VOL. 57, NO. 8, AUGUST 2010 Harvesting and Transferring Vertical Pillar Arrays of

    E-Print Network [OSTI]

    Islam, M. Saif

    1856 IEEE TRANSACTIONS ON ELECTRON DEVICES, VOL. 57, NO. 8, AUGUST 2010 Harvesting and Transferring Vertical Pillar Arrays of Single-Crystal Semiconductor Devices to Arbitrary Substrates Logeeswaran VJ, Aaron M. Katzenmeyer, and M. Saif Islam Abstract--Development of devices that can be fabricated

  3. Inner-Sphere Electron-Transfer Single Iodide Mechanism for Dye Regeneration in Dye-Sensitized Solar Cells

    E-Print Network [OSTI]

    Goddard III, William A.

    the regeneration of the oxidized dye in dye-sensitized solar cells, the redox couple of I- /I3 - reduces the photo dye- sensitized solar cell (DSSC) in 1991,1 DSSCs have been considered as promising alternativesInner-Sphere Electron-Transfer Single Iodide Mechanism for Dye Regeneration in Dye-Sensitized Solar

  4. Evidence of electron-transfer in the SERS spectra of a single iron-protoporphyrin IX molecule

    E-Print Network [OSTI]

    Tuscia, Universit Degli Studi Della

    cooperating mechanisms: the electromagnetic enhancement (EM) ef- fect associated with an enhanced local field Raman mechanisms and the interfacial electron transfer in hybrid systems. 2004 Elsevier B.V. All- action with the surrounding environment, might be used to locally monitor specific processes at molecular

  5. Ultrafast heterogeneous electron transfer reactions: Comparative theoretical studies on time- and frequency-domain data

    SciTech Connect (OSTI)

    Wang Luxia; Willig, Frank; May, Volkhard [Institut fuer Physik, Humboldt-Universitaet zu Berlin, Newtonstrasse 15, D-12489 Berlin (Germany); Hahn-Meitner-Institut, Abteilung Dynamik von Genzflaechenreaktionen, Glienicker Strasse 100, 14109 Berlin (Germany); Institut fuer Physik, Humboldt-Universitaet zu Berlin, Newtonstrasse 15, D-12489 Berlin (Germany)

    2006-01-07T23:59:59.000Z

    Recent theoretical studies on linear absorption spectra of dye-semiconductor systems [perylene attached to nanostructured TiO{sub 2}, L. Wang et al., J. Phys. Chem. B 109, 9589 (2005)] are extended here in different respects. Since the systems show ultrafast photoinduced heterogeneous electron transfer the time-dependent formulation used to compute the absorbance is also applied to calculate the temporal evolution of the sub-100 fs charge injection dynamics after a 10 fs laser-pulse excitation. These studies complement our recent absorption spectra fit for two perylene bridge-anchor group TiO{sub 2} systems. Moreover, the time-dependent formulation of the absorbance is confronted with a frequency-domain description. The latter underlines the central importance of the self-energy caused by the coupling of the dye levels to the semiconductor band continuum. The used model is further applied to study the effect of different parameters such as (1) the dependence on the reorganization energies of the involved intramolecular transitions, (2) the effect of changing the transfer integral which couples the excited dye state with the band continuum, and (3) the effect of the concrete form of the semiconductor band density of states. Emphasis is also put on the case where the charge injection level of the dye is near or somewhat below the band edge. This nicely demonstrates the change from a structureless absorption to a well-resolved vibrational progression including characteristic shifts of the absorption lines which are a direct measure for the dye-semiconductor coupling.

  6. Monitoring Long-Range Electron Transfer Pathways in Proteins by Stimulated Attosecond Broadband X-ray Raman Spectroscopy

    SciTech Connect (OSTI)

    Zhang, Yu; Biggs, Jason; Govind, Niranjan; Mukamel, Shaul

    2014-10-09T23:59:59.000Z

    Long-range electron transfer (ET) plays a key role in many biological energy conversion and synthesis processes. We show that nonlinear spectroscopy with attosecond X-ray pulses provides a real time movie of the evolving oxidation states and electron densities around atoms, and can probe these processes with high spatial and temporal resolution. This is demonstrated in a simulation study of the stimulated X-ray Raman (SXRS) signals in Re-modified azurin, which had long served as a benchmark for long-range ET in proteins. Nonlinear SXRS signals are sensitive to the local electronic structure and should offer a novel window for long-range ET.

  7. Proton-coupled electron transfer at the Qo-site of the bc1 complex controls the rate of ubihydroquinone oxidation.

    E-Print Network [OSTI]

    Crofts, Antony R.

    1 Proton-coupled electron transfer at the Qo-site of the bc1 complex controls the rate transfer; proton transfer; bc1 complex; Qo-site; Marcus theory; ES-complex Abbreviations: bc1 complex of the transmembrane proton gradient is positive or negative, respectively; PDB#, Protein Data Bank identifier; Q

  8. Surface plasmon enhanced interfacial electron transfer and resonance Raman, surface-enhanced resonance Raman studies of cytochrome C mutants

    SciTech Connect (OSTI)

    Zheng, Junwei

    1999-11-08T23:59:59.000Z

    Surface plasmon resonance was utilized to enhance the electron transfer at silver/solution interfaces. Photoelectrochemical reductions of nitrite, nitrate, and CO{sub 2} were studied on electrochemically roughened silver electrode surfaces. The dependence of the photocurrent on photon energy, applied potential and concentration of nitrite demonstrates that the photoelectrochemical reduction proceeds via photoemission process followed by the capture of hydrated electrons. The excitation of plasmon resonances in nanosized metal structures resulted in the enhancement of the photoemission process. In the case of photoelectrocatalytic reduction of CO{sub 2}, large photoelectrocatalytic effect for the reduction of CO{sub 2} was observed in the presence of surface adsorbed methylviologen, which functions as a mediator for the photoexcited electron transfer from silver metal to CO{sub 2} in solution. Photoinduced reduction of microperoxidase-11 adsorbed on roughened silver electrode was also observed and attributed to the direct photoejection of free electrons of silver metal. Surface plasmon assisted electron transfer at nanostructured silver particle surfaces was further determined by EPR method.

  9. Photofragmentation in linked donor-acceptor molecules. Intramolecular single electron transfer induced cleavage of a 1,2-diamine

    SciTech Connect (OSTI)

    Leon, J.W.; Whitten, D.G. (Univ. of Rochester, NY (United States))

    1993-09-08T23:59:59.000Z

    Two intramolecular donor-acceptor molecules which fragment by a single electron transfer initiated cation radical carbon-carbon bond cleavage have been synthesized and their photoreactivity studied. The intramolecular [open quotes]diads[close quotes] consist of a 1,2-diamine linked via an ester bond to either an anthraquinone or a 9,10-dicyanoanthracene electron-acceptor chromophore. As the covalent linkage between the donor and acceptor chromophores prevents solvent separation of the photogenerated radical ion pair, these systems provide a [open quotes]clock[close quotes] to examine directly competition between fragmentation and back electron transfer. The linked anthraquinone molecule fragments efficiently, with quantum yields approaching 80%, despite the inability of the photoproduced radical ions to separate. These high yields may be attributed to a slow, spin-forbidden back electron transfer and a rapid fragmentation. In contrast, the quantum yields for the dicyanoanthracene diad (reactive singlet) are markedly lower, less than 0.001 in benzene. The reactivity of comparable intermolecular donor-acceptor combinations is also reported. 54 refs., 3 figs., 2 tabs.

  10. Electron Transfer to SF6 and Oriented CH3Br Sean A. Harris, Susan D. Wiediger, and Philip R. Brooks*

    E-Print Network [OSTI]

    Brooks, Philip R.

    ARTICLES Electron Transfer to SF6 and Oriented CH3Br Sean A. Harris, Susan D. Wiediger, and Philip in collisions of unoriented SF6 and oriented CH3Br. For lab energies 5-30 eV, Br- is the only ion observed from the same energetic threshold for forming Br- . SF5 - , SF6 - , and F- ions are observed from SF6 and O2

  11. Application of Momentum Transfer Theory for Ion and Electron Transport in Pure Gases and in Gas Mixtures

    SciTech Connect (OSTI)

    Jovanovic, J.V. [Institute of Physics, P.O.Box 68, 11080 Zemun, Belgrade (Serbia and Montenegro); Faculty of Mechanical Engineering, 11000 Belgrade (Serbia and Montenegro); Vrhovac, S. B. [Institute of Physics, P.O.Box 68, 11080 Zemun, Belgrade (Serbia and Montenegro)

    2004-12-01T23:59:59.000Z

    In this paper we have presented two applications of Momentum Transfer Theory (MTT), which were both aimed at obtaining reliable data for modeling of non-equilibrium plasma. Transport properties of ion swarms in presence of Resonant Charge Transfer (RCT) collisions are studied using Momentum Transfer Theory (MTT). Using the developed MTT we tested a previously available anisotropic set of cross-sections for Ar++Ar collisions bay making the comparisons with the available data for the transverse diffusion coefficient. We also developed an anisotropic set of Ne++Ne integral cross-sections based on the available data for mobility, longitudinal and transverse diffusion. Anisotropic sets of cross-sections are needed for Monte Carlo simulations of ion transport and plasma models. Application of Blanc's Law for drift velocities of electrons and ions in gas mixtures at arbitrary reduced electric field strengths E/n0 was studied theoretically and by numerical examples. Corrections for Blanc's Law that include effects of inelastic collisions were derived. In addition we have derived the common mean energy procedure that was proposed by Chiflikian in a general case both for ions and electrons. Both corrected common E/n0 and common mean energy procedures provide excellent results even for electrons at moderate E/n0 where application of Blanc's Law was regarded as impossible. In mixtures of two gases that have negative differential conductivity (NDC) even when neither of the two pure gases show NDC the Blanc's Law procedure was able to give excellent predictions.

  12. Study of intermediates from transition metal excited-state electron-transfer reactions. [Annual] progress report, August 1, 1989--July 31, 1992

    SciTech Connect (OSTI)

    Hoffman, M.Z.

    1992-07-31T23:59:59.000Z

    Conventional and fast-kinetics techniques of photochemistry, photophysics, radiation chemistry, and electrochemistry were used to study the intermediates involved in transition metal excited-state electron-transfer reactions. These intermediates were excited state of Ru(II) and Cr(III) photosensitizers, their reduced forms, and species formed in reactions of redox quenchers and electron-transfer agents. Of particular concern was the back electron-transfer reaction between the geminate pair formed in the redox quenching of the photosensitizers, and the dependence of its rate on solution medium and temperature in competition with transformation and cage escape processes. (DLC)

  13. Solid State Electron Transfer via Bacterial Nanowires: Contributions Toward a Mechanistic Understanding of Geophysical Response of Biostimulated Subsurface

    SciTech Connect (OSTI)

    Estella Atekwana

    2012-05-08T23:59:59.000Z

    The degradation of organic matter by microorganisms provides a source of electrical potential or so-called 'self potential' (SP) that can be measured by using a voltmeter. During this process electrons are being produced as a waste-product and bacterial cells have to dispose of these to allow for the complete biodegradation of organic matter. Especially in anaerobic microbial communities, exo-cellular electron transfer is the most important driving force behind this process and organisms have developed different, but also similar, ways to transfer electrons to other microorganisms. Recently, it has been postulated that direct electron transfer from cell-to-cell is actually done by 'hard-wired' microorganisms. This shuttling of electrons is most likely done by certain c-type cytochromes that form the functional part of electrically conductive nanowires. In this study we investigated if nanowires can explain the geoelectrical (self potential and spectral induced polarization) signals observed at some biostimulated environments such as DOE sites. The objectives of our project are to: (1) investigate any temporal changes in the geophysical signatures (Self Potential (SP) and Induced Polarization (IP)) associated with nanowires of the bacterium Shewanella oneidensis MR-1, wild type and mtrc/omcA deletion mutant, (2) demonstrate that mutant strains of bacteria that produce nonconductive nanowires do not contribute to geoelectrical responses. We accomplished the following: (1) Provided training to students and a postdoctoral fellow that worked on the project, (2) Conducted several SP & IP measurements correlating the distribution of nanowires and SIP/SP signals in partial fulfillment of object No. 1 and 2. On the following we will report and discuss the results of our last experiment with some emphasis on the source mechanisms of both SP and IP associated with Shewanella oneidensis MR-1, wild type in sand columns.

  14. Euclid File Systems

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

    File storage File storage Disk Quota Change Request Form Euclid File Systems Euclid has 3 kinds of file systems available to users: home directories, scratch directories and...

  15. Kinetics and mechanism of bimolecular electron transfer reaction in quinone-amine systems in micellar solution

    SciTech Connect (OSTI)

    Kumbhakar, Manoj; Nath, Sukhendu; Mukherjee, Tulsi; Pal, Haridas [Radiation Chemistry and Chemical Dynamics Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India)

    2005-02-22T23:59:59.000Z

    Photoinduced electron transfer (ET) reactions between anthraquinone derivatives and aromatic amines have been investigated in sodium dodecyl sulphate (SDS) micellar solutions. Significant static quenching of the quinone fluorescence due to high amine concentration in the micellar phase has been observed in steady-state measurements. The bimolecular rate constants for the dynamic quenching in the present systems k{sub q}{sup TR}, as estimated from the time-resolved measurements, have been correlated with the free energy changes {delta}G{sup 0} for the ET reactions. Interestingly it is seen that the k{sub q}{sup TR} vs {delta}G{sup 0} plot displays an inversion behavior with maximum k{sub q}{sup TR} at around 0.7 eV, a trend similar to that predicted in Marcus ET theory. Like the present results, Marcus inversion in the k{sub q}{sup TR} values was also observed earlier in coumarin-amine systems in SDS and TX-100 micellar solutions, with maximum k{sub q}{sup TR} at around the same exergonicity. These results thus suggest that Marcus inversion in bimolecular ET reaction is a general phenomenon in micellar media. Present observations have been rationalized on the basis of the two-dimensional ET (2DET) theory, which seems to be more suitable for micellar ET reactions than the conventional ET theory. For the quinone-amine systems, it is interestingly seen that k{sub q}{sup TR} vs {delta}G{sup 0} plot is somewhat wider in comparison to that of the coumarin-amine systems, even though the maxima in the k{sub q}{sup TR} vs {delta}G{sup 0} plots appear at almost similar exergonicity for both the acceptor-donor systems. These observations have been rationalized on the basis of the differences in the reaction windows along the solvation axis, as envisaged within the framework of the 2DET theory, and arise due to the differences in the locations of the quinones and coumarin dyes in the micellar phase.

  16. Effect of micellar environment on Marcus correlation curves for photoinduced bimolecular electron transfer reactions

    SciTech Connect (OSTI)

    Kumbhakar, Manoj; Nath, Sukhendu; Mukherjee, Tulsi; Pal, Haridas [Radiation Chemistry and Chemical Dynamics Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India)

    2005-07-15T23:59:59.000Z

    Photoinduced electron transfer (ET) between coumarin dyes and aromatic amine has been investigated in two cationic micelles, namely, cetyltrimethyl ammonium bromide (CTAB) and dodecyltrimethyl ammonium bromide (DTAB), and the results have been compared with those observed earlier in sodium dodecyl sulphate (SDS) and triton-X-100 (TX-100) micelles for similar donor-acceptor pairs. Due to a reasonably high effective concentration of the amines in the micellar Stern layer, the steady-state fluorescence results show significant static quenching. In the time-resolved (TR) measurements with subnanosecond time resolution, contribution from static quenching is avoided. Correlations of the dynamic quenching constants (k{sub q}{sup TR}), as estimated from the TR measurements, show the typical bell-shaped curves with the free-energy changes ({delta}G{sup 0}) of the ET reactions, as predicted by the Marcus outersphere ET theory. Comparing present results with those obtained earlier for similar coumarin-amine systems in SDS and TX-100 micelles, it is seen that the inversion in the present micelles occurs at an exergonicity (-{delta}G{sup 0}>{approx}1.2-1.3 eV) much higher than that observed in SDS and TX-100 micelles (-{delta}G{sup 0}>{approx}0.7 eV), which has been rationalized based on the relative propensities of the ET and solvation rates in different micelles. In CTAB and DTAB micelles, the k{sub q}{sup TR} values are lower than the solvation rates, which result in the full contribution of the solvent reorganization energy ({lambda}{sub s}) towards the activation barrier for the ET reaction. Contrary to this, in SDS and TX-100 micelles, k{sub q}{sup TR} values are either higher or comparable with the solvation rates, causing only a partial contribution of {lambda}{sub s} in these cases. Thus, Marcus inversion in present cationic micelles is inferred to be the true inversion, whereas that in the anionic SDS and neutral TX-100 micelles are understood to be the apparent inversion, as envisaged from two-dimensional ET theory.

  17. IRS Data Retrieval Tool Data is available within 1-2 weeks of electronically filing your taxes or 6-8 weeks of filling a paper tax return. These

    E-Print Network [OSTI]

    Delene, David J.

    IRS Data Retrieval Tool Data is available within 1-2 weeks of electronically filing your taxes or 6 Data Retrieval Tool 1. Go to www.fafsa.ed.gov and click "Start Here". Enter requested information the Data Retrieval tool for the STUDENT ONLY, press "next" at the bottom of the page. To use

  18. Electron Transport and Scattering in Graphene Devices Transferred to SrTiO3 Substrates

    E-Print Network [OSTI]

    Sachs, Raymond

    2013-01-01T23:59:59.000Z

    graphene device on SiO 2 (left) and STO (right). 5.6 PreparationGraphene Field-Effect Transistor Devices . 67 5.4 Measurement Setup . 68 5.5 Device Transfer Technique .. 70 5.6 Preparation

  19. United States-Mexico electricity transfers: Of alien electrons and the migration of undocumented environmental burdens

    SciTech Connect (OSTI)

    Gandara, A. [Univ. of California, Davis, CA (United States)

    1995-08-01T23:59:59.000Z

    This article intends to set forth the necessity for reform in the United States policy and procedures regarding approval of power transfers between the United States and Mexico. In order to do this, the article will review the history of electrical power transfers between the United States and Mexico (Part II), analyze recent regulatory changes in the United States and Mexico which may result in increased power exports to Mexico (Part III), evaluate the extent to which the present permit and authorization system in the United States considers the increased environmental burden of such power transfers (Part IV), and, where appropriate, propose some procedural and policy reforms that could take into account the environmental burdens generated by the production of power destined for transfer across the United States-Mexico border (Part V).

  20. Microscopic mechanism of electron transfer through the hydrogen bonds between carboxylated alkanethiol molecules connected to gold electrodes

    SciTech Connect (OSTI)

    Li, Yang; Tu, Xingchen; Wang, Minglang; Wang, Hao; Hou, Shimin, E-mail: smhou@pku.edu.cn [Centre for Nanoscale Science and Technology, Key Laboratory for the Physics and Chemistry of Nanodevices, Department of Electronics, Peking University, Beijing 100871 (China); Sanvito, Stefano [School of Physics, AMBER and CRANN Institute, Trinity College, Dublin 2 (Ireland)

    2014-11-07T23:59:59.000Z

    The atomic structure and the electron transfer properties of hydrogen bonds formed between two carboxylated alkanethiol molecules connected to gold electrodes are investigated by employing the non-equilibrium Green's function formalism combined with density functional theory. Three types of molecular junctions are constructed, in which one carboxyl alkanethiol molecule contains two methylene, CH{sub 2}, groups and the other one is composed of one, two, or three CH{sub 2} groups. Our calculations show that, similarly to the cases of isolated carboxylic acid dimers, in these molecular junctions the two carboxyl, COOH, groups form two H-bonds resulting in a cyclic structure. When self-interaction corrections are explicitly considered, the calculated transmission coefficients of these three H-bonded molecular junctions at the Fermi level are in good agreement with the experimental values. The analysis of the projected density of states confirms that the covalent AuS bonds localized at the molecule-electrode interfaces and the electronic coupling between COOH and S dominate the low-bias junction conductance. Following the increase of the number of the CH{sub 2} groups, the coupling between COOH and S decreases deeply. As a result, the junction conductance decays rapidly as the length of the H-bonded molecules increases. These findings not only provide an explanation to the observed distance dependence of the electron transfer properties of H-bonds, but also help the design of molecular devices constructed through H-bonds.

  1. Development of a Proteoliposome Model to Probe Transmembrane Electron-Transfer Reactions

    SciTech Connect (OSTI)

    White, Gaye F.; Shi, Zhi; Shi, Liang; Dohnalkova, Alice; Fredrickson, Jim K.; Zachara, John M.; Butt, Julea N.; Richardson, David J.; Clarke, Thomas

    2012-12-01T23:59:59.000Z

    The mineral respiring bacterium Shewanella oneidensis uses a protein complex, MtrCAB, composed of two decaheme cytochromes brought together inside a transmembrane porin to transport electrons across the outer membrane to a variety of mineral-based electron acceptors. A proteoliposome system has been developed that contains methyl viologen (MV) as an internalised electron acceptor and valinomycin (V) as a membrane associated cation exchanger. These proteoliposomes can be used as a model system to investigate MtrCAB function.

  2. A trans-outer membrane porin-cytochrome protein complex for extracellular electron transfer by Geobacter sulfurreducens PCA

    SciTech Connect (OSTI)

    Liu, Yimo; Wang, Zheming; Liu, Juan; Levar, Caleb; Edwards, Marcus; Babauta, Jerome T.; Kennedy, David W.; Shi, Zhi; Beyenal, Haluk; Bond, Daniel R.; Clarke, Thomas A.; Butt, Julea N.; Richardson, David J.; Rosso, Kevin M.; Zachara, John M.; Fredrickson, Jim K.; Shi, Liang

    2014-09-24T23:59:59.000Z

    The multiheme, outer membrane c-type cytochrome (c-Cyt) OmcB of Geobacter sulfurreducens was previously proposed to mediate electron transfer across the outer membrane. However, the underlying mechanism has remained uncharacterized. In G. sulfurreducens, the omcB gene is part of two tandem four-gene clusters, each is predicted to encode a transcriptional factor (OrfR/OrfS), a porin-like outer membrane protein (OmbB/OmbC), a periplasmic c-type cytochrome (OmaB/OmaC), and an outer membrane c-Cyt (OmcB/OmcC), respectively. Here we showed that OmbB/OmbC, OmaB/OmaC and OmcB/OmcC of G. sulfurreducens PCA formed the porin-cytochrome (Pcc) protein complexes, which were involved in transferring electrons across the outer membrane. The isolated Pcc protein complexes reconstituted in proteoliposomes transferred electrons from reduced methyl viologen across the lipid bilayer of liposomes to Fe(III)-citrate and ferrihydrite. The pcc clusters were found in all eight sequenced Geobacter and 11 other bacterial genomes from six different phyla, demonstrating a widespread distribution of Pcc protein complexes in phylogenetically diverse bacteria. Deletion of ombB-omaB-omcB-orfS-ombC-omaC-omcC gene clusters had no impact on the growth of G. sulfurreducens PCA with fumarate, but diminished the ability of G. sulfurreducens PCA to reduce Fe(III)-citrate and ferrihydrite. Complementation with the ombB-omaB-omcB gene cluster restored the ability of G. sulfurreducens PCA to reduce Fe(III)-citrate and ferrihydrite.

  3. High-Affinity Binding and Direct Electron Transfer to Solid Metals...

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

    been suggested to function in concert with other membrane proteins as one of the terminal electron donors in the metal reductase protein complex of Shewanella oneidensis...

  4. Formatting conventions and variable storage are given below for transfer files from Nigel Badnell's dielectronic calculations. Data for an ion is specified by the isoelectronic sequence

    E-Print Network [OSTI]

    Badnell's dielectronic calculations. Data for an ion is specified by the isoelectronic sequence.BADNELL.LIKE() where is the recombining isoelectronic sequence symbol is the specific recombining ion : name meaning SEQ sequence identifier (two characters) IZ0 nuclear charge ADFID ADAS data file type code

  5. Chemical Bonding: The Classical Description sharing or transferring electrons between atoms

    E-Print Network [OSTI]

    Ihee, Hyotcherl

    new arrangements of electrons with lower total potential energy than isolated atoms covalent ionic, actinides, metal, non-metal, semi-metal #12;IONIZATION ENERGY : a measure of the stability of the electron Existence of the SHELLExistence of the SHELL 3.2 Ionization Energies and the Shell Model of Atom #12

  6. Photoinduced Electron Transfer and Solvation in Iodide-doped Acetonitrile Clusters Oli T. Ehrler, Graham B. Griffin, Ryan M. Young, and Daniel M. Neumark*

    E-Print Network [OSTI]

    Neumark, Daniel M.

    Photoinduced Electron Transfer and Solvation in Iodide-doped Acetonitrile Clusters Oli T. Ehrler acetonitrile clusters I- (CH3CN)n with n ) 5-10. Strong modulations of vertical detachment energies were of the I atom leaving the cavity and rearrangement of the acetonitrile molecules to solvate the electron

  7. Blinking suppression of CdTe quantum dots on epitaxial graphene and the analysis with Marcus electron transfer

    SciTech Connect (OSTI)

    Hirose, Takuya; Tamai, Naoto, E-mail: tamai@kwansei.ac.jp [Department of Chemistry, School of Science and Technology, Kwansei Gakuin University, 2-1 Gakuen, Sanda, Hyogo 669-1337 (Japan); Kutsuma, Yasunori; Kurita, Atsusi; Kaneko, Tadaaki [Department of Physics, School of Science and Technology, Kwansei Gakuin University, 2-1 Gakuen, Sanda, Hyogo 669-1337 (Japan)

    2014-08-25T23:59:59.000Z

    We have prepared epitaxial graphene by a Si sublimation method from 4H-SiC. Single-particle spectroscopy of CdTe quantum dots (QDs) on epitaxial graphene covered with polyvinylpyrrolidone (PVP) or polyethylene glycol (PEG) showed the suppression of luminescence blinking and ?10 times decreased luminescence intensity as compared with those on a glass. The electronic coupling constant, H{sub 01}, between CdTe QDs and graphene was calculated to be (3.3??0.4)??10{sup 2?}cm{sup ?1} in PVP and (3.7??0.8)??10{sup 2?}cm{sup ?1} in PEG based on Marcus theory of electron transfer and Tang-Marcus model of blinking with statistical distribution.

  8. pH-Dependent Reduction Potentials and Proton-Coupled Electron Transfer Mechanisms in Hydrogen-Producing Nickel Molecular Electrocatalysts

    SciTech Connect (OSTI)

    Horvath, Samantha; Fernandez, Laura; Appel, Aaron M.; Hammes-Schiffer, Sharon

    2013-04-01T23:59:59.000Z

    The nickel-based Ph Bz 2 2 P N electrocatalysts, which are comprised of a nickel atom and two 1,5-dibenzyl-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane ligands, have been shown to effectively catalyze H2 production in acetonitrile. Recent electrochemical experiments revealed a linear dependence of the NiII/I reduction potential on pH, suggesting a proton-coupled electron transfer (PCET) reaction. In the proposed mechanism, the catalytic cycle begins with a PCET process involving electrochemical electron transfer to the nickel center and intermolecular proton transfer from an acid to the pendant amine ligand. This paper presents quantum mechanical calculations of this PCET process to examine the thermodynamics of the sequential mechanisms, in which either the electron or the proton transfers first (ETPT and PTET, respectively), and the concerted mechanism (EPT). The favored mechanism depends on a balance among many factors, including the acid strength, association free energy for the acidcatalyst complex, PT free energy barrier, and ET reduction potential. The ET reduction potential is less negative after PT, favoring the PTET mechanism, and the association free energy is less positive after reduction, favoring the ETPT mechanism. The calculations, along with analysis of the experimental data, indicate that the sequential ETPT mechanism is favored for weak acids because of the substantial decrease in the association free energy after reduction. For strong acids, however, the PTET mechanism may be favored because the association free energy is somewhat smaller and PT is more thermodynamically favorable. The concerted mechanism could also occur, particularly for intermediate acid strengths. In the context of the entire catalytic cycle for H2 production, the initial PCET process involving intermolecular PT has a more negative reduction potential than the subsequent PCET process involving intramolecular PT. As a result, the second PCET should occur spontaneously, which is consistent with cyclic voltammogram experiments. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences.

  9. Final Report: The Impact of Carbonate on Surface Protonation, Electron Transfer and Crystallization Reactions in Iron Oxide Nanoparticles and Colloids

    SciTech Connect (OSTI)

    Dixon, David Adams [The University of Alabama

    2013-07-02T23:59:59.000Z

    This project addresses key issues of importance in the geochemical behavior of iron oxides and in the geochemical cycling of carbon and iron. For Fe, we are specifically studying the influence of carbonate on electron transfer reactions, solid phase transformations, and the binding of carbonate to reactive sites on the edges of particles. The emphasis on carbonate arises because it is widely present in the natural environment, is known to bind strongly to oxide surfaces, is reactive on the time scales of interest, and has a speciation driven by acid-base reactions. The geochemical behavior of carbonate strongly influences global climate change and CO{sub 2} sequestration technologies. Our goal is to answer key questions with regards to specific site binding, electron transfer reactions, and crystallization reactions of iron oxides that impact both the geochemical cycling of iron and CO{sub 2} species. Our work is focused on the molecular level description of carbonate chemistry in solution including the prediction of isotope fractionation factors. We have also done work on critical atmospheric species.

  10. Excited states and electron transfer in solution : models based on density functional theory

    E-Print Network [OSTI]

    Kowalczyk, Timothy Daniel

    2012-01-01T23:59:59.000Z

    Our understanding of organic materials for solar energy conversion stands to benefit greatly from accurate, computationally tractable electronic structure methods for excited states. Here we apply two approaches based on ...

  11. Theoretical and simulation tools for electron transfer and chain reactions in single walled carbon nanotubes

    E-Print Network [OSTI]

    Nair, Nitish

    2009-01-01T23:59:59.000Z

    Single walled carbon nanotubes (SWNT) are cylindrical sheets of graphene whose electronic structures and diameters are determined by their chiralities. Current synthetic methods produce batches of nanotubes containing a ...

  12. Photoelectrochemistry in particulate systems. 7. Electron-transfer reactions of indium sulfide semiconductor colloids

    SciTech Connect (OSTI)

    Kamat, P.V.; Dimitrijevic, N.M.; Fessenden, R.W.

    1988-04-21T23:59:59.000Z

    Small semiconductor colloids of In/sub 2/S/sub 3/ have been prepared in aqueous and nonaqueous media and their absorption properties characterized. A transient photobleaching and formation of S/sup .-/ and S/sub 2/H/sub 2//sup .-/ radicals have been observed upon laser pulse (355 nm) excitation of these colloids. With the aid of transient absorption spectra, the anodic corrosion process in these semiconductor colloids has been elucidated by using laser flash photolysis and pulse radiolysis techniques. With the use of a zwitterionic viologen compound, the interfacial charge-transfer process at the semiconductor surface has been studied. The quantum yield for the reduction of zwitterionic viologen was 0.07, which is similar to the value obtained with other metal chalcogenide semiconductor colloids. The microenvironment of the stabilizer (Nafion) influenced the charge-transfer process between the semiconductor and the redox decay.

  13. Nanowires, Capacitors, and Other Novel Outer-Surface Components Involved in Electron Transfer to Fe(III) Oxides in Geobacter Species

    SciTech Connect (OSTI)

    Lovley, Derek, R.

    2008-12-22T23:59:59.000Z

    The overall goal of this project was to better understand the mechanisms by which Geobacter species transfer electrons outside the cell onto Fe(III) oxides. The rationale for this study was that Geobacter species are often the predominant microorganisms involved in in situ uranium bioremediation and the growth and activity of the Geobacter species during bioremediation is primarily supported by electron transfer to Fe(III) oxides. These studies greatly expanded the understanding of electron transfer to Fe(III). Novel concepts developed included the potential role of microbial nanowires for long range electron transfer in Geobacter species and the importance of extracytoplasmic cytochromes functioning as capacitors to permit continued electron transfer during the hunt for Fe(III) oxide. Furthermore, these studies provided target sequences that were then used in other studies to tract the activity of Geobacter species in the subsurface through monitoring the abundance of gene transcripts of the target genes. A brief summary of the major accomplishments of the project is provided.

  14. Tunable transfer | EMSL

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

    July 29, 2013 Scientists gain first quantitative insights into electron transfer from minerals to microbes Scientists have gained the first quantitative insights into electron...

  15. Remote File Access 2010

    E-Print Network [OSTI]

    University of Technology, Sydney

    Remote File Access 2010 Mac Users Guide #12;Remote File Access: MAC Users Guide 2010 2 Table Remote File Access 11 Part IV: Using Remote File Access 15 Part V: FAQ 24 #12;Remote File Access: MAC Users Guide 2010 3 1. What is Remote File Access? UTS Remote File Access service is provided to enable

  16. Vectorial electron transfer in spatially ordered arrays. Progress report, January 1991--December 1991

    SciTech Connect (OSTI)

    Fox, M.A.

    1992-01-01T23:59:59.000Z

    Progress has been made in four areas: the synthesis of new materials for directional electron; the preparation and characterization of anisotropic composites bearing organic and inorganic components; the elaboration of mechanisms of electrocatalysis; and the development of new methods for surface modification of metals and semiconductors.

  17. Comparison of Interfacial Electron Transfer through Carboxylate and Phosphonate Anchoring Groups

    E-Print Network [OSTI]

    in many molecule-based devices such as molecular electronics1 and dye-sensitized solar cells.2 Although of anchoring group on the efficiency of dye-sensitized solar cells (DSSCs) has also been investigated. So far) was found to be 30% less.8 In the latter cells, the sensitizer molecules wer

  18. Nonadiabatic Molecular Dynamics Study of Electron Transfer from Alizarin to the Hydrated Ti4+ Ion

    E-Print Network [OSTI]

    The dye-sensitized nanocrystalline solar cell, also known as the Gra¨tzel cell, is a promising alternative that forms the basis of the Gra¨tzel type solar cell. The experimental data and electronic structure to the more costly traditional solar cell.1-5 It employs organic or transition-metal- based chromophores

  19. Electron Transfer Reactivity Patterns at Chemically Modified Electrodes: Fundamentals and Application to the Optimization of Redox Recycling Amplification Systems

    SciTech Connect (OSTI)

    Adam Johan Bergren

    2006-05-01T23:59:59.000Z

    Electroanalytical chemistry is often utilized in chemical analysis and Fundamental studies. Important advances have been made in these areas since the advent of chemically modified electrodes: the coating of an electrode with a chemical film in order to impart desirable, and ideally, predictable properties. These procedures enable the exploitation of unique reactivity patterns. This dissertation presents studies that investigate novel reaction mechanisms at self-assembled monolayers on gold. In particular, a unique electrochemical current amplification scheme is detailed that relies on a selective electrode to enable a reactivity pattern that results in regeneration of the analyte (redox recycling). This regenerating reaction can occur up to 250 times for each analyte molecule, leading to a notable enhancement in the observed current. The requirements of electrode selectivity and the resulting amplification and detection limit improvements are described with respect to the heterogeneous and homogeneous electron transfer rates that characterize the system. These studies revealed that the heterogeneous electrolysis of the analyte should ideally be electrochemically reversible, while that for the regenerating agent should be held to a low level. Moreover, the homogeneous reaction that recycles the analyte should occur at a rapid rate. The physical selectivity mechanism is also detailed with respect to the properties of the electrode and redox probes utilized. It is shown that partitioning of the analyte into/onto the adlayer leads to the extraordinary selectivity of the alkanethiolate monolayer modified electrode. Collectively, these studies enable a thorough understanding of the complex electrode mechanism required for successful redox recycling amplification systems, Finally, in a separate (but related) study, the effect of the akyl chain length on the heterogeneous electron transfer behavior of solution-based redox probes is reported, where an odd-even oscillation (with respect to the number of methylene units in the alkyl chain) was observed. Characterization of the adlayers by infrared reflection spectroscopy, ellipsometry, and wetting revealed odd-even effects in the orientation of the terminal methyl group and hydrophobic character of the adlayers. Using these structural characterizations as a basis, several possible mechanisms that can account for the odd-even effect in the heterogeneous electron transfer rates of solution-based redox couples are discussed.

  20. File Systems

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC) Environmental Assessments (EA)Budget »Travel andFifth Annual RadWasteFileFileFile

  1. Study of intermediates from transition metal excited-state electron-transfer reactions. Progress report, August 1, 1989--December 31, 1991

    SciTech Connect (OSTI)

    Hoffman, M.Z.

    1991-12-31T23:59:59.000Z

    During this period, conventional and fast-kinetics techniques of photochemistry, photophysics, radiation chemistry, and electrochemistry were used for the characterization of the intermediates that are involved in transition metal excited-state electron-transfer reactions. The intermediates of interest were the excited states of Ru(II) and Cr(III) photosensitizers, their reduced forms, and the species formed in the reactions of redox quenchers and electron-transfer agents. Of particular concern has been the back electron-transfer reaction between the geminate pair formed in the redox quenching of the photosensitizers, and the dependence of its rate on solution medium and temperature in competition with transformation and cage escape processes.

  2. NERSC File Systems

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

    Systems NERSC File Systems Overview NERSC file systems can be divided into two categories: local and global. Local file systems are only accessible on a single platform, providing...

  3. Franklin File Systems

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

    Files systems Files systems NERSC's global home and project file systems are available on Franklin. Additionally, Franklin has over 400 TB of locally attached high-performance...

  4. Reorganization asymmetry of electron transfer in ferroelectric media and principles of artificial photosynthesis

    E-Print Network [OSTI]

    Dmitry V. Matyushov

    2006-03-24T23:59:59.000Z

    This study considers electronic transitions within donor-acceptor complexes dissolved in media with macroscopic polarization. The change of the polarizability of the donor-acceptor complex in the course of electronic transition couples to the reaction field of the polar environment and the electric field created by the macroscopic polarization. An analytical theory developed to describe this situation predicts a significant asymmetry of the reorganization energy between charge separation and charge recombination transitions. This result is proved by Monte Carlo simulations of a model polarizable diatomic dissolved in a ferroelectric fluid of soft dipolar spheres. The ratio of the reorganization energies for the forward and backward reactions up to a factor of 25 is obtained in the simulations. This result, as well as the effect of the macroscopic electric field, is discussed in application to the design of efficient photosynthetic devices.

  5. Electron Transfer within Self-Assembling Cyclic Tetramers Using Chlorophyll-Based Donor?Acceptor Building Blocks

    SciTech Connect (OSTI)

    Gunderson, Victoria L.; Smeigh, Amanda L.; Kim, Chul Hoon; Co, Dick T.; Wasielewski, Michael R. (NWU)

    2012-05-09T23:59:59.000Z

    The synthesis and photoinduced charge transfer properties of a series of Chl-based donor-acceptor triad building blocks that self-assemble into cyclic tetramers are reported. Chlorophyll a was converted into zinc methyl 3-ethylpyrochlorophyllide a (Chl) and then further modified at its 20-position to covalently attach a pyromellitimide (PI) acceptor bearing a pyridine ligand and one or two naphthalene-1,8:4,5-bis(dicarboximide) (NDI) secondary electron acceptors to give Chl-PI-NDI and Chl-PI-NDI2. The pyridine ligand within each ambident triad enables intermolecular Chl metal-ligand coordination in dry toluene, which results in the formation of cyclic tetramers in solution, as determined using small- and wide-angle X-ray scattering at a synchrotron source. Femtosecond and nanosecond transient absorption spectroscopy of the monomers in toluene-1% pyridine and the cyclic tetramers in toluene shows that the selective photoexcitation of Chl results in intramolecular electron transfer from 1*Chl to PI to form Chl+{lg_bullet}-PI-{lg_bullet}-NDI and Chl+{lg_bullet}-PI-{lg_bullet}-NDI2. This initial charge separation is followed by a rapid charge shift from PI-{lg_bullet} to NDI and subsequent charge recombination of Chl+{lg_bullet}-PI-NDI-{lg_bullet} and Chl+{lg_bullet}-PI-(NDI)NDI-{lg_bullet} on a 5-30 ns time scale. Charge recombination in the Chl-PI-NDI2 cyclic tetramer ({tau}CR = 30 {+-} 1 ns in toluene) is slower by a factor of 3 relative to the monomeric building blocks ({tau}CR = 10 {+-} 1 ns in toluene-1% pyridine). This indicates that the self-assembly of these building blocks into the cyclic tetramers alters their structures in a way that lengthens their charge separation lifetimes, which is an advantageous strategy for artificial photosynthetic systems.

  6. Watching Electrons Transfer from Metals to Insulators using Two Photon Photoemission

    SciTech Connect (OSTI)

    Johns, James E.

    2010-05-01T23:59:59.000Z

    Ultrafast angle-resolved two photon photoemission was used to study the dynamics and interfacial band structure of ultrathin films adsorbed onto Ag(111). Studies focused on the image potential state (IPS) in each system as a probe for measuring changes in electronic behavior in differing environments. The energetics and dynamics of the IPS at the toluene/Ag(111) interface are strongly dependent upon coverage. For a single monolayer, the first IPS is bound by 0.81 eV below the vacuum level and has a lifetime of 50 femtoseconds (fs). Further adsorption of toluene creates islands of toluene with an exposed wetting layer underneath. The IPS is then split into two peaks, one corresponding to the islands and one corresponding to the monolayer. The wetting layer IPS shows the same dynamics as the monolayer, while the lifetime of the islands increases exponentially with increasing thickness. Furthermore, the island IPS transitions from delocalized to localized within 500 fs, and electrons with larger parallel momenta decay much faster. Attempts were made using a stochastic model to extract the rates of localization and intraband cooling at differing momenta. In sexithiophene (6T) and dihexyl-sexithiophene (DH6T), the IPS was used as a probe to see if the nuclear motion of spectating side chains can interfere with molecular conduction. The energy and band mass of the IPS was measured for 6T and two geometries of DH6T on Ag(111). Electrons injected into the thicker coverages of DH6T grew exponentially heavier until they were completely localized by 230 fs, while those injected into 6T remained nearly free electron like. Based off of lifetime arguments and the density of defects, the most likely cause for the mass enhancement of the IPS in this system is small polaron formation caused by coupling of the electron to vibrations of the alkyl substituents. The energetic relaxation of the molecular adsorbate was also measured to be 20 meV/100 fs for the DH6T, and 0 meV/100 fs for the 6T. This relaxation is consistent with the localization of the charge creating a barrier for it moving from one lattice site to a neighboring one. Finally, the IPS was used to study the evolution of the surface band gap at the Mg/Ag(111) interface. The Mg(0001) surface band gap lies 1.6 eV below the Fermi level, and consequently shows no peak in the projected density of states for the IPS. A method for creating layer by layer growth of Mg on Ag(111) was determined using Auger Spectroscopy and low energy electron diffraction. By monitoring the decay of the intensity of the IPS versus coverage, it was determined that four layers of magnesium on Ag(111) is sufficient to completely eliminate the surface band gap

  7. Measurements of electron transfer from C0? and H? atoms to C? and C?? ions

    E-Print Network [OSTI]

    Flowers-Cha?vez, Stephen

    1988-01-01T23:59:59.000Z

    was to attempt to more effectively drive out the C . C +, and C + ions. These ions were thought to contribute to the creation of Cz+. This was done by lowering the B field to 0. 52 T, lower than for the previous runs, and increasing the external driving signal... showing the split ring electrode, the external magnetic field, and the ion detection system. 2. Typical spectrum obtained from the analog plotter which was connected to the multichannel analyzer (MCA). 3. Shown is the electronic timing sequence used...

  8. The role of Shewanella oneidensis MR-1 outer surface structures in extracellular electron transfer

    SciTech Connect (OSTI)

    Bouhenni, Rachida; Vora, Gary J.; Biffinger, Justin C.; Shirodkar, Sheetal; Brockman, K. L.; Ray, Ricky; Wu, Peter; Johnson, Brandy J.; Biddle, E. M.; Marshall, Matthew J.; Fitzgerald, Lisa A.; Little, Brenda; Fredrickson, Jim K.; Beliaev, Alex S.; Ringeisen, Bradley R.; Saffarini, Daad

    2010-04-20T23:59:59.000Z

    Shewanella oneidensis is a facultative anaerobe that uses more than 14 different terminal electron acceptors for respiration. These include metal oxides and hydroxyoxides, and toxic metals such as uranium and chromium. Mutants deficient in metal reduction were isolated using the mariner transposon derivative, minihimar RB1. These included mutants with transposon insertions in the prepilin peptidase and type II secretion system genes. All mutants were deficient in Fe(III) and Mn(IV) reduction, and exhibited slow growth when DMSO was used as the electron acceptor. The genome sequence of S. oneidensis contains one prepilin peptidase gene, pilD. A similar prepilin peptidase that may function in the processing of type II secretion prepilins was not found. Single and multiple chromosomal deletions of four putative type IV pilin genes did not affect Fe(III) and Mn(IV) reduction. These results indicate that PilD in S. oneidensis is responsible for processing both type IV and type II secretion prepilin proteins. Type IV pili do not appear to be required for Fe(III) and Mn(IV) reduction.

  9. THE ROLE OF 4-HYDROXYPHENYLPYRUVATE DIOXYGENASE IN ENHANCEMENT OF SOLID-PHASE ELECTRON TRANSFER BY SHEWANELLA ONEIDENSIS MR-1

    SciTech Connect (OSTI)

    Turick, C; Amy Ekechukwu, A

    2007-06-01T23:59:59.000Z

    While mechanistic details of dissimilatory metal reduction are far from being understood, it is postulated that the electron transfer to solid metal oxides is mediated by outer membrane-associated c-type cytochromes and redox active electron shuttling compounds. This study focuses on the production of homogensitate in Shewanella oneidensis MR-1, an intermediate of tyrosine degradation pathway, which is a precursor of a redox cycling metabolite, pyomelanin. In this study, we determined that two enzymes involved in this pathway, 4-hydroxyphenylpyruvate dioxygenase (4HPPD) and homogentisate 1,2-dioxygenase are responsible for homogentisate production and oxidation, respectively. Inhibition of 4-HPPD activity with the specific inhibitor sulcotrione (2-(2-chloro-4-methane sulfonylbenzoyl)-1,3-cyclohexanedione), and deletion of melA, a gene encoding 4-HPPD, resulted in no pyomelanin production by S. oneidensis MR-1. Conversely, deletion of hmgA which encodes the putative homogentisate 1,2-dioxygenase, resulted in pyomelanin overproduction. The efficiency and rates, with which MR-1 reduces hydrous ferric oxide, were directly linked to the ability of mutant strains to produce pyomelanin. Electrochemical studies with whole cells demonstrated that pyomelanin substantially increases the formal potential (E{sup o}{prime}) of S. oneidensis MR-1. Based on this work, environmental production of pyomelanin likely contributes to an increased solid-phase metal reduction capacity in Shewanella oneidensis.

  10. Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations

    SciTech Connect (OSTI)

    Kubas, Adam; Blumberger, Jochen, E-mail: j.blumberger@ucl.ac.uk [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom)] [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom); Hoffmann, Felix [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom) [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom); Lehrstuhl fr Theoretische Chemie, Ruhr-Universitt Bochum, Universittsstr. 150, 44801 Bochum (Germany); Heck, Alexander; Elstner, Marcus [Institute of Physical Chemistry, Karlsruhe Institute of Technology, Fritz-Haber-Weg 6, 76131 Karlsruhe (Germany)] [Institute of Physical Chemistry, Karlsruhe Institute of Technology, Fritz-Haber-Weg 6, 76131 Karlsruhe (Germany); Oberhofer, Harald [Department of Chemistry, Technical University of Munich, Lichtenbergstr. 4, 85747 Garching (Germany)] [Department of Chemistry, Technical University of Munich, Lichtenbergstr. 4, 85747 Garching (Germany)

    2014-03-14T23:59:59.000Z

    We introduce a database (HAB11) of electronic coupling matrix elements (H{sub ab}) for electron transfer in 11 ?-conjugated organic homo-dimer cations. High-level ab inito calculations at the multireference configuration interaction MRCI+Q level of theory, n-electron valence state perturbation theory NEVPT2, and (spin-component scaled) approximate coupled cluster model (SCS)-CC2 are reported for this database to assess the performance of three DFT methods of decreasing computational cost, including constrained density functional theory (CDFT), fragment-orbital DFT (FODFT), and self-consistent charge density functional tight-binding (FODFTB). We find that the CDFT approach in combination with a modified PBE functional containing 50% Hartree-Fock exchange gives best results for absolute H{sub ab} values (mean relative unsigned error = 5.3%) and exponential distance decay constants ? (4.3%). CDFT in combination with pure PBE overestimates couplings by 38.7% due to a too diffuse excess charge distribution, whereas the economic FODFT and highly cost-effective FODFTB methods underestimate couplings by 37.6% and 42.4%, respectively, due to neglect of interaction between donor and acceptor. The errors are systematic, however, and can be significantly reduced by applying a uniform scaling factor for each method. Applications to dimers outside the database, specifically rotated thiophene dimers and larger acenes up to pentacene, suggests that the same scaling procedure significantly improves the FODFT and FODFTB results for larger ?-conjugated systems relevant to organic semiconductors and DNA.

  11. More stable hybrid organic solar cells deposited on amorphous Si electron transfer layer

    SciTech Connect (OSTI)

    Samiee, Mehran; Modtland, Brian; Dalal, Vikram L., E-mail: vdalal@iastate.edu [Iowa State University, Dept. of Electrical and Computer Engineering, Ames, Iowa 50011 (United States); Aidarkhanov, Damir [Nazarbayev University, Astana (Kazakhstan)

    2014-05-26T23:59:59.000Z

    We report on defect densities, performance, and stability of organic/inorganic hybrid solar cells produced using n-doped inorganic amorphous silicon-carbide layers as the electron transport layer (ETL). The organic material was poly-3-hexyl-thiophene (P3HT) and heterojunction was formed using phenyl-C{sub 71}-Butyric-Acid-Methyl Ester (PCBM). For comparison, inverted solar cells fabricated using Cs{sub 2}CO{sub 3} as ETL were fabricated. Defect densities and subgap quantum efficiency curves were found to be nearly identical for both types of cells. The cells were subjected to 2xsun illumination and it was found that the cells produced using doped a-Si as ETL were much more stable than the cells produced using Cs{sub 2}CO{sub 3}.

  12. Energetics of Electron Transfer at the Nanocrystalline Titanium Dioxide Semiconductor/ Aqueous Solution Interface: pH Invariance of the Metal-Based Formal Potential of a

    E-Print Network [OSTI]

    Energetics of Electron Transfer at the Nanocrystalline Titanium Dioxide Semiconductor/ Aqueous,4-(CH2PO3)-2,2-bipyridine)3 10-, bound to a nanocrystalline titanium dioxide film shows energy (ECB) of the underlying semiconductor electrode in response to the same environmental

  13. File Systems

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC) Environmental Assessments (EA)Budget »Travel andFifth Annual RadWasteFileFile

  14. Nonadiabatic dynamics of electron transfer in solution: Explicit and implicit solvent treatments that include multiple relaxation time scales

    SciTech Connect (OSTI)

    Schwerdtfeger, Christine A.; Soudackov, Alexander V.; Hammes-Schiffer, Sharon, E-mail: shs3@illinois.edu [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801 (United States)] [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801 (United States)

    2014-01-21T23:59:59.000Z

    The development of efficient theoretical methods for describing electron transfer (ET) reactions in condensed phases is important for a variety of chemical and biological applications. Previously, dynamical dielectric continuum theory was used to derive Langevin equations for a single collective solvent coordinate describing ET in a polar solvent. In this theory, the parameters are directly related to the physical properties of the system and can be determined from experimental data or explicit molecular dynamics simulations. Herein, we combine these Langevin equations with surface hopping nonadiabatic dynamics methods to calculate the rate constants for thermal ET reactions in polar solvents for a wide range of electronic couplings and reaction free energies. Comparison of explicit and implicit solvent calculations illustrates that the mapping from explicit to implicit solvent models is valid even for solvents exhibiting complex relaxation behavior with multiple relaxation time scales and a short-time inertial response. The rate constants calculated for implicit solvent models with a single solvent relaxation time scale corresponding to water, acetonitrile, and methanol agree well with analytical theories in the Golden rule and solvent-controlled regimes, as well as in the intermediate regime. The implicit solvent models with two relaxation time scales are in qualitative agreement with the analytical theories but quantitatively overestimate the rate constants compared to these theories. Analysis of these simulations elucidates the importance of multiple relaxation time scales and the inertial component of the solvent response, as well as potential shortcomings of the analytical theories based on single time scale solvent relaxation models. This implicit solvent approach will enable the simulation of a wide range of ET reactions via the stochastic dynamics of a single collective solvent coordinate with parameters that are relevant to experimentally accessible systems.

  15. Enrichment and Analysis of Nonenzymatically Glycated Peptides: Boronate Affinity Chromatography Coupled with Electron-Transfer Dissociation Mass Spectrometry

    SciTech Connect (OSTI)

    Zhang, Qibin; Tang, Ning; Brock, Jonathan W.; Mottaz, Heather M.; Ames, Jennifer M.; Baynes, John; Smith, Richard D.; Metz, Thomas O.

    2007-06-01T23:59:59.000Z

    Non-enzymatic glycation of peptides and proteins by D-glucose has important implications in the pathogenesis of diabetes mellitus, particularly in the development of diabetic complications. However, no effective high-throughput methods exist for identifying proteins containing this low abundance post-translational modification in bottom-up proteomic studies. In this report, phenylboronate affinity chromatography was used in a two-step enrichment scheme to selectively isolate first glycated proteins and then glycated, tryptic peptides from human serum glycated in vitro. Enriched peptides were subsequently analyzed by alternating electron transfer dissociation (ETD) and collision induced dissociation (CID) tandem mass spectrometry. It was observed that ETD fragmentation mode resulted in a significantly higher number of glycated peptide identifications (87.6% of all identified peptides) versus CID mode (17.0% of all identified peptides), when utilizing dual glycation enrichment on both the protein and peptide level. This study illustrates that phenylboronate affinity chromatography coupled with LC-MS/MS with ETD as the fragmentation mode is an efficient approach for analyses of glycated proteins and can have broad applications in studies of diabetes mellitus.

  16. Ultra-stable Molecule-Surface Architectures at Metal Oxides: Structure, Bonding, and Electron-transfer Processes

    SciTech Connect (OSTI)

    Hamers, Robert John

    2013-12-07T23:59:59.000Z

    Research funded by this project focused on the development of improved strategies for functionalization of metal oxides to enhance charge?transfer processes relevant to solar energy conversion. Initial studies included Fe2O3, WO3, TiO2, SnO2, and ZnO as model oxide systems; these systems were chosen due to differences in metal oxidation state and chemical bonding types in these oxides. Later studies focused largely on SnO2 and ZnO, as these materials show particularly promising surface chemistry, have high electron mobility, and can be readily grown in both spherical nanoparticles and as elongated nanorods. New molecules were synthesized that allowed the direct chemical assembly of novel nanoparticle ?dyadic? structures in which two different oxide materials are chemically joined, leading to an interface that enhances the separation of of charge upon illumination. We demonstrated that such junctions enhance photocatalytic efficiency using model organic compounds. A separate effort focused on novel approaches to linking dye molecules to SnO2 and ZnO as a way to enhance solar conversion efficiency. A novel type of surface binding through

  17. POLICIES AND PROCEDURES ELECTRONIC THESES AND DISSERTATIONS

    E-Print Network [OSTI]

    Scott, Robert A.

    . Submissions can be made from anywhere in the world via the World Wide Web and the file transfer protocol (FTP format. PDF stands for Portable Document Format. A file created in a standard word processing software

  18. Theoretical Examination of Transfer Cavities in a Standing-wave Free-electron Laser Two-beam Accelerator

    E-Print Network [OSTI]

    Govil, R.

    2008-01-01T23:59:59.000Z

    Standing-Wave Free-Electron Laser Two-Beam Accelerator",the Standing-Wave Free-Electron Laser Two-Beam Accelerator",A.M. Sessler, "The Free-Electron Laser as a Power Source for

  19. Study of intermediates from transition metal excited-state electron-transfer reactions. Progress report, April 1, 1984-March 31, 1985. [EDTA-radicals

    SciTech Connect (OSTI)

    Hoffman, M.Z.

    1985-03-31T23:59:59.000Z

    Excited-state inter- and intramolecular electron-transfer reactions lie at the heart of most photochemical solar energy conversion schemes. Our research, which utilizes the techniques of continuous and pulsed photolysis and radiolysis, has focused on three general aspects of these reactions involving transition metal coordination complexes and electron donor-acceptor complexes: (1) the effect of solution medium on the properties and quenching of the excited states; (2) the control of the quantum yield of formation of redox products; and (3) the mechanisms by which reduced species interact with water to yield H/sub 2/ homogeneously and heterogeneously. Research activities are summarized for the following: (1) reaction of methyl viologen with EDTA-radicals; (2) solution medium control of photoredox yields; (3) photochemistry of methyl viologen charge-transfer complexes; (4) thermal reduction of methyl viologen in alkaline solution; (5) formation of dihydrogen from reduced methyl viologen; and (6) photophysics of Cr(III)-polypyridyl complexes.

  20. Photo-induced water oxidation at the aqueous GaN (101?0) interface: Deprotonation kinetics of the first proton-coupled electron-transfer step

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

    Ertem, Mehmed Z. [Brookhaven National Lab. (BNL), Upton, NY (United States); Yale Univ., New Haven, CT (United States); Kharche, Neerav [Brookhaven National Lab. (BNL), Upton, NY (United States); Batista, Victor S. [Yale Univ., New Haven, CT (United States); Hybertsen, Mark S. [Brookhaven National Lab. (BNL), Upton, NY (United States); Tully, John C. [Yale Univ., New Haven, CT (United States); Muckerman, James T. [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2015-04-03T23:59:59.000Z

    Photoeclectrochemical water splitting plays a key role in a promising path to the carbon-neutral generation of solar fuels. Wurzite GaN and its alloys (e.g., GaN/ZnO and InGaN) are demonstrated photocatalysts for water oxidation, and they can drive the overall water splitting reaction when coupled with co-catalysts for proton reduction. In the present work, we investigate the water oxidation mechanism on the prototypical GaN (101?0) surface using a combined ab initio molecular dynamics and molecular cluster model approach taking into account the role of water dissociation and hydrogen bonding within the first solvation shell of the hydroxylated surface. The investigation of free-energy changes for the four proton-coupled electron-transfer (PCET) steps of the water oxidation mechanism shows that the first PCET step for the conversion of Ga-OH to Ga-O?? requires the highest energy input. We further examine the sequential PCETs, with the proton transfer (PT) following the electron transfer (ET), and find that photo-generated holes localize on surface NH sites is thermodynamically more favorable than OH sites. However, proton transfer from OH sites with subsequent localization of holes on oxygen atoms is kinetically favored owing to hydrogen bonding interactions at the GaN (101?0)water interface. We find that the deprotonation of surface OH sites is the limiting factor for the generation of reactive oxyl radical ion intermediates and consequently for water oxidation.

  1. USDOE Technology Transfer, Responses to the Notice of Inquiry

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

    About the National Labs Designated User Facilities TECH TRANSFER AGREEMENTS (CRADA) Cooperative Research and Development Agreement (PDF file | Word doc) User Agreement -...

  2. Data & File Systems

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

    Data Management Policies NERSC File Systems HPSS Data Archive IO Resources for Scientific Applications at NERSC Optimizing IO performance on the Lustre file system IO Formats...

  3. Calculations of Nonlinear Wave-Packet Interferometry Signals in the Pump-Probe Limit as Tests for Vibrational Control over Electronic Excitation Transfer

    E-Print Network [OSTI]

    Jason D. Biggs; Jeffrey A. Cina

    2009-10-12T23:59:59.000Z

    The preceding paper describes a strategy for externally influencing the course of short-time electronic excitation transfer (EET) in molecular dimers and observing the process by nonlinear wave-packet interferometry (nl-WPI). Within a sample of isotropically oriented dimers having a specified internal geometry, a vibrational mode internal to the acceptor chromophore can be preferentially driven by electronically nonresonant impulsive stimulated Raman (or resonant infrared) excitation with a short polarized control pulse. A subsequent electronically resonant polarized pump then preferentially excites the donor, and EET ensues. Here we test both the control strategy and its spectroscopic investigation-with some sacrifice of amplitude-level detail-by calculating the pump-probe difference signal. That signal is the limiting case of the control-influenced nl-WPI signal in which the two pulses in the pump pulse-pair coincide, as do the two pulses in the probe pulse-pair. We present calculated pump-probe difference signals for (1) a model excitation-transfer complex in which two equal-energy monomers each support one moderately Franck-Condon active intramolecular vibration; (2) a simplified model of the covalent dimer dithia-anthracenophane, representing its EET dynamics following selective impulsive excitation of the weakly Franck-Condon active anthracene vibration at 385 cm-1; and (3) a model complex featuring moderate electronic-vibrational coupling in which the site energy of the acceptor chromophore is lower than that of the donor.

  4. FERC Filing

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField8,Dist. Category UC-lFederal Columbia River RiskFatigueFERC-Filing Sign

  5. FERC Filing

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField8,Dist. Category UC-lFederal Columbia River RiskFatigueFERC-Filing

  6. TO: FILE

    Office of Legacy Management (LM)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOn AprilA group currentBradleyTableSelling7 AugustAFRICAN3uj: ;;I : T' j-jE:, ,, TO: FILE

  7. TO: FILE

    Office of Legacy Management (LM)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOn AprilA group currentBradleyTableSelling7 AugustAFRICAN3uj: ;;I : T' j-jE:, ,, TO: FILE3

  8. File Systems

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC) Environmental Assessments (EA)Budget »Travel andFifth Annual RadWasteFile Systems

  9. File Systems

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC) Environmental Assessments (EA)Budget »Travel andFifth Annual RadWasteFile

  10. A parametric study of shock jump chemistry, electron temperature, and radiative heat transfer models in hypersonic flows

    E-Print Network [OSTI]

    Greendyke, Robert Brian

    1988-01-01T23:59:59.000Z

    will examine the radiance model and various step models in order to determine their appropriateness to the flight regime of the AOTV. The final area to be investigated will be the effect of nonequilibrium corrections on the radiative heat transfer models... of T and e T will be valid as long as there is a reasonable amount vNs of nitrogen molecules in the flow. Radiative Heat Transfer Models For this study, four radiative heat transfer models were examined. One of these models is an optically thin radiance...

  11. PDF File

    E-Print Network [OSTI]

    2012-03-22T23:59:59.000Z

    Mar 22, 2012 ... to a nonlinear eigenvalue problems in electronic structure computation. ...... this proves to be a well balanced choice for efficiency and reliability...

  12. Electron transfer through a lipid-bilayer-membrane-aqueous-solution interface and kinetics of the oxidation of viologen radicals in homogeneous and vesicular systems

    SciTech Connect (OSTI)

    Shafirovich, V.Ya.; Levin, P.P.; Khannanov, N.K.; Kuz'min, V.A.

    1986-10-10T23:59:59.000Z

    The purpose of the present work was to study the influence of the nature of the oxidizing agent on the rate constant of the oxidation of viologen radicals in homogeneous and vesicular systems by water-soluble oxidizing agents. In this work the authors used the following water-soluble viologens: methyl viologen, sulfoethyl viologen, trimethylaminopropyl viologen, and octadecyl viologen, which is soluble only in a lipid bilayer. The rate constant for the oxidation of a viologen radical cation in a lipid bilayer by electron acceptors in the aqueous phase, in contrast to the homogeneous reaction, is lower than the rate constant of the diffusion-controlled reaction. The rate of electron transfer on the interface is determined by the interaction of the reactants with the lipid bilayer. The rate constant for electron transfer from a viologen radical cation near the inner surface of a lipid bilayer to viologen near the outer surface with the formation of a radical which is available for oxidation in the external aqueous phase has been determined and has been found to be independent of the nature of the oxidizing agent.

  13. Photo-induced water oxidation at the aqueous GaN (101?0) interface: Deprotonation kinetics of the first proton-coupled electron-transfer step

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

    Ertem, Mehmed Z.; Kharche, Neerav; Batista, Victor S.; Hybertsen, Mark S.; Tully, John C.; Muckerman, James T.

    2015-04-03T23:59:59.000Z

    Photoeclectrochemical water splitting plays a key role in a promising path to the carbon-neutral generation of solar fuels. Wurzite GaN and its alloys (e.g., GaN/ZnO and InGaN) are demonstrated photocatalysts for water oxidation, and they can drive the overall water splitting reaction when coupled with co-catalysts for proton reduction. In the present work, we investigate the water oxidation mechanism on the prototypical GaN (101?0) surface using a combined ab initio molecular dynamics and molecular cluster model approach taking into account the role of water dissociation and hydrogen bonding within the first solvation shell of the hydroxylated surface. The investigation ofmorefree-energy changes for the four proton-coupled electron-transfer (PCET) steps of the water oxidation mechanism shows that the first PCET step for the conversion of Ga-OH to Ga-O?? requires the highest energy input. We further examine the sequential PCETs, with the proton transfer (PT) following the electron transfer (ET), and find that photo-generated holes localize on surface NH sites is thermodynamically more favorable than OH sites. However, proton transfer from OH sites with subsequent localization of holes on oxygen atoms is kinetically favored owing to hydrogen bonding interactions at the GaN (101?0)water interface. We find that the deprotonation of surface OH sites is the limiting factor for the generation of reactive oxyl radical ion intermediates and consequently for water oxidation.less

  14. PDF file

    E-Print Network [OSTI]

    2010-12-20T23:59:59.000Z

    The literature in wireless device energy optimization is quite large .... routing devices is assumed to be Wi-Fi 802.11/n with a nom- ...... IEE Electronics Letters,.

  15. Photodegradation of oligomeric polyesters containing anthraquinone and 1,2-diamine units. Single electron transfer induced cation radical bond cleavage in the solid state

    SciTech Connect (OSTI)

    Leon, J.W.; Whitten, D.G. (Univ. of Rochester, NY (United States))

    1995-03-01T23:59:59.000Z

    Oligomeric polyesters containing light-absorbing anthraquinone electron acceptor chromophores and fragmentable 1,2-diamine donors have been synthesized. Irradiation with [lambda] [ge] 340 nm in solution or as solid films results in photooxidative C-C bond cleavage of the 1,2-diamine units yielding essentially the same products in either case. The solid state photodegradation reaction was monitored using size exclusion chromatography and was found to be substantially less efficient than the corresponding solution reaction. This is attributed to an inefficient forward electron transfer step and the possibility of an induced reversibility of the fragmentation. The efficiency of photodegradation is suggested to be dependent on the donor/acceptor orientations in the solid state. 49 refs., 11 figs., 1 tab.

  16. Laser-Energy Transfer and Enhancement of Plasma Waves and Electron Beams by Interfering High-Intensity Laser Pulses

    E-Print Network [OSTI]

    Umstadter, Donald

    603, Beijing 100080, People's Republic of China (Received 14 February 2003; published 25 November 2003 the higher-power to the lower-power pulse, increasing the amplitude of the plasma wave propagating- sible for the energy transfer in this case differs from that studied in previous long-pulse and low-power

  17. Photoinduced electron transfer in donor-acceptor aryl dyads based on N,N,N`,N`-tetramethyl-p-phenylenedimine as the donor

    SciTech Connect (OSTI)

    Fossum, R.D.; Fox, M.A. [Univ. of Texas, Austin, TX (United States)] [Univ. of Texas, Austin, TX (United States); Gelormini, A.M.; Pearson, A.J. [Case Western Reserve Univ., Cleveland, OH (United States)] [Case Western Reserve Univ., Cleveland, OH (United States)

    1997-04-03T23:59:59.000Z

    The solution-phase photophysics of several electron transfer donor-donor-acceptor assemblies (2 and 3) incorporating N,N,N`,N`-tetramethyl-p-phenylenediamine (TMPD) derivatized with piperazyl, piperidyl, morpholinyl, and prolinyl groups in the 1- and 4-positions as donors and N,N-dimethyl-4-nitroaniline, anthraquinone, 3,5-dinitrobenzene, and 2,4-dinitrobenzene as acceptors are described. In measurements of the model compounds 1 incorporating only the donor moieties, flash photolysis generated the radical cation and triplet species of TMPD as evidenced by the superposition of their transient absorption spectra. Lifetime measurements reveal, as well, a delayed fluorescence derived from triplet-triplet annihilation. In 2 and 3, electron transfer from the lowest excited singlet state of TMPD to the various acceptors was established by the following: (1) steady-state emission measurements where the fluorescence of TMPD was drastically quenched by the acceptor, (2) the transient absorption spectra of the radical cation and radical anion of the donor and acceptor, and (3) a single-exponential decay profile in 2 and 3, superseding the biexponential decay observed in the model donor. 37 refs., 3 figs., 2 tabs.

  18. Ab initio calculation of proton-coupled electron transfer rates using the external-potential representation: A ubiquinol complex in solution

    SciTech Connect (OSTI)

    Yamamoto, Takeshi; Kato, Shigeki [Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan)

    2007-06-14T23:59:59.000Z

    In quantum-mechanical/molecular-mechanical (QM/MM) treatment of chemical reactions in condensed phases, one solves the electronic Schroedinger equation for the solute (or an active site) under the electrostatic field from the environment. This Schroedinger equation depends parametrically on the solute nuclear coordinates R and the external electrostatic potential V. This fact suggests that one may use R and V as natural collective coordinates for describing the entire system, where V plays the role of collective solvent variables. In this paper such an (R,V) representation of the QM/MM canonical ensemble is described, with particular focus on how to treat charge transfer processes in this representation. As an example, the above method is applied to the proton-coupled electron transfer of a ubiquinol analog with phenoxyl radical in acetonitrile solvent. Ab initio free-energy surfaces are calculated as functions of R and V using the reference interaction site model self-consistent field method, the equilibrium points and the minimum free-energy crossing point are located in the (R,V) space, and then the kinetic isotope effects (KIEs) are evaluated approximately. The results suggest that a stiffer proton potential at the transition state may be responsible for unusual KIEs observed experimentally for related systems.

  19. Numerical Methods & .m Files

    E-Print Network [OSTI]

    1910-70-10T23:59:59.000Z

    Save this file as a .m file with the SAME name as your function. The above example would be saved as fcn1.m. You can check if your function has been saved...

  20. Standard interface file handbook

    SciTech Connect (OSTI)

    Shapiro, A.; Huria, H.C. (Cincinnati Univ., OH (United States))

    1992-10-01T23:59:59.000Z

    This handbook documents many of the standard interface file formats that have been adopted by the US Department of Energy to facilitate communications between and portability of, various large reactor physics and radiation transport software packages. The emphasis is on those files needed for use of the VENTURE/PC diffusion-depletion code system. File structures, contents and some practical advice on use of the various files are provided.

  1. Electron-Transfer from H-2 and Ar to Stored Multiply Charged Argon Ions Produced by Synchrotron Radiation

    E-Print Network [OSTI]

    Kravis, S. D.; Church, David A.; Johnson, B. M.; Meron, M.; Jones, K. W.; Levin, J. C.; Sellin, I. A.; Azuma, Y.; Berrahmansour, N.; Berry, H. G.; Druetta, M.

    1992-01-01T23:59:59.000Z

    -shell photoionization of Ar atoms, using broadband synchrotron x-ray radiation. K-electron removal resulted in vacancy cascading, yielding a distribution of argon-ion charge states peaked near Ar4+. The stored ion gas had an initial temperature near 480 K. The basic...

  2. Electron-Transfer from H-2 and Ar to Stored Multiply Charged Argon Ions Produced by Synchrotron Radiation

    E-Print Network [OSTI]

    Kravis, S. D.; Church, David A.; Johnson, B. M.; Meron, M.; Jones, K. W.; Levin, J. C.; Sellin, I. A.; Azuma, Y.; Berrahmansour, N.; Berry, H. G.; Druetta, M.

    1992-01-01T23:59:59.000Z

    -shell photoionization of Ar atoms, using broadband synchrotron x-ray radiation. K-electron removal resulted in vacancy cascading, yielding a distribution of argon-ion charge states peaked near Ar4+. The stored ion gas had an initial temperature near 480 K. The basic...

  3. Remote File PC Users Guide

    E-Print Network [OSTI]

    University of Technology, Sydney

    UTS: ITD Remote File Access 2010 PC Users Guide V3.0 #12;UTS:ITD Remote File Access: PC Users Guide Part III: Accessing Remote File Access 8 Part IV: Using Remote File Access 14 Part V: FAQ 25 #12;UTS:ITD Remote File Access: PC Users Guide v3.0 2010 3 1. What is Remote File Access? UTS Remote File Access

  4. Complex formation between anthraquinone-2,6-disulfonate and a neutral zinc porphyrin. Effects of CTAB micelles on complex stability and photoinduced electron transfer

    SciTech Connect (OSTI)

    Degani, Y.; Willner, I.

    1985-12-19T23:59:59.000Z

    Zinc(II) meso-tetrakis(1-(3-sulfonatopropyl)-4-pyridino), Zn-TPSPyP/sup 0/, forms a complex with anthraquinone-2,6-disulfonate, AQS/sub 2//sup 2 -/. The porphyrin is statically quenched by the quinone acceptor in the complex structure. In the presence of CTAB micelles the complex is separated and AQS/sub 2//sup 2 -/ is bound to the micelles. The excited sensitizer decays to a long-lived triplet state (0.5 ms) and induces the reduction of AQS/sub 2//sup 2 -/. The micelles also function in the charge separation of the electron-transfer products. 22 references, 6 figures, 1 table.

  5. The interaction of flow, heat transfer, and free interfaces in an electron-beam vaporization system for metals

    SciTech Connect (OSTI)

    Westerberg, K.W. [Aspen Technology, Inc., Cambridge, MA (United States); McClelland, M.A. [Lawrence Livermore National Lab., CA (United States); Finlayson, B.A. [Univ. of Washington, Seattle, WA (United States)

    1994-11-01T23:59:59.000Z

    A numerical analysis is made of the liquid flow and energy transport in a system to vaporize metals. The energy from an electron beam heats metal confined in a water-cooled crucible. Metal vaporizes from a hot pool of circulating liquid which is surrounded by a shell of its own solid. Flow in the pool is strongly driven by temperature-induced buoyancy and capillary forces and is located in the transition region between laminar and turbulent flow. At high vaporization rates, the thrust of the departing vapor forms a trench at the beam impact site. A modified finite element method is used to calculate the flow and temperature fields coupled with the interface locations. The mesh is structured with spines that stretch and pivot as the interfaces move. The discretized equations are arranged in an {open_quotes}arrow{close_quotes} matrix and solved using the Newton-Raphson method. The electron-beam power and width are varied for cases involving the high-rate vaporization of aluminum. Attention is focused on the interaction of vaporization, liquid flow, and heat transport in the trench area.

  6. Optical characterization of free electron concentration in heteroepitaxial InN layers using Fourier transform infrared spectroscopy and a 2 Multiplication-Sign 2 transfer-matrix algebra

    SciTech Connect (OSTI)

    Katsidis, C. C. [Department of Materials Science and Technology, University of Crete, P.O. Box 2208, 71003 Heraklion-Crete (Greece); Ajagunna, A. O.; Georgakilas, A. [Microelectronics Research Group, IESL, FORTH, P.O. Box 1385, 71110 Heraklion-Crete (Greece); Physics Department, University of Crete, P.O. Box 2208, 71003 Heraklion-Crete (Greece)

    2013-02-21T23:59:59.000Z

    Fourier Transform Infrared (FTIR) reflectance spectroscopy has been implemented as a non-destructive, non-invasive, tool for the optical characterization of a set of c-plane InN single heteroepitaxial layers spanning a wide range of thicknesses (30-2000 nm). The c-plane (0001) InN epilayers were grown by plasma-assisted molecular beam epitaxy (PAMBE) on GaN(0001) buffer layers which had been grown on Al{sub 2}O{sub 3}(0001) substrates. It is shown that for arbitrary multilayers with homogeneous anisotropic layers having their principal axes coincident with the laboratory coordinates, a 2 Multiplication-Sign 2 matrix algebra based on a general transfer-matrix method (GTMM) is adequate to interpret their optical response. Analysis of optical reflectance in the far and mid infrared spectral range has been found capable to discriminate between the bulk, the surface and interface contributions of free carriers in the InN epilayers revealing the existence of electron accumulation layers with carrier concentrations in mid 10{sup 19} cm{sup -3} at both the InN surface and the InN/GaN interface. The spectra could be fitted with a three-layer model, determining the different electron concentration and mobility values of the bulk and of the surface and the interface electron accumulation layers in the InN films. The variation of these values with increasing InN thickness could be also sensitively detected by the optical measurements. The comparison between the optically determined drift mobility and the Hall mobility of the thickest sample reveals a value of r{sub H} = 1.49 for the Hall factor of InN at a carrier concentration of 1.11 Multiplication-Sign 10{sup 19} cm{sup -3} at 300 Degree-Sign {Kappa}.

  7. UNIX file permissions

    E-Print Network [OSTI]

    ... out sensitive information (like promotion documents and qualifier exams). ... about security, you will want to change your "umask" line in your .cshrc file.

  8. ELCAP Data Assembly and Conversion Project: Report on File Contents

    E-Print Network [OSTI]

    ................................................................................................................7 PNNL Data Files.........................................................................................................................................9 PNNL Site Files.SASLIB.XPT.....................................................................................................................................14 PNNL AVAX Files

  9. Register file soft error recovery

    DOE Patents [OSTI]

    Fleischer, Bruce M.; Fox, Thomas W.; Wait, Charles D.; Muff, Adam J.; Watson, III, Alfred T.

    2013-10-15T23:59:59.000Z

    Register file soft error recovery including a system that includes a first register file and a second register file that mirrors the first register file. The system also includes an arithmetic pipeline for receiving data read from the first register file, and error detection circuitry to detect whether the data read from the first register file includes corrupted data. The system further includes error recovery circuitry to insert an error recovery instruction into the arithmetic pipeline in response to detecting the corrupted data. The inserted error recovery instruction replaces the corrupted data in the first register file with a copy of the data from the second register file.

  10. ELECTRONIC COMPLIANCE AND APPROVAL PROJECT (ECAP)

    SciTech Connect (OSTI)

    Hope Morgan; Richard A. Varela; Deborah LaHood; Susan Cisco; Mary Ann Benavides; Donna Burks

    2002-11-01T23:59:59.000Z

    The Texas Railroad Commission (RRC), working in partnership with the United States Department of Energy and the oil and gas industry it regulates, is implementing a strategy for improving efficiency in regulations and significantly reducing administrative operating costs through the Electronic Compliance and Approval Process (ECAP). The project will streamline regulatory compliance and reporting by providing the ability to electronically submit, process, and query oil and gas applications and reports through the Internet-based ECAP system. Implementation of an ECAP drilling permit pilot project began September 1999 after funding resources were secured--a $700,000 grant from the U.S. Department of Energy and an appropriation of $1.4 million from the Texas Legislature. The pilot project involves creating the ability to file, review, and approve a well's drilling permit application through a completely electronic process. The pilot project solution will ultimately provide the infrastructure, technology, and electronic modules to enable the filing of all compliance permits and performance reports through the internet from a desktop computer. The pilot project was conducted in three phases. The first phase, implemented May 2000, provided the infrastructure that allows the electronic filing and approval of simple drilling permit applications, associated fees, and attachments. The official ''roll-out'' of ECAP and the first electronically filed drilling permit application occurred on May 11, 2000 in Dallas in conjunction with an Internet Workshop sponsored by the Petroleum Technology Transfer Council. After the completion of Phase I, the ECAP team conducted an extensive review of progress to date and analyzed requirements and opportunities for future steps. The technical team identified core infrastructure modifications that would facilitate and better support future development and expansion of the ECAP system and work began on database structure modifications. The second phase of the pilot project was implemented in October 2002. Phase II was the complete rewrite of the ECAP core system and included internal workflow processing capabilities and the ability to process more complex new drill permits such as horizontal, directional, pooled acreage and non-concurrent production restrictions all with additional attachments and reports. Phase III, completed in August 2003, concluded the ECAP pilot project. It allowed the processing of all types of drilling permits and completed the integration with existing geographic information systems, mainframe and electronic document management systems as well as the state payment portal. This report contains detailed information documenting accomplishments and problems encountered during the ECAP pilot project and plans for future steps.

  11. Water-soluble polystyrene latexes as photoredox media. 1. Interfacial fluorescence quenching and triplet-state electron transfer from pyrene and 1-pyrenebutyric acid

    SciTech Connect (OSTI)

    Hsiao, J.S.; Webber, S.E. (Univ. of Texas, Austin (United States))

    1993-08-05T23:59:59.000Z

    Aromatic chromophores (pyrene and 1-pyrenebutyric acid) have been adsorbed on water-soluble polystyrene latex particles (commercially referred to as microspheres) from the aqueous phase. The fluorescence properties and quenching efficiencies of these chromophores have been measured using a zwitterionic viologen SPV (4,4[prime]-bipyridino-l,l[prime]-bis(propanesulfonate)). The quenching mechanism has been found to be diffusion controlled. The electron-transfer quenching of the triplet state by SPV was characterized. Triplet-state quenching does not occur for pyrene embedded in these polystyrene latexes in aqueous solution, which is attributed to the hydrophobic protection of the pyrene from the approach of water-soluble SPV. On the other hand, the efficiencies of charge separation for l-pyrenebutyric acid both in homogeneous aqueous solution and adsorbed on polystyrene latexes in aqueous solution were found to be high. It is proposed that the amphiphilic l-pyrenebutyric acid molecules prefer to reside at the aqueous interface of the latexes. These results demonstrate that [open quotes]compartmentalization[close quotes] of ion pairs, produced by redox quenching, can be achieved when l-pyrenebutyric acid molecules are located at these interfaces. This provides a strategy for more efficient utilization of excited-state redox processes. 17 refs., 9 figs., 5 tabs.

  12. BPA files reciprocity tariff

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

    4 12 BONNEVILLE POWER ADMINISTRATION FOR IMMEDIATE RELEASE Friday, March 30, 2012 CONTACT: Doug Johnson, 503-230-5840 or 503-230-5131 BPA files reciprocity tariff Portland, Ore. -...

  13. The Role of a Dipeptide Outer-Coordination Sphere on H2 -Production Catalysts: Influence on Catalytic Rates and Electron Transfer

    SciTech Connect (OSTI)

    Reback, Matthew L.; Ginovska-Pangovska, Bojana; Ho, Ming-Hsun; Jain, Avijita; Squier, Thomas C.; Raugei, Simone; Roberts, John A.; Shaw, Wendy J.

    2013-02-04T23:59:59.000Z

    The outer-coordination sphere of enzymes acts to fine-tune the active site reactivity and control catalytic rates, suggesting that incorporation of analogous structural elements into molecular catalysts may be necessary to achieve rates comparable to those observed in enzyme systems at low overpotentials. In this work, we evaluate the effect of an amino acid and dipeptide outer-coordination sphere on [Ni(PPh2NPh-R2)2]2+ hydrogen production catalysts. A series of 12 new complexes containing non-natural amino acids or dipeptides were prepared to test the effects of positioning, size, polarity and aromaticity on catalytic activity. The non-natural amino acid was either 3-(meta- or para-aminophenyl)propionic acid terminated as an acid, an ester or an amide. Dipeptides consisted of one of the non-natural amino acids coupled to one of four amino acid esters: alanine, serine, phenylalanine or tyrosine. All of the catalysts are active for hydrogen production, with rates averaging ~1000 s-1, 40% faster than the unmodified catalyst. Structure and polarity of the aliphatic or aromatic side chains of the C-terminal peptide do not strongly influence rates. However, the presence of an amide bond increases rates, suggesting a role for the amide in assisting catalysis. Overpotentials were lower with substituents at the N-phenyl meta position. This is consistent with slower electron transfer in the less compact, para-substituted complexes, as shown in digital simulations of catalyst cyclic voltammograms and computational modeling of the complexes. Combining the current results with insights from previous results, we propose a mechanism for the role of the amino acid and dipeptide based outer-coordination sphere in molecular hydrogen production catalysts.

  14. LONG TERM FILE MIGRATION - PART II: FILE REPLACEMENT ALGORITHMS

    E-Print Network [OSTI]

    Jay Smith, Alan

    2011-01-01T23:59:59.000Z

    MIGRATION PART II: FILE REPLACEMENT ALGORITHMS Alan Jaymay vary even though replacement fi~~d the pa~ameter value PIe N - P ;, RT I r:. fILE REPLACEMENT ALGORITHMS. I.lan ~1ar

  15. File:CDPHE Industrial Individual Wastewater Discharge Permit...

    Open Energy Info (EERE)

    Industrial Individual Wastewater Discharge Permit Application.pdf Jump to: navigation, search File File history File usage Metadata File:CDPHE Industrial Individual Wastewater...

  16. Threshold Behavior in Electron-Transfer Collisions between Rubidium Atoms and C2F5Cl or C2F5I Molecules

    E-Print Network [OSTI]

    Brooks, Philip R.

    ,5 For example, SF6 attaches electrons to form a metastable SF6 - ion only at zero energy,6 whereas SF6 - (of

  17. The Nature of the Intramolecular Charge Transfer Excited State in p-Pyrrolocyanobenzene (PBN) and Other Derivatives of Benzene Substituted by Electron Donor and Acceptor

    E-Print Network [OSTI]

    Haas, Yehuda

    -Pyrrolocyanobenzene (PBN) and Other Derivatives of Benzene Substituted by Electron Donor and Acceptor Groups Shmuel Zilberg analysis of these compounds, in which benzene is substituted by an electron withdrawing group of benzene and is of a covalent nature. Light emission from this state is due to local excitation

  18. rfs Remote File System Softwarepraktikum fur Fortgeschrittene

    E-Print Network [OSTI]

    rfs Remote File System Softwarepraktikum fur Fortgeschrittene Parallele und Verteilte Systeme. Overview 5 2.1. Remote File System Daemon . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5 2.2. Remote File System Library . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5 2.3. Global Remote

  19. How to use the m-files

    E-Print Network [OSTI]

    shaoh

    2008-11-05T23:59:59.000Z

    How to use the m- files? There is a basic idea of using m-files in Matlab. That is : the m-files written by you ( and you want to use it ) should be in the current...

  20. The Umbrella File System: Storage Management Across Heterogeneous Devices

    E-Print Network [OSTI]

    Garrison, John Allen

    2011-08-08T23:59:59.000Z

    coherent directory structure for users. Particular files are directed to appropriate underlying file systems by intercepting system calls connecting the Virtual File System (VFS) to the underlying file systems. Files are evaluated by a policy module...

  1. Fast and efficient single electron transfer between distant quantum dots S. Hermelin, S. Takada, M. Yamamoto, S. Tarucha, A. D. Wieck et al.

    E-Print Network [OSTI]

    Paris-Sud XI, Universit de

    Cooperative Research Project) Quantum Spin Information Project, Atsugi-shi, Kanagawa 243-0198, Japan 5 to manipulate a single electron or its spin quantum coherently.15 In addition, double dots--i.e., two dots thanks to surface-acoustic-wave assisted transport. In the context of quantum computing, displaced

  2. Semiconductor-Based Interfacial Electron-Transfer Reactivity: Decoupling Kinetics from pH-Dependent Band Energetics in a Dye-Sensitized Titanium Dioxide/Aqueous Solution

    E-Print Network [OSTI]

    H-Dependent Band Energetics in a Dye-Sensitized Titanium Dioxide/Aqueous Solution System Susan G. Yan and Joseph T energy of the electron in the electrode). The observed insensitivity to large changes in band-functionalized ruthenium bipyridyl complexes to- gether with high-area nanocrystalline titanium dioxide films.2

  3. JPEG File Interchange Format

    E-Print Network [OSTI]

    Hamilton, Eric

    2004-03-30T23:59:59.000Z

    interchange format compressed image representation PC or Mac or Unix workstation compatible Standard color space: one or three components. For three components, YCbCr (CCIR 601-256 levels) APP0 marker used to specify Units, X pixel density, Y pixel... by the Macintosh but not by PCs or workstations. JPEG File Interchange Format, Version 1.02 2 Standard color space The color space to be used is YCbCr as defined by CCIR 601 (256 levels). The RGB components calculated by linear conversion from YCbCr shall...

  4. Signature on File

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level:Energy: Grid Integration Redefining What'sis Taking Over Our Instagram Secretary Moniz9 SeptemberSettingUncertainties ElitzaSignon File

  5. Unix File Permissions

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of ScienceandMesa del SolStrengthening aTurbulence mayUndergraduateAbout Us / OurPast EventsFile

  6. MEMORANDUfl J: FILE DATE

    Office of Legacy Management (LM)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOn AprilA group currentBradleyTableSelling CorpNewCF INDUSTRIES,L? .-IGYS IDCSTEJ: FILE

  7. TO: FILE FROM: SUBJECT:

    Office of Legacy Management (LM)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOn AprilA group currentBradleyTableSelling7 AugustAFRICAN3uj: ;;I : T'ncZl' lO--23,TO: FILE

  8. TO: FILE MEMORANDUM

    Office of Legacy Management (LM)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOn AprilA group currentBradleyTableSelling7 AugustAFRICAN3uj: ;;I : T'ncZl'FILE MEMORANDUM

  9. Franklin File Systems

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC) Environmental Assessments (EA)Budget(DANCE) TargetForms &FrancisEmailFile

  10. Euclid File Systems

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC) Environmental Assessments (EA) /Email Announcements Archive Email AnnouncementsFile

  11. Dynamical steering in an electron transfer surface reaction: Oriented NO(v = 3, 0.08 < E{sub i} < 0.89 eV) relaxation in collisions with a Au(111) surface

    SciTech Connect (OSTI)

    Bartels, Nils; Golibrzuch, Kai; Bartels, Christof; Schfer, Tim, E-mail: tschaef4@gwdg.de [Institute of Physical Chemistry, Georg-August University of Gttingen, Tammannstrae 6, 37077 Gttingen (Germany)] [Institute of Physical Chemistry, Georg-August University of Gttingen, Tammannstrae 6, 37077 Gttingen (Germany); Chen, Li [Department of Dynamics at Surfaces, Max Planck Institute for Biophysical Chemistry, Am Faberg 11, 37077 Gttingen (Germany)] [Department of Dynamics at Surfaces, Max Planck Institute for Biophysical Chemistry, Am Faberg 11, 37077 Gttingen (Germany); Auerbach, Daniel J.; Wodtke, Alec M. [Institute of Physical Chemistry, Georg-August University of Gttingen, Tammannstrae 6, 37077 Gttingen (Germany) [Institute of Physical Chemistry, Georg-August University of Gttingen, Tammannstrae 6, 37077 Gttingen (Germany); Department of Dynamics at Surfaces, Max Planck Institute for Biophysical Chemistry, Am Faberg 11, 37077 Gttingen (Germany)

    2014-02-07T23:59:59.000Z

    We report measurements of the incidence translational energy dependence of steric effects in collisions of NO(v = 3) molecules with a Au(111) surface using a recently developed technique to orient beams of vibrationally excited NO molecules at incidence energies of translation between 0.08 and 0.89 eV. Incidence orientation dependent vibrational state distributions of scattered molecules are detected by means of resonance enhanced multiphoton ionization spectroscopy. Molecules oriented with the N-end towards the surface exhibit a higher vibrational relaxation probability than those oriented with the O-end towards the surface. This strong orientation dependence arises from the orientation dependence of the underlying electron transfer reaction responsible for the vibrational relaxation. At reduced incidence translational energy, we observe a reduced steric effect. This reflects dynamical steering and re-orientation of the NO molecule upon its approach to the surface.

  12. Transfer of a weakly bound electron in collisions of Rydberg atoms with neutral particles. I. Long-range interaction effects in the ionic-covalent coupling

    SciTech Connect (OSTI)

    Lebedev, V. S., E-mail: vlebedev@sci.lebedev.ru; Narits, A. A. [Russian Academy of Sciences, Lebedev Physics Institute (Russian Federation)] [Russian Academy of Sciences, Lebedev Physics Institute (Russian Federation)

    2013-10-15T23:59:59.000Z

    Ion-pair formation processes are studied in collisions of Rydberg atoms with neutral particles possessing small electron affinities. Nonadiabatic transitions from a Rydberg covalent term to an ionic term of a quasi-molecule are considered using the modified Landau-Zener theory supplemented with calculation of survival factors of an anion decaying in the Coulomb field of a positive ion core. Using the technique of irreducible tensor operators and the momentum representation of the wavefunction of a highly excited atom, exact expressions are obtained for transition matrix elements and the ionic-covalent coupling parameter. The approach developed in the paper provides the description beyond the scope of a conventional assumption about a small variation of the wavefunction of the Rydberg atom on the range of electron coordinates determined by the characteristic radius of the wavefunction of the anion. This allows one to correctly consider long-range effects of the interaction between a weakly bound electron and the neutral core of a negative ion in processes under study. It is shown by the example of thermal collisions of Xe(nf) atoms with CH{sub 3}CN molecules that this is very important for a reliable quantitative description of anion formation with a low binding energy. The results are compared with experiments and calculations performed within the framework of a number of approximate methods.

  13. Spring 2014 Heat Transfer -2

    E-Print Network [OSTI]

    Virginia Tech

    Spring 2014 Heat Transfer - 2 A thin electronic chip is in the shape of a square wafer, b = 1 cm surface of the chip with a heat transfer coefficient of h = 100 W/m2 -K. Assume the chip has a uniform per side with a mass of m = 0.3 grams and specific heat of C = 103 J/kg-K. The chip is mounted

  14. Nanowires, Capacitors, and Other Novel Outer-Surface Components Involved in Electron Transfer to Fe(III) Oxides in Geobacter Species

    SciTech Connect (OSTI)

    Lovley, Derek R.

    2005-06-01T23:59:59.000Z

    In the past year studies have primarily focused on elucidating the role of pili in electron transport to Fe(III) oxide in Geobacter sulfurreducens. As summarized in last year's report, it was previously found that pili are specifically expressed during growth on Fe(III) oxide and that Fe(III) oxide reduction is inhibited if the gene for the structural pilin protein is deleted. However, it was also found that a pilin-deficient mutant of G. sulfurreducens could attached to Fe(III) oxide as well as wild type.

  15. Globus Online File Transfer - NERSC Tutorial - March 8, 2011

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField8,Dist.NewofGeothermal Heat Pump Basics31/2007Global health response

  16. Save PDF files as Word documents You can save a PDF file as a Word document, even if the file was originally created in a

    E-Print Network [OSTI]

    Segraves, Kari A.

    Save PDF files as Word documents You can save a PDF file as a Word document, even if the file to save. 2. Choose File > Save As > Microsoft Word > Word Document. The Word Document command saves File > Save As > Microsoft Word > Word 97-2003 Document to save a DOC file. Tip: If you want to save

  17. MEMORANDU TO: FILE FHOM: SUBJECT:

    Office of Legacy Management (LM)

    TO: FILE FHOM: SUBJECT: Curre"t: Ll&k&&d l- ; if yes, date contacted 0 Production scale testing Cl Pilot Scale 0 Bench Scale Process 0 Theoretical Studies 0 Sample &...

  18. Barriers to innovation transfer in a remote and rural health, social care & housing setting

    E-Print Network [OSTI]

    Gallimore, Annette

    2011-11-25T23:59:59.000Z

    and insufficient slack resources arising from the rural setting were key reasons for the delay in practice transfer. The project focus shifted from the transfer of electronic single shared assessment to the transfer of improvements to single shared assessment...

  19. Balancing Peer and Server Energy Consumption in Large Peer-to-Peer File Distribution Systems

    E-Print Network [OSTI]

    Andrew, Lachlan

    Balancing Peer and Server Energy Consumption in Large Peer-to-Peer File Distribution Systems}@swin.edu.au Abstract--Network induced energy consumption is a significant fraction of all ICT energy consumption. It is shown that using peer-to-peer and naively minimizing the transfer time results in energy consumption

  20. One-electron-transfer reactions of the couple SO/sub 2//SO/sub 2//sup -/ in aqueous solutions. Pulse radiolytic and cyclic voltametric studies

    SciTech Connect (OSTI)

    Neta, P.; Huie, R.E.; Harriman, A.

    1987-03-12T23:59:59.000Z

    Rate constants for one-electron reduction of SO/sub 2/ by several radicals and for reduction of several compounds by SO/sub 2//sup .-/ radicals were determined by pulse radiolysis at pH 1. SO/sub 2/ is reduced by the (CH/sub 3/)/sub 2/COH radicals with k = 2.1 x 10/sup 9/ M/sup -1/ s/sup -1/ and by viologen radicals and certain porphyrin ..pi..-radical anions with k approx. 10/sup 8/-10/sup 9/ M/sup -1/ s/sup -1/. The SO/sub 2//sup .-/ radical reduces compounds which have reduction potentials more positive than -0.28 V. The rate constants for these reductions vary from < 10/sup 7/ to > 10/sup 9/ M/sup -1/ s/sup -1/ and depend on the redox potentials of the compounds and on other properties such as charge and self-exchange rate. The reduction potentials for SO/sub 2/ and for the porphyrins were determined by cyclic voltametry under identical conditions. These reduction potentials were used along with the rate constants and previously reported self-exchange rates to estimate the self-exchange rate for the couple SO/sub 2//SO/sub 2//sup .-/ in acidic solutions. The calculated values were found to vary over many orders of magnitude, similar to the situation reported before for the O/sub 2//O/sub 2//sup -/ couple.

  1. Characterization and Development of Advanced Heat Transfer Technologie...

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

    May 18-22, 2009 -- Washington D.C. ape11kelly.pdf More Documents & Publications Characterization and Development of Advanced Heat Transfer Technologies Advanced Power Electronics...

  2. Excitation energy transfer in the photosystem I

    SciTech Connect (OSTI)

    Webber, Andrew N

    2012-09-25T23:59:59.000Z

    Photosystem I is a multimeric pigment protein complex in plants, green alage and cyanobacteria that functions in series with Photosystem II to use light energy to oxidize water and reduce carbon dioxide. The Photosystem I core complex contains 96 chlorophyll a molecules and 22 carotenoids that are involved in light harvesting and electron transfer. In eucaryotes, PSI also has a peripheral light harvesting complex I (LHCI). The role of specific chlorophylls in excitation and electron transfer are still unresolved. In particular, the role of so-called bridging chlorophylls, located between the bulk antenna and the core electron transfer chain, in the transfer of excitation energy to the reaction center are unknown. During the past funding period, site directed mutagenesis has been used to create mutants that effect the physical properties of these key chlorophylls, and to explore how this alters the function of the photosystem. Studying these mutants using ultrafast absorption spectroscopy has led to a better understanding of the process by which excitation energy is transferred from the antenna chlorophylls to the electron transfer chain chlorophylls, and what the role of connecting chlorophylls and A_0 chlorophylls is in this process. We have also used these mutants to investigate whch of the central group of six chlorophylls are involved in the primary steps of charge separation and electron transfer.

  3. Energetics and Dynamics of Electron Transfer and Proton Transfer...

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

    and MnIII(salen)+ with several angiotensin peptide analogs was studied using a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) specially equipped to...

  4. Data file management in the DIII-D data acquisition and analysis computer systems

    SciTech Connect (OSTI)

    McHarg, B.B. Jr.

    1989-11-01T23:59:59.000Z

    DIII-D is a large tokamak plasma physics and fusion energy research experiment funded by the Department of Energy. Each shot of the experiment results in data files containing between 20 and 30 Mbytes of data. These shots occur about once every 10 minutes with 40 to 50 shots per operating day. Over 1.2 gigabytes have been acquired in one daily session. Most of this data is acquired by MODCOMP Classic computers and is transferred via a Network Systems Hyperchannel to the DIII-D DEC VAX cluster system which is connected via Ether-net to the User Service Center DEC VAX cluster system. Some other data is acquired by local MicroVAX based plasma diagnostic systems and is transferred via DECnet to the DIII-D cluster. A substantial part of these VAX cluster systems is devoted to handling the large data files so as to maintain availability of the data for users, provide for shot archiving and shot restoration capabilities, and at the same time allow for new data to be received into the systems. Many of these tasks are carried out in near real time in sequence with a tokamak shot while other tasks are performed periodically throughout operations or during off hours. These tasks include disk space management, data archiving to 6250 and/or 8 mm tape drives, data file migration from the DIII-D cluster to the User Service Center cluster, data file compression, and network wide data file access. 11 refs., 2 figs.

  5. How to batch upload video files with Unison How to batch upload video files with Unison

    E-Print Network [OSTI]

    Benos, Panayiotis "Takis"

    How to batch upload video files with Unison How to batch upload video files with Unison There are two different ways to upload already existing video files into Unison: Upload from the New Session page (only allows one video file to be uploaded at a time) Launching the editor in Composer (allows

  6. DataMover: robust terabyte-scale multi-file replication overwide-area networks

    SciTech Connect (OSTI)

    Sim, Alex; Gu, Junmin; Shoshani, Arie; Natarajan, Vijaya

    2004-04-05T23:59:59.000Z

    Typically, large scientific datasets (order of terabytes) are generated at large computational centers, and stored on mass storage systems. However, large subsets of the data need to be moved to facilities available to application scientists for analysis. File replication of thousands of files is a tedious, error prone, but extremely important task in scientific applications. The automation of the file replication task requires automatic space acquisition and reuse, and monitoring the progress of staging thousands of files from the source mass storage system, transferring them over the network, archiving them at the target mass storage system or disk systems, and recovering from transient system failures. We have developed a robust replication system, called DataMover, which is now in regular use in High-Energy-Physics and Climate modeling experiments. Only a single command is necessary to request multi-file replication or the replication of an entire directory. A web-based tool was developed to dynamically monitor the progress of the multi-file replication process.

  7. File:Rules and Regulations for the Management and Control of...

    Open Energy Info (EERE)

    Facebook icon Twitter icon File:Rules and Regulations for the Management and Control of Designated Ground Water.pdf Jump to: navigation, search File File history File...

  8. File:5 CCR 1001-5 Colorado Stationary Source Permitting and Air...

    Open Energy Info (EERE)

    icon File:5 CCR 1001-5 Colorado Stationary Source Permitting and Air Pollution Control Emission Notice Requirements.pdf Jump to: navigation, search File File history File...

  9. File:Texas NOI for Storm Water Discharges Associated with Construction...

    Open Energy Info (EERE)

    NOI for Storm Water Discharges Associated with Construction Activities (TXR150000).pdf Jump to: navigation, search File File history File usage Metadata File:Texas NOI for Storm...

  10. File:App Commercial Leases and Easements or Amendment or Residential...

    Open Energy Info (EERE)

    App Commercial Leases and Easements or Amendment or Residential Coastal Easements HOA.pdf Jump to: navigation, search File File history File usage Metadata File:App Commercial...

  11. Localized radio frequency communication using asynchronous transfer mode protocol

    DOE Patents [OSTI]

    Witzke, Edward L. (Edgewood, NM); Robertson, Perry J. (Albuquerque, NM); Pierson, Lyndon G. (Albuquerque, NM)

    2007-08-14T23:59:59.000Z

    A localized wireless communication system for communication between a plurality of circuit boards, and between electronic components on the circuit boards. Transceivers are located on each circuit board and electronic component. The transceivers communicate with one another over spread spectrum radio frequencies. An asynchronous transfer mode protocol controls communication flow with asynchronous transfer mode switches located on the circuit boards.

  12. A Metadata-Rich File System

    SciTech Connect (OSTI)

    Ames, S; Gokhale, M B; Maltzahn, C

    2009-01-07T23:59:59.000Z

    Despite continual improvements in the performance and reliability of large scale file systems, the management of file system metadata has changed little in the past decade. The mismatch between the size and complexity of large scale data stores and their ability to organize and query their metadata has led to a de facto standard in which raw data is stored in traditional file systems, while related, application-specific metadata is stored in relational databases. This separation of data and metadata requires considerable effort to maintain consistency and can result in complex, slow, and inflexible system operation. To address these problems, we have developed the Quasar File System (QFS), a metadata-rich file system in which files, metadata, and file relationships are all first class objects. In contrast to hierarchical file systems and relational databases, QFS defines a graph data model composed of files and their relationships. QFS includes Quasar, an XPATH-extended query language for searching the file system. Results from our QFS prototype show the effectiveness of this approach. Compared to the defacto standard, the QFS prototype shows superior ingest performance and comparable query performance on user metadata-intensive operations and superior performance on normal file metadata operations.

  13. Application of Electron Transfer Dissociation Mass Spectrometry...

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

    glycation of peptides and proteins by D-glucose has important implications in diabetes mellitus research, particularly in the context of development of diabetic...

  14. Microsoft Word - Electron transfer.doc

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville PowerCherries 82981-1cnHighandSWPA / SPRA / USACE SWPAURTeC:8CO 2Dances done atReduced

  15. Small file aggregation in a parallel computing system

    DOE Patents [OSTI]

    Faibish, Sorin; Bent, John M.; Tzelnic, Percy; Grider, Gary; Zhang, Jingwang

    2014-09-02T23:59:59.000Z

    Techniques are provided for small file aggregation in a parallel computing system. An exemplary method for storing a plurality of files generated by a plurality of processes in a parallel computing system comprises aggregating the plurality of files into a single aggregated file; and generating metadata for the single aggregated file. The metadata comprises an offset and a length of each of the plurality of files in the single aggregated file. The metadata can be used to unpack one or more of the files from the single aggregated file.

  16. GDCT Initialization File [gdct.ini] Format Specification Guide

    E-Print Network [OSTI]

    Rosebrugh, Robert

    GDCT Initialization File [gdct.ini] Format Specification Guide Written By: Jeremy Bradbury June 22, 2000 Below is the layout of the gdct.ini file. It is important to note the following: · If the gdct.ini to represent that a file does not exist under the "Recent Files" section of the gdct.ini file. [Internal

  17. Unix/Linux Command Reference .com File Commands

    E-Print Network [OSTI]

    Reluga, Tim

    word in the current line Ctrl+U erases the whole line Ctrl+R type to bring up a recent commandUnix/Linux Command Reference .com File Commands ls directory listing ls -al formatted listing output the contents of file head file output the first 10 lines of file tail file output the last 10

  18. FileName//FileDate//PNNL-SA-##### DPA Calculational Methodologies Used in Fission

    E-Print Network [OSTI]

    McDonald, Kirk

    FileName//FileDate//PNNL-SA-##### DPA Calculational Methodologies Used in Fission and Fusion Reactor Materials Applications David Wootan - david.wootan@pnnl.gov, 1-509-372-6865 Radiation Damage

  19. Saving Output to a File (Using Codeblocks or Dev-C++) Saving Your Output to a File

    E-Print Network [OSTI]

    Sokol, Dina

    Saving Output to a File (Using Codeblocks or Dev-C++) Saving Your Output to a File To save | New | Source File. d. In the new window, right-click and select Paste. e. Then select "File | Save as" to save and name the file. i. In the window that pops up, the bottom fill-in box is labelled "Save as type

  20. Transferring Data at NERSC

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

    Data Transferring Data Advice and Overview NERSC provides many facilities for storing data and performing analysis. However, transfering data - whether over the wide area network...

  1. Reading File Bonneville Power Administration

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level:Energy: Grid Integration Redefining What's PossibleRadiation Protection Radiation ProtectionRaising funds forAdvancedAdvancedReading File

  2. NERSC Online Training May 3: Navigating NERSC File Systems

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

    Online Training May 3: Navigating NERSC File Systems NERSC Online Training May 3: Navigating NERSC File Systems April 26, 2011 by Richard Gerber A NERSC training event, "Navigating...

  3. DOE Successfully Resolves Three Enforcement Cases and Files Yet...

    Office of Environmental Management (EM)

    Successfully Resolves Three Enforcement Cases and Files Yet Another DOE Successfully Resolves Three Enforcement Cases and Files Yet Another September 29, 2010 - 5:24pm Addthis The...

  4. File:Notice of Termination for Authorization under TPDES General...

    Open Energy Info (EERE)

    | Sign Up Search File Edit History Facebook icon Twitter icon File:Notice of Termination for Authorization under TPDES General Permit TXR150000.pdf Jump to: navigation,...

  5. Wireless Power Transfer

    ScienceCinema (OSTI)

    None

    2013-11-19T23:59:59.000Z

    Wireless Power Transfer is an innovative approach using magnetic resonance coupling of air core transformers designed for today's growing plug-in electric vehicle market. This technology can provide a convenient, safe and flexible means to charge electric vehicles under stationary and dynamic conditions. Plug-in Electric Vehicles (PEV) are burdened by the need for cable and plug charger, galvanic isolation of the on-board electronics, bulk and cost of this charger and the large energy storage system (ESS) packs needed. With a system where you have to physically plug in there are a number of occasions where the owner could very well forget to charge the vehicle. For stationary applications (like charging of a PHEV at home), ORNL's innovative wireless power transfer technology adds a convenience factor compared to actually plugging in which will mean that the vehicle will have a full charge every morning. Electric vehicle charging must be safe, compact and efficient in order to be convenient for customers. By reconfiguring the transformer and altering the resonance frequency, energy is transferred to the battery with lower energy losses and with fewer demands on the primary circuit by the rest of the transformer system. The ORNL discovery shows that sufficient power for the battery can be transferred from the primary to secondary circuits without significant energy losses if the operating frequency is set at 50% to 95% of the resonance frequency of the circuit. The electrical power is then transmitted to the chargeable battery, which is electrically coupled to the secondary circuit through the air core transformer. Some advantages include: Reduced energy losses during transfer of energy to the battery; A charge potential that is relatively unaffected by up to 25% misalignment of vehicle; and Other receiving components draw less power from the primary circuit. These advantages allow wireless power technology applications to expand at the workplace and beyond as the demand for EV rises. For vehicles that operate over a fixed route such as busses and shuttle vehicles, Wireless Power Transfer (WPT) means that a smaller battery pack can be used. In the traditional system, the battery pack is designed to accommodate the needs of the entire route or shift. With WPT the battery can be downsized because it can be charged when the vehicle stops on its route (a rental car shuttle bus, for example, can charge when it waits in the terminal and again when it waits at the rental car place. Thus the battery only needs enough charge to get to the next stop. This decrease in battery size means significant cost savings to electrify the vehicle. This technology enables efficient "opportunity charging stations" for predefined routes and planned stops reducing down time. Charging can occur in minutes. This improvement also eliminates the harmful emissions that occur in garages while buses are at idle during charging. In larger cities, dynamic charging offers an even greater impact utilizing existing infrastructure. As vehicles travel along busy freeways and interstate systems, wireless charging can occur while the vehicle is in motion. With this technology a vehicle essentially has unlimited electric range while using a relatively small battery pack. In-motion charging stations use vehicle sensors to alert the driver. Traveling at normal speeds, sensors establish in-motion charging. WPT transmit pads sequentially energize to the negotiated power level based on vehicle speed and its requested charging energy. Lower power when vehicle speed is slow and much higher power for faster moving vehicles. Vehicle to Infrastructure communications (V2I) coordinates WPT charging level according to on-board battery pack state-of-charge. V2I activates the roadway transmit pads placing them in standby mode and negotiates charging fee based on prevailing grid rate and vehicle energy demand. Dynamic charging would allow electricity to supply a very large fraction of the energy for the transportation sector and reduce greatly petroleum consump

  6. Wireless Power Transfer

    SciTech Connect (OSTI)

    None

    2013-07-22T23:59:59.000Z

    Wireless Power Transfer is an innovative approach using magnetic resonance coupling of air core transformers designed for today's growing plug-in electric vehicle market. This technology can provide a convenient, safe and flexible means to charge electric vehicles under stationary and dynamic conditions. Plug-in Electric Vehicles (PEV) are burdened by the need for cable and plug charger, galvanic isolation of the on-board electronics, bulk and cost of this charger and the large energy storage system (ESS) packs needed. With a system where you have to physically plug in there are a number of occasions where the owner could very well forget to charge the vehicle. For stationary applications (like charging of a PHEV at home), ORNL's innovative wireless power transfer technology adds a convenience factor compared to actually plugging in which will mean that the vehicle will have a full charge every morning. Electric vehicle charging must be safe, compact and efficient in order to be convenient for customers. By reconfiguring the transformer and altering the resonance frequency, energy is transferred to the battery with lower energy losses and with fewer demands on the primary circuit by the rest of the transformer system. The ORNL discovery shows that sufficient power for the battery can be transferred from the primary to secondary circuits without significant energy losses if the operating frequency is set at 50% to 95% of the resonance frequency of the circuit. The electrical power is then transmitted to the chargeable battery, which is electrically coupled to the secondary circuit through the air core transformer. Some advantages include: Reduced energy losses during transfer of energy to the battery; A charge potential that is relatively unaffected by up to 25% misalignment of vehicle; and Other receiving components draw less power from the primary circuit. These advantages allow wireless power technology applications to expand at the workplace and beyond as the demand for EV rises. For vehicles that operate over a fixed route such as busses and shuttle vehicles, Wireless Power Transfer (WPT) means that a smaller battery pack can be used. In the traditional system, the battery pack is designed to accommodate the needs of the entire route or shift. With WPT the battery can be downsized because it can be charged when the vehicle stops on its route (a rental car shuttle bus, for example, can charge when it waits in the terminal and again when it waits at the rental car place. Thus the battery only needs enough charge to get to the next stop. This decrease in battery size means significant cost savings to electrify the vehicle. This technology enables efficient "opportunity charging stations" for predefined routes and planned stops reducing down time. Charging can occur in minutes. This improvement also eliminates the harmful emissions that occur in garages while buses are at idle during charging. In larger cities, dynamic charging offers an even greater impact utilizing existing infrastructure. As vehicles travel along busy freeways and interstate systems, wireless charging can occur while the vehicle is in motion. With this technology a vehicle essentially has unlimited electric range while using a relatively small battery pack. In-motion charging stations use vehicle sensors to alert the driver. Traveling at normal speeds, sensors establish in-motion charging. WPT transmit pads sequentially energize to the negotiated power level based on vehicle speed and its requested charging energy. Lower power when vehicle speed is slow and much higher power for faster moving vehicles. Vehicle to Infrastructure communications (V2I) coordinates WPT charging level according to on-board battery pack state-of-charge. V2I activates the roadway transmit pads placing them in standby mode and negotiates charging fee based on prevailing grid rate and vehicle energy demand. Dynamic charging would allow electricity to supply a very large fraction of the energy for the transportation sector and reduce greatly petroleum consump

  7. Charge transport in micas: The kinetics of FeII/III electron...

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

    transport in micas: The kinetics of FeIIIII electron transfer in the octahedral sheet. Charge transport in micas: The kinetics of FeIIIII electron transfer in the octahedral...

  8. UBC Subject File Collection / UBC Archives (collector)

    E-Print Network [OSTI]

    Handy, Todd C.

    UBC Subject File Collection / UBC Archives (collector) Compiled by Max Steiner (2005) Revised Description o Title / Dates of Creation / Physical Description o Collector's Biographical Sketch o Scope Files Collection / UBC Archives (collector). 1915-2000. 10.8 m of textual materials. Collector

  9. Contributing Storage using the Transparent File System

    E-Print Network [OSTI]

    Berger, Emery

    Contributing Storage using the Transparent File System JAMES CIPAR and MARK D. CORNER and EMERY D barrier to the adoption of contributory storage systems is that contributing a large quantity of local--all of the currently available space-- without impacting the performance of ordinary file access operations. We show

  10. Common File Formats in Rosetta Steven Combs

    E-Print Network [OSTI]

    Meiler, Jens

    different ways Command Line Fixbb.release database -s 1thfD.pdb ex1 ex2 packing.942 19.190 1.00 8.50 P Ligand lines Atom # Atom name Residue name Chain ID Residue # Xcoord Ycoord Zcoord occupancy Bfactor Element name Atom lines #12;Silent Files Specify by in:file:silent and out

  11. TO: FILE FROM: I SUBJECT:

    Office of Legacy Management (LM)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOn AprilA group currentBradleyTableSelling7 AugustAFRICAN3uj: ;;I : T'ncZl' lO--23,TO: FILE

  12. EPA to Require Electronic Filing of EISs | Department of Energy

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

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

  13. WELCOME TO THE ELECTRONIC RESERVES COURSE READINGS

    E-Print Network [OSTI]

    Shrader-Frechette, Kristin

    WELCOME TO THE ELECTRONIC RESERVES COURSE READINGS NOTE: THIS MATERIAL MAY BE PROTECTED-489 File # 020702008_Shrader #12;Science versus educated guessing - risk assessment, nuclear waste is irrational and ignorant in fearing risks such as permanent disposal of radioactive waste. In recent

  14. An Analysis of Web File Sizes: New Methods and Models

    E-Print Network [OSTI]

    Wolfe, Patrick J.

    An Analysis of Web File Sizes: New Methods and Models A Thesis presented by Brent Tworetzky consider such models and how to improve their fits. This thesis contributes to file size research-improved file size estimations over type-blind models. We therefore present a range of useful new file size

  15. FILE USAGE RECOMMENDATIONS OCTOBER 31, 2013 | PAGE: 1 AVAILABLE LOGOS

    E-Print Network [OSTI]

    Aronov, Boris

    FILE USAGE RECOMMENDATIONS OCTOBER 31, 2013 | PAGE: 1 AVAILABLE LOGOS EPS JPG PNG LONG LOGO_long_white.png STACKED LOGO engineering_stacked_color.eps engineering_stacked_color.jpg engineering O R - Recommended File Type O - Optional File Type Which file to use Logo formats are available

  16. File

    U.S. Energy Information Administration (EIA) 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 onYou are now leaving Energy.gov You are now leaving Energy.gov YouKizildere IRaghurajiConventionalMississippi"site. If youEIA-906 & EIA-920,Condensate,Electric Power

  17. File

    U.S. Energy Information Administration (EIA) 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 onYou are now leaving Energy.gov You are now leaving Energy.gov YouKizildere IRaghurajiConventionalMississippi"site. If youEIA-906 & EIA-920,Condensate,Electric PowerElectric

  18. File

    U.S. Energy Information Administration (EIA) 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 onYou are now leaving Energy.gov You are now leaving Energy.gov YouKizildere IRaghurajiConventionalMississippi"site. If youEIA-906 & EIA-920,Condensate,Electric

  19. File

    U.S. Energy Information Administration (EIA) 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 onYou are now leaving Energy.gov You are now leaving Energy.gov YouKizildere IRaghurajiConventionalMississippi"site. If youEIA-906 &

  20. FILE

    Office of Legacy Management (LM)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOn AprilA group currentBradleyTableSelling CorpNew 1325.8.Enaineer;/:4,4 (;%hEROF'

  1. File

    U.S. Energy Information Administration (EIA) 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 onYou are now leaving Energy.gov You are now leaving Energy.gov YouKizildere IRaghuraji Agro IndustriesTownDells,1 U.S. DepartmentOregon826Industrial Plants Excluding

  2. File

    U.S. Energy Information Administration (EIA) 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 onYou are now leaving Energy.gov You are now leaving Energy.gov YouKizildere IRaghuraji Agro IndustriesTownDells,1 U.S. DepartmentOregon826Industrial Plants ExcludingCoke

  3. File

    U.S. Energy Information Administration (EIA) 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 onYou are now leaving Energy.gov You are now leaving Energy.gov YouKizildere IRaghuraji Agro IndustriesTownDells,1 U.S. DepartmentOregon826Industrial Plants

  4. File

    U.S. Energy Information Administration (EIA) 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 onYou are now leaving Energy.gov You are now leaving Energy.gov YouKizildere IRaghuraji Agro IndustriesTownDells,1 U.S. DepartmentOregon826Industrial

  5. File

    U.S. Energy Information Administration (EIA) 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 onYou are now leaving Energy.gov You are now leaving Energy.gov YouKizildere IRaghuraji Agro IndustriesTownDells,1 U.S.

  6. File

    U.S. Energy Information Administration (EIA) 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 onYou are now leaving Energy.gov You are now leaving Energy.gov YouKizildere IRaghuraji Agro IndustriesTownDells,1 U.S.3,"Alabama","Alabama","Electric Power

  7. File

    U.S. Energy Information Administration (EIA) 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 onYou are now leaving Energy.gov You are now leaving Energy.gov YouKizildere IRaghuraji Agro IndustriesTownDells,1 U.S.3,"Alabama","Alabama","Electric

  8. File

    U.S. Energy Information Administration (EIA) 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 onYou are now leaving Energy.gov You are now leaving Energy.gov YouKizildere IRaghuraji Agro IndustriesTownDells,1

  9. HEAT TRANSFER FLUIDS

    E-Print Network [OSTI]

    Lenert, Andrej

    2012-01-01T23:59:59.000Z

    The choice of heat transfer fluids has significant effects on the performance, cost, and reliability of solar thermal systems. In this chapter, we evaluate existing heat transfer fluids such as oils and molten salts based ...

  10. Transfer and characterization of silicon nanomembrane based photonic devices on flexible polyimide substrate

    E-Print Network [OSTI]

    Texas at Austin, University of

    Transfer and characterization of silicon nanomembrane based photonic devices on flexible polyimide nanomembrane based photonic devices on a Kapton polyimide flexible substrate. Compared with electronic devices

  11. Heat Transfer Guest Editorial

    E-Print Network [OSTI]

    Kandlikar, Satish

    Journal of Heat Transfer Guest Editorial We are indeed delighted in bringing out this special issue was showcased in diverse areas such as traditional heat and mass transfer, lab-on-chip, sensors, biomedical applica- tions, micromixers, fuel cells, and microdevices. Selected papers in the field of heat transfer

  12. File storage and I/O

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC) Environmental Assessments (EA)Budget »Travel andFifth Annual RadWasteFileFileFileO

  13. INTRAMOLECULAR CHARGE AND ENERGY TRANSFER IN MULTICHROMOPHORIC AROMATIC SYSTEMS

    SciTech Connect (OSTI)

    Edward C. Lim

    2008-09-09T23:59:59.000Z

    A concerted experimental and computational study of energy transfer in nucleic acid bases and charge transfer in dialkylaminobenzonitriles, and related electron donor-acceptor molecules, indicate that the ultrafast photoprocesses occur through three-state conical interactions involving an intermediate state of biradical character.

  14. SLOW DEGRADATION AND ELECTRON INJECTION IN SODIUM-B ALUMINAS

    E-Print Network [OSTI]

    De Jonghe, Lutgard C.

    2013-01-01T23:59:59.000Z

    transfer of 703 XBB 804 4126 Degradation of sulfur side ofsilver staining. The degradation layer becomes more uniformMaterials Science SLOW DEGRADATION AND ELECTRON INJECTION IN

  15. Collective operations in a file system based execution model

    DOE Patents [OSTI]

    Shinde, Pravin; Van Hensbergen, Eric

    2013-02-12T23:59:59.000Z

    A mechanism is provided for group communications using a MULTI-PIPE synthetic file system. A master application creates a multi-pipe synthetic file in the MULTI-PIPE synthetic file system, the master application indicating a multi-pipe operation to be performed. The master application then writes a header-control block of the multi-pipe synthetic file specifying at least one of a multi-pipe synthetic file system name, a message type, a message size, a specific destination, or a specification of the multi-pipe operation. Any other application participating in the group communications then opens the same multi-pipe synthetic file. A MULTI-PIPE file system module then implements the multi-pipe operation as identified by the master application. The master application and the other applications then either read or write operation messages to the multi-pipe synthetic file and the MULTI-PIPE synthetic file system module performs appropriate actions.

  16. Collective operations in a file system based execution model

    DOE Patents [OSTI]

    Shinde, Pravin; Van Hensbergen, Eric

    2013-02-19T23:59:59.000Z

    A mechanism is provided for group communications using a MULTI-PIPE synthetic file system. A master application creates a multi-pipe synthetic file in the MULTI-PIPE synthetic file system, the master application indicating a multi-pipe operation to be performed. The master application then writes a header-control block of the multi-pipe synthetic file specifying at least one of a multi-pipe synthetic file system name, a message type, a message size, a specific destination, or a specification of the multi-pipe operation. Any other application participating in the group communications then opens the same multi-pipe synthetic file. A MULTI-PIPE file system module then implements the multi-pipe operation as identified by the master application. The master application and the other applications then either read or write operation messages to the multi-pipe synthetic file and the MULTI-PIPE synthetic file system module performs appropriate actions.

  17. Introduction Container Library Container Tools FUSE Container File System Evaluation Container Library and FUSE Container File

    E-Print Network [OSTI]

    The library was completely overhauled It now provides consistently named functions and data types The commentsIntroduction Container Library Container Tools FUSE Container File System Evaluation Container Library and FUSE Container File System Softwarepraktikum fur Fortgeschrittene Michael Kuhn Parallele und

  18. Fuel transfer system

    DOE Patents [OSTI]

    Townsend, H.E.; Barbanti, G.

    1994-03-01T23:59:59.000Z

    A nuclear fuel bundle fuel transfer system includes a transfer pool containing water at a level above a reactor core. A fuel transfer machine therein includes a carriage disposed in the transfer pool and under the water for transporting fuel bundles. The carriage is selectively movable through the water in the transfer pool and individual fuel bundles are carried vertically in the carriage. In a preferred embodiment, a first movable bridge is disposed over an upper pool containing the reactor core, and a second movable bridge is disposed over a fuel storage pool, with the transfer pool being disposed therebetween. A fuel bundle may be moved by the first bridge from the reactor core and loaded into the carriage which transports the fuel bundle to the second bridge which picks up the fuel bundle and carries it to the fuel storage pool. 6 figures.

  19. NFS File Handle Security Avishay Traeger, Abhishek Rai, Charles P. Wright, and Erez Zadok

    E-Print Network [OSTI]

    Zadok, Erez

    a file han- dle. When an NFS client performs an operation, it passes the file handle to the server, which decodes the file han- dle to determine what object the file handle refers to. Since NFS is a stateless

  20. Electron radiography

    DOE Patents [OSTI]

    Merrill, Frank E.; Morris, Christopher

    2005-05-17T23:59:59.000Z

    A system capable of performing radiography using a beam of electrons. Diffuser means receive a beam of electrons and diffuse the electrons before they enter first matching quadrupoles where the diffused electrons are focused prior to the diffused electrons entering an object. First imaging quadrupoles receive the focused diffused electrons after the focused diffused electrons have been scattered by the object for focusing the scattered electrons. Collimator means receive the scattered electrons and remove scattered electrons that have scattered to large angles. Second imaging quadrupoles receive the collimated scattered electrons and refocus the collimated scattered electrons and map the focused collimated scattered electrons to transverse locations on an image plane representative of the electrons' positions in the object.

  1. HIGEE Mass Transfer

    E-Print Network [OSTI]

    Mohr, R. J.; Fowler, R.

    HIGEE MASS TRANSFER R.J. Mohr and R. Fowler GLITSCH, INC. Dallas, Texas ABSTRACT Distillation, absorption, and gas stripping have traditionally been performed in tall columns utilizing trays or packing. Columns perform satisfactorily... transfer system which utilizes a rotating bed of packing to achieve high efficiency separations, and consequent reduction in size and weight. INTRODUCTION HIGEE is probably one of the most interesting developments in mass transfer equipment made...

  2. MATERIALS TRANSFER AGREEMENT

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

    MTAXX-XXX 1 MATERIAL TRANSFER AGREEMENT for Manufacturing Demonstration Facility and Carbon Fiber Technology Facility In order for the RECIPIENT to obtain materials, the RECIPIENT...

  3. Technology Transfer Reports

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

    Advanced Research Projects Agency-Energy (ARPA-E) Oil & Gas Technology Transfer Initiatives USEFUL LINKS Association of University Technology Managers (AUTM) Federal Laboratory...

  4. Bus transfer analysis

    SciTech Connect (OSTI)

    Weronick, R.; Hassan, I.D. [Raytheon Engineers and Constructors, Lyndhurst, NJ (United States)

    1996-11-01T23:59:59.000Z

    This paper discusses bus transfer schemes and the methodology used in modeling and analysis. Due to the unavailability of generic acceptance criteria, simulations were performed to analyze the actual fast bus transfer operations at four operating nuclear power generating stations. Sample simulation results illustrating the transient variations in motors currents and torques are included. The analyses were performed to ensure that motors and other rotating parts are not subjected to excessive or accumulated stresses caused by bus transfer operations. A summary of the experience gained in the process of performing this work and suggested bus transfer acceptance criteria are also presented.

  5. Facility Survey & Transfer

    Broader source: Energy.gov [DOE]

    As DOE facilities become excess, many that are radioactively and/or chemically contaminated will become candidate for transfer to DOE-EM for deactivation and decommissioning.

  6. Synthesis and Characterization of Four Consecutive Members of the Five-Member [Fe6S8(PEt3)6]n+ (n ) 0-4) Cluster Electron Transfer Series

    E-Print Network [OSTI]

    2)6]2+ and H2S, to contain face-capped octahedral Fe6S8 cores, and to be components of the five,17 Chemically reversible addition or removal of electrons from clusters can result in measurable changes in core

  7. Proton transfer from the bulk to the bound ubiquinone QB of the reaction center in

    E-Print Network [OSTI]

    Steinhoff, Heinz-Jrgen

    Proton transfer from the bulk to the bound ubiquinone QB of the reaction center in chromatophores, 1999) The mechanism of proton transfer from the bulk into the mem- brane protein interior was studied is accompanied by proton trapping. We used kinetic spec- troscopy to measure (i) the electron transfer to QB (at

  8. Electron Irradiation Induced Changes of the Electrical Transport Properties of Graphene

    E-Print Network [OSTI]

    Woo, Sung Oh

    2014-08-06T23:59:59.000Z

    This research investigates the effect of electron irradiation on transport properties in graphene Field Effect Transistor (FET) devices. Upon irradiation, graphene is doped with electrons and adsorbs molecules by transfer of accumulated electrons...

  9. Electron Irradiation Induced Changes of the Electrical Transport Properties of Graphene

    E-Print Network [OSTI]

    Woo, Sung Oh

    2014-08-06T23:59:59.000Z

    This research investigates the effect of electron irradiation on transport properties in graphene Field Effect Transistor (FET) devices. Upon irradiation, graphene is doped with electrons and adsorbs molecules by transfer of accumulated electrons...

  10. 1 Copyright 2012 by ASME Proceedings of the ASME 2012 Summer Heat Transfer Conference

    E-Print Network [OSTI]

    Bahrami, Majid

    1 Copyright 2012 by ASME Proceedings of the ASME 2012 Summer Heat Transfer Conference HT2012 July. INTRODUCTION Passive cooling is a widely preferred method for electronic and power electronic devices since, #12;2 Copyright 2012 by ASME is convective heat transfer coefficient and is thermal conductivity

  11. How-to: Use EMSL's Aurora File System | EMSL

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

    How-to: Use EMSL's Aurora File System How-to: Use EMSL's Aurora File System Synopsis The Aurora archive system is used for long-term storage of data collected by EMSL instuments,...

  12. "Annual Electric Power Industry Report (EIA-861 data file)

    Gasoline and Diesel Fuel Update (EIA)

    FILES Electric power sales, revenue, and energy efficiency Form EIA-861 detailed data files Release Date for 2013: February 19, 2015 Next Release date: October 2015 Annual data for...

  13. Data Files Monthly Natural Gas Gross Production Report

    Gasoline and Diesel Fuel Update (EIA)

    Data Files Data Files 1 EIA Best Estimate of Gross Withdrawals: Combination of historical production data from the Natural Gas Annual and current estimates based on data from the...

  14. Reprint of: Regulation of photosynthetic electron transport , Jean-David Rochaix

    E-Print Network [OSTI]

    Halazonetis, Thanos

    , the two light reactions operate in series whereby electrons extracted from water by PSII are transferred Keywords: Electron transport Linear electron ow Cyclic electron ow Photosystem II Photosystem I Light-harvesting with the oxidation of water followed by electron ow along the electron transport chain and concomitant pumping

  15. Duplicate File Names-A Novel Steganographic Data Hiding Technique

    E-Print Network [OSTI]

    Wu, Jie

    or a terrorist plot. None-the-less, these files can also be potentially dangerous viruses, malware, child porn

  16. POSITION DESCRIPTION 2012 TRANSFER MENTOR

    E-Print Network [OSTI]

    POSITION DESCRIPTION 2012 TRANSFER MENTOR TRANSFER MENTOR AS A STAFF MEMBER Thank you for your interest in the Transfer Mentor position with Orientation and Transition Programs' (OTP) Transfer Mentoring Program. The Transfer Mentor (TM) is a member of the Orientation and Transition Programs' staff

  17. Patent subsidy and patent filing in China By Zhen Lei

    E-Print Network [OSTI]

    Sekhon, Jasjeet S.

    Patent subsidy and patent filing in China By Zhen Lei , Zhen Sun, and Brian Wright Department of patent subsidy policies on patent filings in Chi- na. China had rapid growth in patenting in recent years and became the number one in patent filings in 2011. We study five neighboring cities in Jiangsu province

  18. File Popularity Characterisation. Chris Roadknight, Ian Marshall and Deborah Vearer

    E-Print Network [OSTI]

    Marshall, Ian W.

    , BAE 97]. Caches can bring files nearer the client (with a possible reduction in latency), reduce load curve, which plots the number of requests for each file against the file's popularity ranking. It is often said that this popularity curve follows Zipf's law, Popularity = K* ranking-a , with a being close

  19. The Future of the Andrew File System

    ScienceCinema (OSTI)

    None

    2011-04-25T23:59:59.000Z

    The talk will discuss the ten operational capabilities that have made AFS unique in the distributed file system space and how these capabilities are being expanded upon to meet the needs of the 21st century. Derrick Brashear and Jeffrey Altman will present a technical road map of new features and technical innovations that are under development by the OpenAFS community and Your File System, Inc. funded by a U.S. Department of Energy Small Business Innovative Research grant. The talk will end with a comparison of AFS to its modern days competitors.

  20. Janus: Automatic Ontology Builder from XSD Files

    E-Print Network [OSTI]

    Bedini, Ivan; Gardarin, Georges

    2010-01-01T23:59:59.000Z

    The construction of a reference ontology for a large domain still remains an hard human task. The process is sometimes assisted by software tools that facilitate the information extraction from a textual corpus. Despite of the great use of XML Schema files on the internet and especially in the B2B domain, tools that offer a complete semantic analysis of XML schemas are really rare. In this paper we introduce Janus, a tool for automatically building a reference knowledge base starting from XML Schema files. Janus also provides different useful views to simplify B2B application integration.

  1. Advanced Heat Transfer Technologies Increase Vehicle Performance and Reliability; The Spectrum of Clean Energy Innovation (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2010-06-01T23:59:59.000Z

    Fact sheet describes NREL's work with heat transfer technologies to keep hybrid electric and all-electric vehicle power electronic components cool.

  2. Technology transfer 1994

    SciTech Connect (OSTI)

    Not Available

    1994-01-01T23:59:59.000Z

    This document, Technology Transfer 94, is intended to communicate that there are many opportunities available to US industry and academic institutions to work with DOE and its laboratories and facilities in the vital activity of improving technology transfer to meet national needs. It has seven major sections: Introduction, Technology Transfer Activities, Access to Laboratories and Facilities, Laboratories and Facilities, DOE Office, Technologies, and an Index. Technology Transfer Activities highlights DOE`s recent developments in technology transfer and describes plans for the future. Access to Laboratories and Facilities describes the many avenues for cooperative interaction between DOE laboratories or facilities and industry, academia, and other government agencies. Laboratories and Facilities profiles the DOE laboratories and facilities involved in technology transfer and presents information on their missions, programs, expertise, facilities, and equipment, along with data on whom to contact for additional information on technology transfer. DOE Offices summarizes the major research and development programs within DOE. It also contains information on how to access DOE scientific and technical information. Technologies provides descriptions of some of the new technologies developed at DOE laboratories and facilities.

  3. Friction Stir Welding Download the files fswss.txt and fswdyn.txt from the course website. These files contain

    E-Print Network [OSTI]

    Landers, Robert G.

    Friction Stir Welding QUESTION 1 Download the files fswss.txt and fswdyn.txt from the course website. These files contain experimental data from a friction stir welding process of 6061 aluminum 0 2 1 0 F z b z b d z z a z a + = + + (3) #12;Friction Stir Welding QUESTION 2 Download the files

  4. Summary of EPIC-2001 Rain Map Files EPIC Rainmap files were generated using all surveillance scans (3 tilt, full PPI)

    E-Print Network [OSTI]

    Rutledge, Steven

    information about the rain map cartesian grid and data values of radar reflectivity (dBZ) and rain rate (mm hrSummary of EPIC-2001 Rain Map Files EPIC Rainmap files were generated using all surveillance scans of the surveillance radar scan in UTC. The gif file (1) shows a 1-km height map (CAPPI) of rainfall intensity (mm hr-1

  5. HEAT AND MOISTURE TRANSFER THROUGH CLOTHING

    E-Print Network [OSTI]

    Voelker, Conrad; Hoffmann, Sabine; Kornadt, Oliver; Arens, Edward; Zhang, Hui; Huizenga, Charlie

    2009-01-01T23:59:59.000Z

    R. C. Eberhart (ed), Heat transfer in medicine and biology.between convective heat transfer and mass transferConvective and radiative heat transfer coefficients for

  6. Heat and moisture transfer through clothing

    E-Print Network [OSTI]

    Voelker, Conrad; Hoffmann, Sabine; Kornadt, Oliver; Arens, Edward; Zhang, Hui; Huizenga, Charlie

    2009-01-01T23:59:59.000Z

    R. C. Eberhart (ed), Heat transfer in medicine and biology.Convective and radiative heat transfer coefficients forbetween convective heat transfer and mass transfer

  7. Ames Lab 101: Technology Transfer

    ScienceCinema (OSTI)

    Covey, Debra

    2012-08-29T23:59:59.000Z

    Ames Laboratory Associate Laboratory Director, Sponsored Research Administration, Debra Covey discusses technology transfer. Covey also discusses Ames Laboratory's most successful transfer, lead-free solder.

  8. Transfer reactions at ATLAS

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

    64 Ni+ 64 Ni Strong entrance-channel dependence of fusion enhancement Beckerman et al., PRL 45, 1472 (1980), PRC 25, 837 (1982) Coupling of transfer channels, in addition to...

  9. Seer: An analysis package for LHCO files

    E-Print Network [OSTI]

    Martin, Travis A W

    2015-01-01T23:59:59.000Z

    Seer is a multipurpose package for performing trigger, signal determination and cuts of an arbitrary number of collider processes stored in the LHCO file format. This article details the use of Seer, including the necessary details for users to customize the code for investigating new kinematic variables.

  10. Consanguine Calculations Input File: blood.in

    E-Print Network [OSTI]

    California at Berkeley, University of

    1 of 20 Problem A+ Consanguine Calculations Input File: blood.in Every person's blood has 2 markers in a particular ABO blood type for that person. Combination ABO Blood Type AA A AB AB AO A BB B BO B OO O Likewise, every person has two alleles for the blood Rh factor, represented by the characters + and -. Someone who

  11. Historical_Habitats File Geodatabase Feature Class

    E-Print Network [OSTI]

    Historical_Habitats File Geodatabase Feature Class Tags Historical ecology, Ventura, Oxnard View, Meiners Oaks, Camarillo, Somis, Ventura River, Santa Clara River, Calleguas Creek, Santa Paula Springs, Ormond Beach, Mandalay Beach, Pierpont Bay, McGrath Lake, Ventura County, Los Angeles County

  12. DEEP SEA DRILLING PROJECT DATA FILE DOCUMENTS

    E-Print Network [OSTI]

    for the program is provided by the following agencies: Department of Energy, Mines and Resources (Canada) Deutsche&M University, as an account of work performed under the international Ocean Drilling Program which is managedDEEP SEA DRILLING PROJECT DATA FILE DOCUMENTS Ocean Drilling Program Texas A&M University Technical

  13. Design and Implementation of a Metadata-rich File System

    SciTech Connect (OSTI)

    Ames, S; Gokhale, M B; Maltzahn, C

    2010-01-19T23:59:59.000Z

    Despite continual improvements in the performance and reliability of large scale file systems, the management of user-defined file system metadata has changed little in the past decade. The mismatch between the size and complexity of large scale data stores and their ability to organize and query their metadata has led to a de facto standard in which raw data is stored in traditional file systems, while related, application-specific metadata is stored in relational databases. This separation of data and semantic metadata requires considerable effort to maintain consistency and can result in complex, slow, and inflexible system operation. To address these problems, we have developed the Quasar File System (QFS), a metadata-rich file system in which files, user-defined attributes, and file relationships are all first class objects. In contrast to hierarchical file systems and relational databases, QFS defines a graph data model composed of files and their relationships. QFS incorporates Quasar, an XPATH-extended query language for searching the file system. Results from our QFS prototype show the effectiveness of this approach. Compared to the de facto standard, the QFS prototype shows superior ingest performance and comparable query performance on user metadata-intensive operations and superior performance on normal file metadata operations.

  14. Pattern transfer printing by kinetic control of adhesion to an elastomeric stamp

    DOE Patents [OSTI]

    Nuzzo, Ralph G. (Champaign, IL); Rogers, John A. (Champaign, IL); Menard, Etienne (Urbana, IL); Lee, Keon Jae (Tokyo, JP); Khang, Dahl-Young (Urbana, IL); Sun, Yugang (Champaign, IL); Meitl, Matthew (Champaign, IL); Zhu, Zhengtao (Urbana, IL)

    2011-05-17T23:59:59.000Z

    The present invention provides methods, systems and system components for transferring, assembling and integrating features and arrays of features having selected nanosized and/or microsized physical dimensions, shapes and spatial orientations. Methods of the present invention utilize principles of `soft adhesion` to guide the transfer, assembly and/or integration of features, such as printable semiconductor elements or other components of electronic devices. Methods of the present invention are useful for transferring features from a donor substrate to the transfer surface of an elastomeric transfer device and, optionally, from the transfer surface of an elastomeric transfer device to the receiving surface of a receiving substrate. The present methods and systems provide highly efficient, registered transfer of features and arrays of features, such as printable semiconductor element, in a concerted manner that maintains the relative spatial orientations of transferred features.

  15. Investigation of electrons interaction in a superconductor

    E-Print Network [OSTI]

    Iogann Tolbatov

    2009-10-21T23:59:59.000Z

    Investigating the interaction of electrons in a superconductor by means of a method of solitary waves of Korteweg - de Vries, we refute the claim of absence of "Cooper pairs" in a superconductor. We also indicate that the nondissipative transfer of energy in the superconductor is possible only with the help of a pair of electrons.

  16. Resources, framing, and transfer p. 1 Resources, framing, and transfer

    E-Print Network [OSTI]

    Hammer, David

    Resources, framing, and transfer p. 1 Resources, framing, and transfer David Hammer Departments. #12;Resources, framing, and transfer p. 2 Resources, framing, and transfer David Hammer, Andrew Elby of activating resources, a language with an explicitly manifold view of cognitive structure. In this chapter, we

  17. Rate constants for charge transfer across semiconductor-liquid interfaces

    SciTech Connect (OSTI)

    Fajardo, A.M.; Lewis, N.S. [California Institute of Technology, Pasadena, CA (United States)

    1996-11-08T23:59:59.000Z

    Interfacial charge-transfer rate constants have been measured for n-type Si electrodes in contact with a series of viologen-based redox couples in methanol through analyses of the behavior of these junctions with respect to their current density versus potential and differential capacitance versus potential properties. The data allow evaluation of the maximum rate constant (and therefore the electronic coupling) for majority carriers in the solid as well as of the dependence of the rate constant on the driving force for transfer of delocalized electrons from the n-Si semiconducting electrode into the localized molecular redox species in the solution phase. The data are in good agreement with existing models of this interfacial electron transfer process and provide insight into the fundamental kinetic events underlying the use of semiconducting photoelectrodes in applications such as solar energy conversion. 23 refs., 3 figs.

  18. 2008 Electron Donor Acceptor Interactions Gordon Research Conference-August 3-8, 2009

    SciTech Connect (OSTI)

    Malcolm Forbes and Nancy Ryan Gray

    2009-09-19T23:59:59.000Z

    The conference presents and advances the current frontiers in experimental and theoretical studies of Electron Transfer and Transport in Molecular and Nano-scale Systems. The program includes sessions on coupled electron transfers, molecular solar energy conversion, biological and biomimetic systems, spin effects, ultrafast reactions and technical frontiers as well as electron transport in single molecules and devices.

  19. 2012 ELECTRON DONOR-ACCEPTOR INTERACTIONS GORDON RESEARCH CONFERENCE, AUGUST 5-10, 2012

    SciTech Connect (OSTI)

    McCusker, James

    2012-08-10T23:59:59.000Z

    The upcoming incarnation of the Gordon Research Conference on Electron Donor Acceptor Interactions will feature sessions on classic topics including proton-coupled electron transfer, dye-sensitized solar cells, and biological electron transfer, as well as emerging areas such as quantum coherence effects in donor-acceptor interactions, spintronics, and the application of donor-acceptor interactions in chemical synthesis.

  20. Ponderomotive phase plate for transmission electron microscopes

    DOE Patents [OSTI]

    Reed, Bryan W. (Livermore, CA)

    2012-07-10T23:59:59.000Z

    A ponderomotive phase plate system and method for controllably producing highly tunable phase contrast transfer functions in a transmission electron microscope (TEM) for high resolution and biological phase contrast imaging. The system and method includes a laser source and a beam transport system to produce a focused laser crossover as a phase plate, so that a ponderomotive potential of the focused laser crossover produces a scattering-angle-dependent phase shift in the electrons of the post-sample electron beam corresponding to a desired phase contrast transfer function.

  1. Electron Heating in Quasi-Perpendicular Shocks

    E-Print Network [OSTI]

    Mozer, F S

    2013-01-01T23:59:59.000Z

    Seventy crossings of the Earths bow shock by the THEMIS satellites have been used to study thermal electron heating in collisionless, quasi-perpendicular shocks. It was found that the temperature increase of thermal electrons differed from the magnetic field increase by factors as great as three, that the parallel electron temperature increase was not produced by parallel electric fields, and that the parallel and perpendicular electron temperature increases were the same on the average. It was also found that the perpendicular and parallel electron heating occurred simultaneously so that the isotropization time is the same as the heating time. These results cannot be explained by energy transfer from waves to electrons or by the motion of magnetized electrons through the shock. Electric field fluctuations on the scale of the electron gyro-diameter were found to be of finite amplitude in the shock ramp, which requires that the electron trajectories be more random and chaotic than orderly and adiabatic. The da...

  2. AMS-TeX Source file

    E-Print Network [OSTI]

    We measure success in the following descending order: 1. ..... Massachusetts 1981 B-G Becker,James C. and Gottlieb, Daniel H. Vector fields and transfers 72

  3. Quick Start The various sample data files after expansion (use Zip)

    E-Print Network [OSTI]

    library (49 signature files and 1 library list file, all in ASCII, 300 KB). Duncan Knob.sdf Lidar full wave form SDF file (60 MB). Duncan Knob.idx Required index file for Duncan Knob.sdf (4.5 MB). sbet_mission 1.out Smoothed Best Estimate of Trajectory file. Needed for Duncan Knob.sdf (98 MB). Immediate

  4. March 24, 2008 ADBS: Storage 1 Disk Storage, Basic File Structures, and

    E-Print Network [OSTI]

    Adam, Salah

    March 24, 2008 ADBS: Storage 1 Disk Storage, Basic File Structures, and Hashing. #12;March 24, 2008 ADBS: Storage 2 Chapter Outline The Storage Hierarchy How Far is Your Data Disk Storage Devices Records Blocking Files of Records Unordered Files Ordered Files Hashed Files RAID Technology Storage Area Network

  5. Applied heat transfer

    SciTech Connect (OSTI)

    Ganapathy, V.

    1982-01-01T23:59:59.000Z

    Heat transfer principles are discussed with emphasis on the practical aspects of the problems. Correlations for heat transfer and pressure drop from several worldwide sources for flow inside and outside of tubes, including finned tubes are presented, along with design and performance calculations of heat exchangers economizers, air heaters, condensers, waste-heat boilers, fired heaters, superheaters, and boiler furnaces. Vibration analysis for tube bundles and heat exchangers are also discussed, as are estimating gas-mixture properties at atmospheric and elevated pressures and life-cycle costing techniques. (JMT)

  6. INSPIRE and SPIRES Log File Analysis

    SciTech Connect (OSTI)

    Adams, Cole; /Wheaton Coll. /SLAC

    2012-08-31T23:59:59.000Z

    SPIRES, an aging high-energy physics publication data base, is in the process of being replaced by INSPIRE. In order to ease the transition from SPIRES to INSPIRE it is important to understand user behavior and the drivers for adoption. The goal of this project was to address some questions in regards to the presumed two-thirds of the users still using SPIRES. These questions are answered through analysis of the log files from both websites. A series of scripts were developed to collect and interpret the data contained in the log files. The common search patterns and usage comparisons are made between INSPIRE and SPIRES, and a method for detecting user frustration is presented. The analysis reveals a more even split than originally thought as well as the expected trend of user transition to INSPIRE.

  7. Working Data File Sets from the Comprehensive Epidemiologic Data Resource (CEDR)

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    The more-than-100 working data file sets available from CEDR mainly include the data collected and updated by the three epidemiologic research centers. A researcher selects or generates variables from these more dynamic data files in order to form analytic data files. CEDR is a DOE electronic database comprised of health studies of DOE contract workers and environmental studies of areas surrounding DOE facilities. CEDR provides independent researchers and the public with access to de-identified data collected since the Department's early production years. Current holdings include studies of over 1 million workers at 31 DOE sites. Most of CEDR's holdings are derived from epidemiologic studies of DOE workers at many large nuclear weapons plants, such as Hanford, Los Alamos, the Oak Ridge reservation, Savannah River Site, and Rocky Flats. These studies primarily use death certificate information to identify excess deaths and patterns of disease among workers to determine what factors contribute to the risk of developing cancer and other illnesses. In addition, many of these studies have radiation exposure measurements on individual workers.

  8. Electron localization in liquid acetonitrile.

    SciTech Connect (OSTI)

    Shkrob, I. A.; Sauer, M. C.; Chemistry

    2002-10-03T23:59:59.000Z

    Time-resolved one- and two-pulse laser dc photoconductivity has been used to observe two kinds of reducing species, anion-1 and anion-2, in liquid acetonitrile. At 25 C, the standard enthalpy of conversion from anion-1 to anion-2 is -44.3 {+-} 3.6 kJ/mol and the conversion time is 3 ns. The high-temperature form, anion-1, absorbs in the IR and migrates >3.3 times faster than any other ion in acetonitrile. This rapid migration has a low activation energy of 3.2 kJ/mol (vs 7.6 kJ/mol for other ions). Anion-1 rapidly transfers the electron to acceptors with high electron affinity, with rate constant up to 10{sup 11} M{sup -1} s{sup -1}. The low-temperature form, anion-2, absorbs in the visible and exhibits normal mobility and electron-transfer rates, ca. 1.5 x 10{sup 10} M{sup -1} s{sup -1}. It reacts, by proton transfer, with two hydrogen-bonded molecules of water and/or aliphatic alcohols. Laser photoexcitation of these two solvent anions in their respective absorption bands leads to the formation of CH{sub 3} and CN{sup -}. We present arguments indicating that anion-2 is a dimer radical anion of acetonitrile, whereas anion-1 is a multimer radical anion that may be regarded as a 'solvated electron'.

  9. File:03ORENoncompetitiveGeothermalLease.pdf | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealandORCEncroachment.pdf Jump to: navigation, search File File history File

  10. Electronic structure and transition energies in polymer-fullerene bulk heterojunctions

    E-Print Network [OSTI]

    2014-01-01T23:59:59.000Z

    Electronic Structure and Transition Energies in Polymer?the HOMO and LUMO energy levels and transition energies haveand charge-transfer transition energies. The interface band

  11. Three Dimensional Radiative Transfer

    E-Print Network [OSTI]

    Tom Abel

    2000-05-09T23:59:59.000Z

    Radiative Transfer (RT) effects play a crucial role in the thermal history of the intergalactic medium. Here I discuss recent advances in the development of numerical methods that introduce RT to cosmological hydrodynamics. These methods can also readily be applied to time dependent problems on interstellar and galactic scales.

  12. Charge Transfer Properties Through Graphene Layers in Gas Detectors

    E-Print Network [OSTI]

    P. Thuiner; R. Hall-Wilton; R. B. Jackman; H. Mller; T. T. Nguyen; E. Oliveri; D. Pfeiffer; F. Resnati; L. Ropelewski; J. A. Smith; M. van Stenis; R. Veenhof

    2015-03-23T23:59:59.000Z

    Graphene is a single layer of carbon atoms arranged in a honeycomb lattice with remarkable mechanical, electrical and optical properties. For the first time graphene layers suspended on copper meshes were installed into a gas detector equipped with a gaseous electron multiplier. Measurements of low energy electron and ion transfer through graphene were conducted. In this paper we describe the sample preparation for suspended graphene layers, the testing procedures and we discuss the preliminary results followed by a prospect of further applications.

  13. Charge Transfer Properties Through Graphene Layers in Gas Detectors

    E-Print Network [OSTI]

    Thuiner, P; Jackman, R B; Mller, H; Nguyen, T T; Oliveri, E; Pfeiffer, D; Resnati, F; Ropelewski, L; Smith, J A; van Stenis, M; Veenhof, R

    2015-01-01T23:59:59.000Z

    Graphene is a single layer of carbon atoms arranged in a honeycomb lattice with remarkable mechanical, electrical and optical properties. For the first time graphene layers suspended on copper meshes were installed into a gas detector equipped with a gaseous electron multiplier. Measurements of low energy electron and ion transfer through graphene were conducted. In this paper we describe the sample preparation for suspended graphene layers, the testing procedures and we discuss the preliminary results followed by a prospect of further applications.

  14. CARTOGRAPHIC BASE FILES AT LAWRENCE BERKELEY LABORATORY: 1978. INVENTORY

    E-Print Network [OSTI]

    Burkhart, B.R.

    2011-01-01T23:59:59.000Z

    BERKELEY LABORATORY: 1978 INVENTORY f(ECEfVED tAWRENCE!FILES AT LAWRENCE BERKELEY LABORATORY: 1978 INVENTORY B. R.1979 ABSTRACT This inventory describes the cartographic base

  15. Scalable Parallel File System for Data and Metadata-intensive...

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

    Host: Rob Ross A critical purpose for parallel file systems used in high performance computing is to capture quickly and durably hold checkpoints of long running massive...

  16. File:03ORCEncroachment.pdf | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealandORCEncroachment.pdf Jump to: navigation, search File File history File usage File:03ORCEncroachment.pdf

  17. Urban Sewage Delivery Heat Transfer System (2): Heat Transfer

    E-Print Network [OSTI]

    Zhang, C.; Wu, R.; Li, X.; Li, G.; Zhuang, Z.; Sun, D.

    2006-01-01T23:59:59.000Z

    The thimble delivery heat-transfer (TDHT) system is one of the primary modes to utilize the energy of urban sewage. Using the efficiency-number of transfer units method ( ), the heat-transfer efficiencies of the parallel-flow and reverse-flow TDTH...

  18. Urban Sewage Delivery Heat Transfer System (2): Heat Transfer

    E-Print Network [OSTI]

    Zhang, C.; Wu, R.; Li, X.; Li, G.; Zhuang, Z.; Sun, D.

    2006-01-01T23:59:59.000Z

    The thimble delivery heat-transfer (TDHT) system is one of the primary modes to utilize the energy of urban sewage. Using the efficiency-number of transfer units method ( ), the heat-transfer efficiencies of the parallel-flow and reverse-flow TDTH...

  19. Geothermal Electricity Technology Evaluation Model (GETEM) Individual Case Files and Summary Spreadsheet (GETEM version Spring 2013)

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Hanson, Steven CJ

    This group of files-- 10 GETEM individual case files and 1 summary spreadsheet-- contain final data from the revisions between summer 2011 and spring 2013.

  20. Geothermal Electricity Technology Evaluation Model (GETEM) Individual Case Files and Summary Spreadsheet (GETEM version Spring 2013)

    SciTech Connect (OSTI)

    Hanson, Steven CJ

    2013-03-07T23:59:59.000Z

    This group of files-- 10 GETEM individual case files and 1 summary spreadsheet-- contain final data from the revisions between summer 2011 and spring 2013.

  1. Generation of anomalously energetic suprathermal electrons by an electron beam interacting with a nonuniform plasma

    E-Print Network [OSTI]

    Sydorenko, D; Chen, L; Ventzek, P L G

    2015-01-01T23:59:59.000Z

    Generation of anomalously energetic suprathermal electrons was observed in simulation of a high- voltage dc discharge with electron emission from the cathode. An electron beam produced by the emission interacts with the nonuniform plasma in the discharge via a two-stream instability. Efficient energy transfer from the beam to the plasma electrons is ensured by the plasma nonuniformity. The electron beam excites plasma waves whose wavelength and phase speed gradually decrease towards anode. The short waves near the anode accelerate plasma bulk electrons to suprathermal energies. The sheath near the anode reflects some of the accelerated electrons back into the plasma. These electrons travel through the plasma, reflect near the cathode, and enter the accelerating area again but with a higher energy than before. Such particles are accelerated to energies much higher than after the first acceleration. This mechanism plays a role in explaining earlier experimental observations of energetic suprathermal electrons i...

  2. Faculty Positions Heat Transfer and

    E-Print Network [OSTI]

    Faculty Positions Heat Transfer and Thermal/Energy Sciences Naval Postgraduate School Monterey-track faculty position at the assistant professor level in the areas of Heat Transfer and Thermal/Fluid Sciences

  3. Effects of PMMA-transfer residues on the growth of organic semiconductor molecules on CVD graphene

    E-Print Network [OSTI]

    Kratzer, Markus; Bayer, Bernhard C.; Kidambi, Piran R.; Matkovi?, Aleksandar; Gaji?, Rado; Cabrero-Vilatela, Andrea; Weatherup, Robert S.; Hofmann, Stephan; Teichert, Christian

    2015-03-09T23:59:59.000Z

    Scalably grown and transferred graphene is a highly promising material for organic electronic applications, but controlled interfacing of graphene thereby remains a key challenge. Here, we study the growth characteristics of the important organic...

  4. QER- Comment of Energy Transfer

    Broader source: Energy.gov [DOE]

    From: Lee Hanse Executive Vice President Interstate Energy Transfer Mobile - 210 464 2929 Office - 210 403 6455

  5. Plastic container bagless transfer

    DOE Patents [OSTI]

    Tibrea, Steven L.; D'Amelio, Joseph A.; Daugherty, Brent A.

    2003-11-18T23:59:59.000Z

    A process and apparatus are provided for transferring material from an isolated environment into a storage carrier through a conduit that can be sealed with a plug. The plug and conduit can then be severed to provide a hermetically sealed storage carrier containing the material which may be transported for storage or disposal and to maintain a seal between the isolated environment and the ambient environment.

  6. Mass transfer andMass transfer and Mass transfer andMass transfer and

    E-Print Network [OSTI]

    Zevenhoven, Ron

    't be determined A correlation for Sherwood number (Sh) based on di i l l i b d l i Sh diff idimensional analysis for mass transfer with convection: I l f d fl d b (l b l ) Internal forced flow: inside a tube (laminar A in fluid medium B in a flow with characteristic velocity and size characteristic d: kA = f(d, w, (= fluid

  7. Graphene Transistors Fabricated via Transfer-Printing In Device Active-Areas

    E-Print Network [OSTI]

    Graphene Transistors Fabricated via Transfer-Printing In Device Active-Areas on Large Wafer Xiaogan graphene islands from a graphite and then uses transfer printing to place the islands from the stamp from the printed graphene. The transistors show a hole and electron mobility of 3735 and 795 cm2/V

  8. CHANDRA OBSERVATIONS OF THE ``DARK'' MOON AND GEOCORONAL SOLAR WIND CHARGE TRANSFER

    E-Print Network [OSTI]

    Wargelin, Bradford J.

    CHANDRA OBSERVATIONS OF THE ``DARK'' MOON AND GEOCORONAL SOLAR WIND CHARGE TRANSFER B. J. Wargelin, which were tentatively ascribed to continuum emission from energetic solar wind electrons impacting with contemporaneous measurements of solar wind parameters, strongly favor charge transfer between highly charged solar

  9. Comparison of the One-electron Oxidations of CO-Bridged vs Unbridged Bimetallic Complexes: Electron-transfer Chemistry of Os2Cp2(CO)4 and Os2Cp*2(?-CO)2(CO)2 (Cp = ?5-C5H5, Cp* = ?5-C5Me5)

    SciTech Connect (OSTI)

    Laws, Derek R.; Bullock, R. Morris; Lee, Richmond; Huang, Kuo-Wei; Geiger, William J.

    2014-09-22T23:59:59.000Z

    The one-electron oxidations of two dimers of half-sandwich osmium carbonyl complexes have been examined by electrochemistry, spectro-electrochemistry, and computational methods. The all-terminal carbonyl complex Os2Cp2(CO)4 (1, Cp = ?5-C5H5) undergoes a reversible one-electron anodic reaction at E1/2 = 0.41 V vs ferrocene in CH2Cl2/0.05 M [NBu4][B(C6F5)4], giving a rare example of a metal-metal bonded radical cation unsupported by bridging ligands. The IR spectrum of 1+ is consistent with an approximately 1:1 mixture of anti and gauche structures for the 33 e- radical cation in which it has retained all-terminal bonding of the CO ligands. DFT calculations, including orbital-occupancy-perturbed Mayer bond-order analyses, show that the HOMOs of anti-1 and gauche-1 are metal-ligand delocalized. Removal of an electron from 1 has very little effect on the Os-Os bond order, accounting for the resistance of 1+ to heterolytic cleavage. The Os-Os bond distance is calculated to decrease by 0.10 and 0.06 as a consequence of one-electron oxidation of anti-1 and gauche-1, respectively. The CO-bridged complex Os2Cp*2(?-CO)2(CO)2 (Cp* = ?5-C5Me5), trans-2, undergoes a more facile oxidation, E1/2 = - 0.11 V, giving a persistent radical cation shown by solution IR analysis to preserve its bridged-carbonyl structure. However, ESR analysis of frozen solutions of 2+ is interpreted in terms of the presence of two isomers, most likely anti-2+ and trans-2+, at low temperature. Calculations show that the HOMO of trans-2 is highly delocalized over the metal-ligand framework, with the bridging carbonyls accounting for about half of the orbital makeup. The Os-Os bond order again changes very little with removal of an electron, and the Os-Os bond length actually undergoes minor shortening. Calculations suggest that the second isomer of 2+ has both the trans CO-bridged and the anti all-terminal CO structures. DRL and WEG acknowledge the support of the National Science Foundation under grant CHE-0808909. K-WH acknowledges financial support from KAUST. RMB thanks the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Biosciences and Geosciences for support. Pacific Northwest National Laboratory is a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy. We thank Dr. S. I. Gorelsky for the discussion on the OOP analysis.

  10. 3.0 Exporting Models Save model as OBJ file

    E-Print Network [OSTI]

    Gordon, Scott

    3.0 Exporting Models Save model as OBJ file: o Make sure that the model, and the UV-unwrapping, are open and displayed. o File Export wavefront.obj o Navigate to desired directory (remember that single RETURN to accept the name (or use the Export Wavefront button in the upper right) o Click on the Export

  11. Energy Efficient Prefetching with Buffer Disks for Cluster File Systems

    E-Print Network [OSTI]

    Qin, Xiao

    Energy Efficient Prefetching with Buffer Disks for Cluster File Systems Adam Manzanares, Xiaojun the energy- efficiency of large scale parallel storage systems. To address these issues we introduce EEVFS (Energy Efficient Virtual File System), which is able to manage data placement and disk states to help

  12. Harvard Library: FY2011 Volumes, Records, Titles, and Digital Files

    E-Print Network [OSTI]

    Harvard Library: FY2011 Volumes, Records, Titles, and Digital Files Total Expenditures *Digital Millions Fiscal Year Volumes Bibliographic Records Titles Files in DRS* $0 $10 $20 $30 $40 $50 $60 $70 $80 a coordinated management structure and increasingly focus resources on the opportunities presented by new

  13. DOCTORAL STUDENTS FILING CHECKLIST Consider Your Dissertation Content

    E-Print Network [OSTI]

    Jacobs, Lucia

    DOCTORAL STUDENTS FILING CHECKLIST Consider Your Dissertation Content Does your dissertation before you file. PLAN AHEAD! Check Your Committee Log in to GLOW and verify your dissertation committee-3 business days for your dissertation to be reviewed. Be patient! Complete the Additional Forms o Survey

  14. File:Mmpa.pdf | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnualPropertyd8c-a9ae-f8521cbb8489 NoEuropeStrat.pdf Jump to: navigation, search File

  15. Hopper File Storage and I/O

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC) EnvironmentalGyroSolé(tm) HarmonicbetandEnergy 2010 A selectionFile Storage and

  16. Detailed Drawings of NERSC File Systems

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625govInstrumentstdmadapInactiveVisitingContract Management FermiDavid Turner David3Depth ProfilefromRefinement |File

  17. File:Consultants.pdf | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump to: navigation,Size of this preview:File EditSW NOI

  18. File:Coordination.pdf | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump to: navigation,Size of this preview:File EditSW NOICoordination.pdf Jump

  19. Transportation and Energy Use Data Files

    U.S. Energy Information Administration (EIA) 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 onYou are nowTotal" (Percent) Type: Sulfur Content API GravityDakota" "Fuel, quality", 2013,Iowa"Dakota"YearProductionShaleInput Product:InputData Files

  20. Core File Settings | Argonne Leadership Computing Facility

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

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

  1. Single File Line, Please! | The Ames Laboratory

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level:Energy: Grid Integration Redefining What'sis Taking Over Our Instagram Secretary Moniz9Morgan McCorkleSingin' in the Rain NewsSingle File

  2. Category:Map Files | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnualProperty EditCalifornia:Power LPInformationCashtonGo Back to PVMagnetotellurics asFiles

  3. Franklin File Storage and I/O

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC) Environmental Assessments (EA)Budget(DANCE) TargetForms &FrancisEmailFile storage

  4. Storing files in a parallel computing system based on user-specified parser function

    DOE Patents [OSTI]

    Faibish, Sorin; Bent, John M; Tzelnic, Percy; Grider, Gary; Manzanares, Adam; Torres, Aaron

    2014-10-21T23:59:59.000Z

    Techniques are provided for storing files in a parallel computing system based on a user-specified parser function. A plurality of files generated by a distributed application in a parallel computing system are stored by obtaining a parser from the distributed application for processing the plurality of files prior to storage; and storing one or more of the plurality of files in one or more storage nodes of the parallel computing system based on the processing by the parser. The plurality of files comprise one or more of a plurality of complete files and a plurality of sub-files. The parser can optionally store only those files that satisfy one or more semantic requirements of the parser. The parser can also extract metadata from one or more of the files and the extracted metadata can be stored with one or more of the plurality of files and used for searching for files.

  5. Electronic and Magnetization Dynamics of Cobalt Substituted Iron Oxide Nanocrystals

    E-Print Network [OSTI]

    Chen, Tai-Yen

    2011-02-22T23:59:59.000Z

    to excite the weak absorption originating from the intervalence charge transfer transition (IVCT) between Fe2+ and Fe3+ ions of Fe3O4 nanocrystals. The timescale and corresponding relaxation processes of electronic relaxation dynamics of the excited IVCT...

  6. Electronic properties of phenylated ligand-capped nanoparticle films

    E-Print Network [OSTI]

    Schilling, Thomas C

    2006-01-01T23:59:59.000Z

    An investigation was carried out of the electronic characteristics of drop-cast films comprised of phenylated ligand-capped gold nanoparticles. In homoligand-type films, the dominant mechanism of charge transfer was expected ...

  7. U.S. Geological Survey Open-File Report 02328 Geological Survey of Canada Open File 4350

    E-Print Network [OSTI]

    Goldfinger, Chris

    U.S. Geological Survey Open-File Report 02­328 Geological Survey of Canada Open File 4350 August, University of Victoria, P.O. Box 3055, STN CSC, Victoria, BC, V8W 3P6, Canada #12;ISBN: 0 of Canada and the University of Victoria. This meeting was held at the University of Victoria's Dunsmuir

  8. Modelling charge transfer reactions with the frozen density embedding formalism

    SciTech Connect (OSTI)

    Pavanello, Michele [Gorlaeus Laboratories, Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Neugebauer, Johannes [Institute for Physical and Theoretical Chemistry, Technische Universitaet Braunschweig, Hans-Sommer-Strasse 10, 38106 Braunschweig (Germany)

    2011-12-21T23:59:59.000Z

    The frozen density embedding (FDE) subsystem formulation of density-functional theory is a useful tool for studying charge transfer reactions. In this work charge-localized, diabatic states are generated directly with FDE and used to calculate electronic couplings of hole transfer reactions in two {pi}-stacked nucleobase dimers of B-DNA: 5{sup '}-GG-3{sup '} and 5{sup '}-GT-3{sup '}. The calculations rely on two assumptions: the two-state model, and a small differential overlap between donor and acceptor subsystem densities. The resulting electronic couplings agree well with benchmark values for those exchange-correlation functionals that contain a high percentage of exact exchange. Instead, when semilocal GGA functionals are used the electronic couplings are grossly overestimated.

  9. The electron transfer system of syntrophically grown Desulfovibrio vulgaris

    E-Print Network [OSTI]

    Walker, C.B.

    2010-01-01T23:59:59.000Z

    chemostat in coculture medium (CCM) containing 30 mM sodium2 SO 4 (monoculture only). CCM also contained a basal saltused to inoculate 100 ml of CCM (amended with sulfate for

  10. The Electron Transfer System of Syntrophically Grown Desulfovibrio vulgaris

    E-Print Network [OSTI]

    Walker, Christopher B.

    2011-01-01T23:59:59.000Z

    chemostat in coculture medium (CCM) containing 30 mM sodium2 SO 4 (monoculture only). CCM also contained a basal saltused to inoculate 100 ml of CCM (amended with sulfate for

  11. Photoinduced intermolecular electron transfer in complex liquids: Experiment and theory

    E-Print Network [OSTI]

    Fayer, Michael D.

    : acetonitrile, ethanol, propylene glycol, and mixtures of ethanol, 2-butanol, ethylene glycol, propylene glycol. Measurements were per- formed in ethanol and propylene glycol as examples of pure hydrogen-bonding solvents

  12. Wireless power transfer for scaled electronic biomedical implants

    E-Print Network [OSTI]

    Theilmann, Paul Thomas

    2012-01-01T23:59:59.000Z

    S 67 Figure 2.16: Power loss due to induced eddyFigure 4.9: Instantaneous power loss in branch 1 versus time6 slope which describes power loss versus distance for an

  13. Electron Transfer Dynamics in Photocatalytic CO2 Conversion ...

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

    etc.) to slowly convert stored CO2 into more useful products such as methane and methanol. Photocatalysis is the acceleration of a light-induced reaction in the presence of a...

  14. (Electron transfer rates at semiconductor/liquid interfaces)

    SciTech Connect (OSTI)

    Lewis, N.S.

    1992-01-01T23:59:59.000Z

    Work has focused on several aspects of the fundamental chemistry and physics semiconductor/liquid junction behavior. These projects have been directed primarily towards GaAs/liquid contacts, because GaAs/liquid systems provide high energy conversion efficiencies and offer an opportunity to gain mechanistic understanding of the factors that are important to control in an efficient photoelectrochemical energy conversion system.

  15. [Electron transfer rates at semiconductor/liquid interfaces]. Progress report

    SciTech Connect (OSTI)

    Lewis, N.S.

    1992-08-01T23:59:59.000Z

    Work has focused on several aspects of the fundamental chemistry and physics semiconductor/liquid junction behavior. These projects have been directed primarily towards GaAs/liquid contacts, because GaAs/liquid systems provide high energy conversion efficiencies and offer an opportunity to gain mechanistic understanding of the factors that are important to control in an efficient photoelectrochemical energy conversion system.

  16. Electron Transfer Dynamics in Efficient Molecular Solar Cells

    SciTech Connect (OSTI)

    Meyer, Gerald John

    2014-10-01T23:59:59.000Z

    This research provided new mechanistic insights into surface mediated photochemical processes relevant to solar energy conversion. In this past three years our research has focused on oxidation photo-redox chemistry and on the role surface electric fields play on basic spectroscopic properties of molecular-semiconductor interfaces. Although this research as purely fundamental science, the results and their interpretation have relevance to applications in dye sensitized and photogalvanic solar cells as well as in the storage of solar energy in the form of chemical bonds.

  17. Wireless power transfer for scaled electronic biomedical implants

    E-Print Network [OSTI]

    Theilmann, Paul Thomas

    2012-01-01T23:59:59.000Z

    System Model .. 105 3.3.1 Model Verification . 108 Summary . 112 References .. 113 Chapter 4 Low Power

  18. Wireless power transfer for scaled electronic biomedical implants

    E-Print Network [OSTI]

    Theilmann, Paul Thomas

    2012-01-01T23:59:59.000Z

    7.17: Normalized short circuit current of FD-SOI versusFigure 7.30: Normalized short circuit current of the FD-SOIthe photodiode whose short circuit current is measured by a

  19. Combined Pulsed-Q dissociation and electron transfer dissociation...

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

    Analysis of the phosphoproteome of human fibroblast cells demonstrated that this hybrid mode is superior to either PQD or ETD alone for phosphopeptide identification and...

  20. Wireless power transfer for scaled electronic biomedical implants

    E-Print Network [OSTI]

    Theilmann, Paul Thomas

    2012-01-01T23:59:59.000Z

    Implantable Micro Oxygen Generator (IMOG)," BiomedicalImplantable Micro Oxygen Generator (IMOG)," Biomedical

  1. Comparing the Primary Electron Transfer Process in Organic Photovoltaic

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625govInstrumentstdmadapInactiveVisiting theCommercialization and Innovation2010 2010 EIA-28Potential

  2. Light-harvesting, Excitation Energy/Electron Transfer, and Photoregulation

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC)Integrated Codes |Is Your HomeLatestCenter (LMI-EFRC) - EliCenterCenterCenterSafetyin

  3. Exploring Electron Transfer in Organic Semiconductors | MIT-Harvard Center

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC) Environmental Assessments (EA) /EmailMolecular Solids1 BeamlineExplorefor

  4. Manipulator mounted transfer platform

    DOE Patents [OSTI]

    Dobbins, James C. (Idaho Falls, ID); Hoover, Mark A. (Idaho Falls, ID); May, Kay W. (Idaho Falls, ID); Ross, Maurice J. (Pocatello, ID)

    1990-01-01T23:59:59.000Z

    A transfer platform for the conveyance of objects by a manipulator includes a bed frame and saddle clamp secured along an edge of the bed frame and adapted so as to secure the bed frame to a horizontal crosspiece of the manipulator. The platform may thus move with the manipulator in a reciprocal linear path defined by a guide rail. A bed insert may be provided for the support of conveyed objects and a lifting bail may be provided to permit the manipulator arm to install the bed frame upon the crosspiece under remote control.

  5. Data Transfer and Access

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

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

  6. Technology Transfer Reporting Form

    Office of Environmental Management (EM)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742 33Frequently AskedEnergyIssuesEnergy Solar Decathlon |1999Energy-Technology TransferThis

  7. Method of fabricating a cooled electronic system

    DOE Patents [OSTI]

    Chainer, Timothy J; Gaynes, Michael A; Graybill, David P; Iyengar, Madhusudan K; Kamath, Vinod; Kochuparambil, Bejoy J; Schmidt, Roger R; Schultz, Mark D; Simco, Daniel P; Steinke, Mark E

    2014-02-11T23:59:59.000Z

    A method of fabricating a liquid-cooled electronic system is provided which includes an electronic assembly having an electronics card and a socket with a latch at one end. The latch facilitates securing of the card within the socket. The method includes providing a liquid-cooled cold rail at the one end of the socket, and a thermal spreader to couple the electronics card to the cold rail. The thermal spreader includes first and second thermal transfer plates coupled to first and second surfaces on opposite sides of the card, and thermally conductive extensions extending from end edges of the plates, which couple the respective transfer plates to the liquid-cooled cold rail. The extensions are disposed to the sides of the latch, and the card is securable within or removable from the socket using the latch without removing the cold rail or the thermal spreader.

  8. CHAPTER 5. QUANTUM-EFFECT AND HOT-ELECTRON DEVICES Dept. of Electrical Engineering

    E-Print Network [OSTI]

    Luryi, Serge

    - 1 - CHAPTER 5. QUANTUM-EFFECT AND HOT-ELECTRON DEVICES S. Luryi Dept. of Electrical Engineering Devices 41 5.3.3 Real-Space Transfer Transistors (RSTT) 45 5.3.4 Resonant Hot-Electron And Bipolar Blockade 32 5.3 HOT-ELECTRON STRUCTURES 5.3.1 Hot Electrons In Semiconductors 37 5.3.2 Ballistic Injection

  9. 11. Working with files in Rhythmyx Lee Bryant v1.3 | 18/06/10

    E-Print Network [OSTI]

    Doran, Simon J.

    11. Working with files in Rhythmyx Lee Bryant v1.3 | 18/06/10 Part One: Uploading a file Lee Bryant v1.3 Part Two: Inserting a link to a file on a page Objectives To insert a link to the file

  10. File system, SaveRestore and Sequencer for LINAC2, DESY2, PETRA3 and FLASH,

    E-Print Network [OSTI]

    File system, SaveRestore and Sequencer for LINAC2, DESY2, PETRA3 and FLASH, a status report Jrgen 4 #12;Basic principle of "Machine file system" disk save rings linacs `set points' `read-back' values position Quads position Beam etc. machine file restore More features: compare: between file

  11. Elastic electron scattering from formic acid

    SciTech Connect (OSTI)

    Trevisan, Cynthia S.; Orel, Ann E.; Rescigno, Thomas N.

    2006-07-31T23:59:59.000Z

    Following our earlier study on the dynamics of low energy electron attachment to formic acid, we report the results of elastic low-energy electron collisions with formic acid. Momentum transfer and angular differential cross sections were obtained by performing fixed-nuclei calculations employing the complex Kohn variational method. We make a brief description of the technique used to account for the polar nature of this polyatomic target and compare our results with available experimental data.

  12. DATA META FILE 2004 This file describes the instrumentation, field setup, and quality control procedures

    E-Print Network [OSTI]

    Minnesota, University of

    and analyses were supported by the Office of Science (BER), U.S. Department of Energy, Grant No. DE-FG02-03ER - - - 2 DOY - - - 3 DDOY - - - 4 Time (hour/minute) - - - 5 Solar radiation (K) W/m2 Eppley PSP 3.7 m 6 be approximated from the incoming global solar radiation signal by dividing by a factor of 2.1. Data Files

  13. Comparison of leading parallel NAS file systems on commodity hardware

    SciTech Connect (OSTI)

    Hedges, R; Fitzgerald, K; Gary, M; Stearman, D M

    2010-11-08T23:59:59.000Z

    High performance computing has experienced tremendous gains in system performance over the past 20 years. Unfortunately other system capabilities, such as file I/O, have not grown commensurately. In this activity, we present the results of our tests of two leading file systems (GPFS and Lustre) on the same physical hardware. This hardware is the standard commodity storage solution in use at LLNL and, while much smaller in size, is intended to enable us to learn about differences between the two systems in terms of performance, ease of use and resilience. This work represents the first hardware consistent study of the two leading file systems that the authors are aware of.

  14. File:01WAALandUsePlanning.pdf | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand JumpConceptual1WAALandUsePlanning.pdf Jump to: navigation, search File File history File usage

  15. File:02SiteConsiderations (1).pdf | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand JumpConceptual1WAALandUsePlanning.pdf Jump to: navigation, search File File history File

  16. File:03TXAStateGeothermalLease.pdf | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealandORCEncroachment.pdf Jump to: navigation, search File File history File3TXAStateGeothermalLease.pdf Jump

  17. File:03TXBLandAccess.pdf | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealandORCEncroachment.pdf Jump to: navigation, search File File history File3TXAStateGeothermalLease.pdf

  18. File:06UTATransportation.pdf | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealandORCEncroachment.pdf JumpUTATransportation.pdf Jump to: navigation, search File File history File usage

  19. File:06UTBStormWaterPermit.pdf | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealandORCEncroachment.pdf JumpUTATransportation.pdf Jump to: navigation, search File File history File

  20. File:NREL-asia-dir.pdf | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are8COaBulkTransmissionSitingProcess.pdf Jump to:ar-80m.pdf Jump to: navigation, search File File history File

  1. Forward and reverse energy transfer in Langmuir-Blodgett multilayers

    SciTech Connect (OSTI)

    Sienicki, K. (Universite Laval, Quebec (Canada))

    1990-03-08T23:59:59.000Z

    The transport of electronic excitations among chromophores randomly distributed in Langmuir-Blodgett multilayers is described. In this theoretical analysis, it has been assumed that excitation energy can be transferred forward and reverse between two-dimensional layers. Fluorescence decays have been calculated for each layer. A numerical analysis of fluorescence decays is given in order to show the influence of reverse energy transfer on photophysical properties of Langmuir-Blodgett multilayers. The discussion of results in connection with recent and future experimental studies is presented.

  2. Technology transfer | Argonne National Laboratory

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

    Technology transfer Technology Development and Commercialization at Argonne Read more about Technology Development and Commercialization at Argonne New Director to lead Technology...

  3. Study of the Effects of Surface Morphology and Droplet Growth Dynamics on Condensation Heat Transfer

    E-Print Network [OSTI]

    Yao, Chun-Wei

    2014-04-23T23:59:59.000Z

    system 2 on Sample 3 (50??m micropillar spacing hybrid surface) ............................................................................................... 66 Figure 24. Environmental scanning electron microscopy (ESEM) time- sequence images... tension gradients to promote and induce a droplet removal mechanism. They concluded that their gradient surface exhibited a higher heat transfer coefficient than a hydrophobic silane based surface. More recently, environmental scanning electron...

  4. Airtight container for the transfer of atmosphere-sensitive materials into vacuum-operated characterization instruments

    SciTech Connect (OSTI)

    Gaume, Romain M. [CREOL, the College of Optics and Photonics, University of Central Florida, Orlando, Florida 32816-2700 (United States); Joubert, Lydia-Marie [Cell Sciences Imaging Facility, Beckman Center, Stanford University, Stanford, California 94305 (United States)

    2011-12-15T23:59:59.000Z

    This paper describes the design and operation of a simple airtight container devised to facilitate the transfer of atmosphere-sensitive samples from a glovebox to the vacuum chamber of an analytical instrument such as a scanning electron microscope. The use of this device for characterizing the microstructure of highly hygroscopic strontium iodide ceramics by scanning electron microscopy is illustrated as an application example.

  5. Technology transfer 1995

    SciTech Connect (OSTI)

    Not Available

    1995-01-01T23:59:59.000Z

    Technology Transfer 1995 is intended to inform the US industrial and academic sectors about the many opportunities they have to form partnerships with the US Department of Energy (DOE) for the mutual advantage of the individual institutions, DOE, and the nation as a whole. It also describes some of the growing number of remarkable achievements resulting from such partnerships. These partnership success stories offer ample evidence that Americans are learning how to work together to secure major benefits for the nation--by combining the technological, scientific, and human resources resident in national laboratories with those in industry and academia. The benefits include more and better jobs for Americans, improved productivity and global competitiveness for technology-based industries, and a more efficient government laboratory system.

  6. Heat transfer probe

    DOE Patents [OSTI]

    Frank, Jeffrey I.; Rosengart, Axel J.; Kasza, Ken; Yu, Wenhua; Chien, Tai-Hsin; Franklin, Jeff

    2006-10-10T23:59:59.000Z

    Apparatuses, systems, methods, and computer code for, among other things, monitoring the health of samples such as the brain while providing local cooling or heating. A representative device is a heat transfer probe, which includes an inner channel, a tip, a concentric outer channel, a first temperature sensor, and a second temperature sensor. The inner channel is configured to transport working fluid from an inner inlet to an inner outlet. The tip is configured to receive at least a portion of the working fluid from the inner outlet. The concentric outer channel is configured to transport the working fluid from the inner outlet to an outer outlet. The first temperature sensor is coupled to the tip, and the second temperature sensor spaced apart from the first temperature sensor.

  7. General Relativistic Radiative Transfer

    E-Print Network [OSTI]

    S. Knop; P. H. Hauschildt; E. Baron

    2006-11-30T23:59:59.000Z

    We present a general method to calculate radiative transfer including scattering in the continuum as well as in lines in spherically symmetric systems that are influenced by the effects of general relativity (GR). We utilize a comoving wavelength ansatz that allows to resolve spectral lines throughout the atmosphere. The used numerical solution is an operator splitting (OS) technique that uses a characteristic formal solution. The bending of photon paths and the wavelength shifts due to the effects of GR are fully taken into account, as is the treatment of image generation in a curved spacetime. We describe the algorithm we use and demonstrate the effects of GR on the radiative transport of a two level atom line in a neutron star like atmosphere for various combinations of continuous and line scattering coefficients. In addition, we present grey continuum models and discuss the effects of different scattering albedos on the emergent spectra and the determination of effective temperatures and radii of neutron star atmospheres.

  8. Oligomer and mixed-metal compounds potential multielectron transfer catalysts

    SciTech Connect (OSTI)

    Rillema, D.P.

    1992-03-30T23:59:59.000Z

    Projects related to the design and characterization of multimetallic complexes has proceeded forward with a number of achievements. First, photoprocesses in hydrogel matrices lead to the conclusion that cationic metallochromophores could be ion exchanged into a hydrogel matrix ({kappa}-carageenan) and substantial photocurrents could be generated. Second, X-ray structures of Ru(bpy){sub 3}{sup 2+}, Ru(bpm){sub 3}{sup 2+} and Ru(bpz){sub 3}{sup 2+}, where bpy is 2,2{prime}-bipyridine, bpm is 2,2{prime}-bipyrimidine and bpz is 2,2{prime}-bipyrizine, were obtained and revealed similar Ru-N bond distances in each complex even though their {sigma}-donor and {pi}-acceptor character differ markedly. The structure parameters are expected to provide theoreticians with the information needed to probe the electronic character of the molecular systems and provide us with direction in our synthetic strategies. Third, a copper(I) complex was synthesized with a dimeric-ethane-bridged, 1,10-phenanthroline ligand that resulted in isolation of a bimetallic species. The copper(I) complex did luminesce weakly, suggesting that the dimer possesses potential electron transfer capability. Fourth, the photophysical properties of (Re(CO){sub 4}(L-L)){sup +}, where L-L = heterocyclic diimine ligands, and Pt(bph)X{sub 2}, where bph = the dianion of biphenyl and X = CH{sub 3}CN, py or ethylendiamine, displayed luminescence at high energy and underwent excited-state electron transfer. Such high energy emitters provide high driving forces for undergoing excited-state electron transfer. Fifth, both energy and electron transfer were observed in mixed-metal complexes bridged by 1,2-bis(2,2{prime}-bipyridyl-4{prime}-yl) ethane.

  9. High Gradient Two-Beam Electron Accelerator

    SciTech Connect (OSTI)

    Jiang, Y. [Beam Physics Laboratory, Yale University, 272 Whitney Ave., New Haven, CT 06511 (United States); Kazakov, S. Yu. [Omega-P, Inc., 258 Bradley St., New Haven, CT 06510 (United States); Fermi National Accelerator Laboratory, Batavia, IL 60510 (United States); Kuzikov, S. V. [Omega-P, Inc., 258 Bradley St., New Haven, CT 06510 (United States); Institute of Applied Physics, Nizhny Novgorod, 603600 (Russian Federation); Hirshfield, J. L. [Beam Physics Laboratory, Yale University, 272 Whitney Ave., New Haven, CT 06511 (United States); Omega-P, Inc., 258 Bradley St., New Haven, CT 06510 (United States)

    2010-11-04T23:59:59.000Z

    A high-gradient two-beam electron accelerator structure using detuned cavities is described. A self-consistent theory based on a circuit model is presented to calculate idealized acceleration gradient, transformer ratio, and efficiency for energy transfer from the drive beam to the accelerated beam. Experimental efforts are being carried out to demonstrate this acceleration concept.

  10. Electron tube

    DOE Patents [OSTI]

    Suyama, Motohiro (Hamamatsu, JP); Fukasawa, Atsuhito (Hamamatsu, JP); Arisaka, Katsushi (Los Angeles, CA); Wang, Hanguo (North Hills, CA)

    2011-12-20T23:59:59.000Z

    An electron tube of the present invention includes: a vacuum vessel including a face plate portion made of synthetic silica and having a surface on which a photoelectric surface is provided, a stem portion arranged facing the photoelectric surface and made of synthetic silica, and a side tube portion having one end connected to the face plate portion and the other end connected to the stem portion and made of synthetic silica; a projection portion arranged in the vacuum vessel, extending from the stem portion toward the photoelectric surface, and made of synthetic silica; and an electron detector arranged on the projection portion, for detecting electrons from the photoelectric surface, and made of silicon.

  11. APPLICATION FOR ASSISTANCE EE File xxx STAFF TRAINING & DEVELOPMENT FUND

    E-Print Network [OSTI]

    Martin, Jeff

    APPLICATION FOR ASSISTANCE EE File xxx STAFF TRAINING & DEVELOPMENT FUND Program Information debited account number and amount). Employee Name: ______________________________________ Group: AESES xxx / IUOE xxx / CMP xxx Department: __________________________________________ Dept. Account

  12. APPLICATION FOR ASSISTANCE EE File xxx STAFF TRAINING & DEVELOPMENT FUND

    E-Print Network [OSTI]

    Martin, Jeff

    APPLICATION FOR ASSISTANCE EE File xxx STAFF TRAINING & DEVELOPMENT FUND Program Information Information Employee Name: __________________________________ Group: AESES xxx / IUOE xxx / CMP xxx Department: ______________________________________ Program Type: Seminar xxx / Webinar xxx / Workshop xxx / Conference xxx / Non-Credit Course xxx

  13. Deploying Server-side File System Monitoring at NERSC

    E-Print Network [OSTI]

    Uselton, Andrew

    2009-01-01T23:59:59.000Z

    Deploying Server-side File System Monitoring at NERSC Andrewcenter was equipped with the server-side I/O monitoringfor observing and recording server-side per- formance

  14. An evaluated neutronic data file for elemental cobalt

    SciTech Connect (OSTI)

    Guenther, P.; Lawson, R.; Meadows, J.; Sugimoto, M.; Smith, A.; Smith, D.; Howerton, R.

    1988-08-01T23:59:59.000Z

    A comprehensive evaluated neutronic data file for elemental cobalt is described. The experimental data base, the calculational methods, the evaluation techniques and judgments, and the physical content are outlined. The file contains: neutron total and scattering cross sections and associated properties, (n,2n) and (n,3n) processes, neutron radiative capture processes, charged-particle-emission processes, and photon-production processes. The file extends from 10/sup /minus/5/ eV to 20 MeV, and is presented in the ENDF/B-VI format. Detailed attention is given to the uncertainties and correlations associated with the prominent neutron-induced processes. The numerical contents of the file have been transmitted to the National Nuclear Data Center, Brookhaven National Laboratory. 143 refs., 16 figs., 5 tabs.

  15. administrative files collection: Topics by E-print Network

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

    Resources - Use of Peer-to-Peer File Sharing Software Page 1 of 3 Software Approved October 24, 2006 Revised April 27, 2010 Revised February 10, 2012 Revised August 14, 2013...

  16. File:TCEQ Map.pdf | Open Energy Information

    Open Energy Info (EERE)

    to view the file as it appeared at that time. DateTime Thumbnail Dimensions User Comment current 09:11, 10 July 2013 Thumbnail for version as of 09:11, 10 July 2013 1,275 ...

  17. Proposed database model and file structures for arthropod collection management

    E-Print Network [OSTI]

    Mathis, Wayne N.

    Proposed database model and file structures for arthropod collection management Ronald A for taxonomic analysis or behavioral, physiological, and ecological information. The database model described how specific computerization projects can be related to each other. The proposed database model

  18. Single photoelectron spin detection and angular momentum transfer in a gate defined quantum dot

    E-Print Network [OSTI]

    Takafumi Fujita; Kazuhiro Morimoto; Haruki Kiyama; Giles Allison; Marcus Larsson; Arne Ludwig; Sascha R. Valentin; Andreas D. Wieck; Akira Oiwa; Seigo Tarucha

    2015-04-14T23:59:59.000Z

    Recent innovations in fabricating nanoscale confined spin systems have enabled investigation of fundamental quantum correlations between single quanta of photons and matter states. Realization of quantum state transfer from photon polarization to electron spin using gate defined quantum dots (QDs) may give evidence of preserved coherence of angular momentum basis states at the photon-spin interface. The interface would enlarge the concept of quantum information technology, in which single photogenerated electron spins are manipulated with the dots, but this remains a serious challenge. Here, we report the detection of single electron spins generated by polarized single photons via a double QD (DQD) to verify the angular momentum transfer from single photons to single electrons. Pauli spin blockade (PSB) is used to project the photoelectron spin state onto the up or down spin state. Our result promises the realization of coherent quantum state transfer and development of hybrid photon and spin quantum technology.

  19. COMPUTER APPLICATIONS IN THE GEOSCIENCES For this lab, you will practice editing image files in Adobe Photoshop and construct a

    E-Print Network [OSTI]

    Smith-Konter, Bridget

    "Save Target As" (PCs) or "Save Image As" (Macs). Save the file to your Lab3 folder on \\\\geobase a different editing technique and save to a different file type (ex., .jpg, .ps, .tiff, .pdf,) . Image 1 it to the appropriate location. Save your image as a jPEG file. Go to File Save As. Name your file Image_1

  20. File:03UTBStateEasementProcess.pdf | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealandORCEncroachment.pdf Jump to: navigation, search File File

  1. MATERIALS TRANSFER AGREEMENT

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville PowerCherries 82981-1cnHigh SchoolIn12electron 9November 6, In this issue:^J MASTER Mfy

  2. A Theoretical Investigation Into Energy Transfer In Photosynthetic Open Quantum Systems

    E-Print Network [OSTI]

    Wilkins, David M

    2015-01-01T23:59:59.000Z

    This thesis looks at the electronic energy transfer in the Fenna-Matthews-Olson complex, in which evidence of long-lived coherence has been observed in 2-dimensional infrared experiments. I use three techniques: the numerically exact Hierarchical Equations of Motion, and the perturbative Redfield and Foerster theories, the latter of which ignores quantum coherence in the transfer. Both of the approximate methods perform very well - and while oscillations in site populations (a hallmark of coherence) are present in the exact transfer dynamics and absent in the dynamics of Foerster theory, the latter gives a reasonable prediction of transfer rates and steady-state populations, despite being incoherent - suggesting that coherence is not vital for the dynamics of transfer. Since Foerster theory is very inexpensive to run and performs so well, I then apply it to calculate the effects of static disorder in bacteriochlorophyll site energies and of a more structured spectral density. Ultimately, the energy transfer i...

  3. Electron-electron interaction, weak localization and spin valve effect in vertical-transport graphene devices

    SciTech Connect (OSTI)

    Long, Mingsheng; Gong, Youpin; Wei, Xiangfei; Zhu, Chao; Xu, Jianbao; Liu, Ping; Guo, Yufen; Li, Weiwei; Liu, Liwei, E-mail: lwliu2007@sinano.ac.cn [Key Laboratory of Nanodevices and Applications-CAS and Collaborative Innovation Center of Suzhou Nano Science and Technology, Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences (CAS), Suzhou 215123 (China); Liu, Guangtong [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

    2014-04-14T23:59:59.000Z

    We fabricated a vertical structure device, in which graphene is sandwiched between two asymmetric ferromagnetic electrodes. The measurements of electron and spin transport were performed across the combined channels containing the vertical and horizontal components. The presence of electron-electron interaction (EEI) was found not only at low temperatures but also at moderate temperatures up to ?120?K, and EEI dominates over weak localization (WL) with and without applying magnetic fields perpendicular to the sample plane. Moreover, spin valve effect was observed when magnetic filed is swept at the direction parallel to the sample surface. We attribute the EEI and WL surviving at a relatively high temperature to the effective suppress of phonon scattering in the vertical device structure. The findings open a way for studying quantum correlation at relatively high temperature.

  4. e-Diss@UNI BERN Guidelines for electronic dissertation publication on the server of

    E-Print Network [OSTI]

    Richner, Heinz

    1 e-Diss@UNI BERN Guidelines for electronic dissertation publication on the server the publication of my dissertation on the server of the University Library of Bern". 2. Creative Commons License are copied on the server by the UB. There will be a link to the PDF files in the catalog entry. If you have

  5. e-Diss@UNI BERN Guidelines for electronic dissertation publication on the server of

    E-Print Network [OSTI]

    Richner, Heinz

    e-Diss@UNI BERN Guidelines for electronic dissertation publication on the server of the University the publication of my dissertation on the server of the University Library of Bern". 2. Creative Commons License are copied on the server by the UB. There will be a link to the PDF files in the catalog entry. If you have

  6. Second Line of Defense Help Desk: Electronic Maintenance Reports - Local Maintenance Provider User Guide Rev. 1

    SciTech Connect (OSTI)

    Leigh, Richard J.

    2011-12-14T23:59:59.000Z

    The Electronic Maintenance Report forms present a uniform dataset for analysis of Sustainability metrics. These forms collect readily minable data while allowing the attachment of site-specific checklists or other supporting files for review by the Sustainability Manager and Program Management.

  7. Federating LHCb datasets using the DIRAC File catalog

    E-Print Network [OSTI]

    Haen, Christophe; Frank, Markus; Tsaregorodtsev, Andrei

    2015-01-01T23:59:59.000Z

    In the distributed computing model of LHCb the File Catalog (FC) is a central component that keeps track of each file and replica stored on the Grid. It is federating the LHCb data files in a logical namespace used by all LHCb applications. As a replica catalog, it is used for brokering jobs to sites where their input data is meant to be present, but also by jobs for finding alternative replicas if necessary. The LCG File Catalog (LFC) used originally by LHCb and other experiments is now being retired and needs to be replaced. The DIRAC File Catalog (DFC) was developed within the framework of the DIRAC Project and presented during CHEP 2012. From the technical point of view, the code powering the DFC follows an Aspect oriented programming (AOP): each type of entity that is manipulated by the DFC (Users, Files, Replicas, etc) is treated as a separate 'concern' in the AOP terminology. Hence, the database schema can also be adapted to the needs of a Virtual Organization. LHCb opted for a highly tuned MySQL datab...

  8. WeatherMaker: Weather file conversion and evaluation

    SciTech Connect (OSTI)

    Balcomb, J.D.

    1999-07-01T23:59:59.000Z

    WeatherMaker is a weather-data utility for use with the ENERGY-10 design-tool computer program. The three main features are: Convert--Weather files can be converted from one format to another. For example, a TMY2 format file can be converted to an ENERGY-10 binary file that can be used in a simulation. This binary file can then be converted to a text format that allows it to be read and/or manipulated in WordPad or Excel. Evaluate--ENERGY-10 weather files can be studied in great detail. There are 8 graphical displays of the data that provide insight into the data, and a summary tables that presents results calculated from the hourly data. Adjust--Hourly temperature data can be adjusted starting with hourly data from a nearby TMY2 site. Dry-bulb and wet-bulb temperatures are adjusted up or down as required to match given monthly statistics. This feature can be used to generate weather files for any of 3,958 sites in the US where such monthly statistics are tabulated. The paper shows a variety of results, explains the methods used, and discusses the rationale for making the adjustments. It is anticipated that WeatherMaker will be released by the time of the ASES Solar 99 conference.

  9. Cooled electronic system with thermal spreaders coupling electronics cards to cold rails

    DOE Patents [OSTI]

    Chainer, Timothy J; Gaynes, Michael A; Graybill, David P; Iyengar, Madhusudan K; Kamath, Vinod; Kochuparambil, Bejoy J; Schmidt, Roger R; Schultz, Mark D; Simco, Daniel P; Steinke, Mark E

    2013-07-23T23:59:59.000Z

    Liquid-cooled electronic systems are provided which include an electronic assembly having an electronics card and a socket with a latch at one end. The latch facilitates securing of the card within the socket or removal of the card from the socket. A liquid-cooled cold rail is disposed at the one end of the socket, and a thermal spreader couples the electronics card to the cold rail. The thermal spreader includes first and second thermal transfer plates coupled to first and second surfaces on opposite sides of the card, and thermally conductive extensions extending from end edges of the plates, which couple the respective transfer plates to the liquid-cooled cold rail. The thermally conductive extensions are disposed to the sides of the latch, and the card is securable within or removable from the socket using the latch without removing the cold rail or the thermal spreader.

  10. Analytic Data File Sets from the Comprehensive Epidemiologic Data Resource (CEDR)

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    The 261 files from more than 60 studies in CEDR's Analytic Data File Sets contain the data that a researcher directly used in conducting the analyses and result in reported findings or publication in a peer-reviewed journal. CEDR is a DOE electronic database comprised of health studies of DOE contract workers and environmental studies of areas surrounding DOE facilities. CEDR provides independent researchers and the public with access to de-identified data collected since the Department's early production years. Current holdings include studies of over 1 million workers at 31 DOE sites. Most of CEDR's holdings are derived from epidemiologic studies of DOE workers at many large nuclear weapons plants, such as Hanford, Los Alamos, the Oak Ridge reservation, Savannah River Site, and Rocky Flats. These studies primarily use death certificate information to identify excess deaths and patterns of disease among workers to determine what factors contribute to the risk of developing cancer and other illnesses. In addition, many of these studies have radiation exposure measurements on individual workers.

  11. adoptively transferred indium-111: Topics by E-print Network

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

    Afshin J. 140 Mass transfer andMass transfer and Mass transfer andMass transfer and Fossil Fuels Websites Summary: eknik Mass transfer andMass transfer and arationste Mass...

  12. Electron energy loss spectroscopy of gold nanoparticles on graphene

    SciTech Connect (OSTI)

    DeJarnette, Drew [Microelectronics and Photonics Graduate Program, University of Arkansas, Fayetteville, Arkansas 72701 (United States); Roper, D. Keith, E-mail: dkroper@uark.edu [Microelectronics and Photonics Graduate Program, University of Arkansas, Fayetteville, Arkansas 72701 (United States); Department of Chemical Engineering, University of Arkansas, Fayetteville, Arkansas 72701 (United States)

    2014-08-07T23:59:59.000Z

    Plasmon excitation decay by absorption, scattering, and hot electron transfer has been distinguished from effects induced by incident photons for gold nanoparticles on graphene monolayer using electron energy loss spectroscopy (EELS). Gold nano-ellipses were evaporated onto lithographed graphene, which was transferred onto a silicon nitride transmission electron microscopy grid. Plasmon decay from lithographed nanoparticles measured with EELS was compared in the absence and presence of the graphene monolayer. Measured decay values compared favorably with estimated radiative and non-radiative contributions to decay in the absence of graphene. Graphene significantly enhanced low-energy plasmon decay, increasing mode width 38%, but did not affect higher energy plasmon or dark mode decay. This decay beyond expected radiative and non-radiative mechanisms was attributed to hot electron transfer, and had quantum efficiency of 20%, consistent with previous reports.

  13. The Mechanism of Triplet Energy Transfer from the Special Pair to the Carotenoid in Bacterial Photosynthetic Reaction Centers

    E-Print Network [OSTI]

    Boxer, Steven G.

    to the prediction that the energy of 3BM is 200 ( 70 cm-1 above that of 3P in wild-type RCs; this analysisThe Mechanism of Triplet Energy Transfer from the Special Pair to the Carotenoid in Bacterial of triplet energy transfer from the primary electron donor P, a bacteriochlorophyll dimer, to the carotenoid

  14. Effects of partial charge-transfer solute -- solvent interactions in absorption spectra of aromatic hydrocarbons in aqueous and alcoholic solutions

    E-Print Network [OSTI]

    I. A. Ar'ev; N. I. Lebovka; E. A. Solovieva

    2013-03-03T23:59:59.000Z

    A method for study of charge-transfer interactions between solute molecules and solvent based on the comparison of the ratios of spectral shifts of different electronic transitions in solute molecules in chemically inert solvent is proposed. The method is applicable to molecules that do not change their dipole moment on excitation. As an example, a presence of charge transfer interactions in higher electronic states of aromatic hydrocarbons (benzene, phenanthrene, and naphthalene) dissolved in water and alcohols was demonstrated.

  15. Technology Transfer for Brownfields Redevelopment Project | Department...

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

    Technology Transfer for Brownfields Redevelopment Project Technology Transfer for Brownfields Redevelopment Project The U.S. Department of Energy has provided six computers to...

  16. Knowledge Capture and Transfer Program

    Broader source: Energy.gov [DOE]

    The Office of Learning and Workforce Development is working with Heads of Departmental Elements, DOE senior leaders and subject-matter-experts to capture and transfer the knowledge and experiences...

  17. Preparing for Transfer Biological Engineering

    E-Print Network [OSTI]

    Walter, M.Todd

    Environmental Engineering Game Design Industrial Systems & Information Technology Information Science MaterialsPreparing for Transfer Majors: Biological Engineering Chemical Engineering Civil Engineering Computer Science Electrical & Computer Engineering Engineering Physics Environmental Engineering

  18. ELECTRONIC WARFARE NOVEMBER 2012

    E-Print Network [OSTI]

    US Army Corps of Engineers

    FM 3-36 ELECTRONIC WARFARE NOVEMBER 2012 DISTRIBUTION RESTRICTION: Approved for public release Electronic Warfare Contents Page PREFACE..............................................................................................................iv Chapter 1 ELECTRONIC WARFARE OVERVIEW ............................................................ 1

  19. U-211: EMC Celerra/VNX/VNXe Access Control Bug Lets Remote Authenticated Users Access Files/Directories

    Broader source: Energy.gov [DOE]

    A vulnerability was reported in EMC Celerra/VNX/VNXe. A remote authenticated user can access files and directories on the target file system.

  20. Following electron flow: From a Gram-positive community to mechanisms of electron transfer

    E-Print Network [OSTI]

    Wrighton, Kelly Catherine

    2010-01-01T23:59:59.000Z

    was monitored by cessation of biogas production as well as awas monitored by cessation of biogas production as well as a

  1. Following electron flow: From a Gram-positive community to mechanisms of electron transfer

    E-Print Network [OSTI]

    Wrighton, Kelly Catherine

    2010-01-01T23:59:59.000Z

    protected stock solutions of riboflavin and AQDS as positivedata not shown) and riboflavin (Figure 2D) in our system, wein (A) spiked with riboflavin (black line) and the baseline

  2. Following electron flow: From a Gram-positive community to mechanisms of electron transfer

    E-Print Network [OSTI]

    Wrighton, Kelly Catherine

    2010-01-01T23:59:59.000Z

    oxide (HFO) or 2,6-anthraquinone disulfonic acid (AQDS).substances analog 2,6-anthraquinone disulfonate (AQDS), the

  3. Following electron flow: From a Gram-positive community to mechanisms of electron transfer

    E-Print Network [OSTI]

    Wrighton, Kelly Catherine

    2010-01-01T23:59:59.000Z

    catalyses electricity generation at microbial fuel cellElectricity generation from cellulose by rumen microorganisms in microbial fuelElectricity generation from cellulose by rumen microorganisms in microbial fuel

  4. Following electron flow: From a Gram-positive community to mechanisms of electron transfer

    E-Print Network [OSTI]

    Wrighton, Kelly Catherine

    2010-01-01T23:59:59.000Z

    DR (2003) Electricity production by Geobacter sulfurreducensDR (2003) Electricity production by Geobacter sulfurreducensDR (2003) Electricity production by Geobacter sulfurreducens

  5. Intercalation of Trioxatriangulenium Ion in DNA: Binding, Electron Transfer, X-ray Crystallography, and Electronic

    E-Print Network [OSTI]

    Williams, Loren

    treatment) primarily at GG steps. The X-ray crystal structure of TOTA+ intercalated in the hexameric duplex DNA is driven by recognition that the precise function of numerous synthetic and natural products by intercalators. Additional interest in investigation of intercalation and stacking was stimulated by the report

  6. January 9, 2014 10:13 WSPC/INSTRUCTION FILE ppl-benoit Parallel Processing Letters

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    January 9, 2014 10:13 WSPC/INSTRUCTION FILE ppl-benoit Parallel Processing Letters c World (2013)" DOI : 10.1142/S0129626413400033 #12;January 9, 2014 10:13 WSPC/INSTRUCTION FILE ppl-benoit 2

  7. June 11, 2010 12:24 WSPC/INSTRUCTION FILE PPL Parallel Processing Letters

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    June 11, 2010 12:24 WSPC/INSTRUCTION FILE PPL Parallel Processing Letters c World Scientific Processing Letters 20, 4 (2010) 307-324" #12;June 11, 2010 12:24 WSPC/INSTRUCTION FILE PPL 2 Parallel

  8. TABLEFS: Embedding a NoSQL Database Inside the Local File System

    E-Print Network [OSTI]

    monolithic database management system (DBMS) bundles [31]. 1 Background Even in the era of big data, most local file systems [34]. Embedded Databases File system metadata is structured data, a natural fit

  9. Proton transfer in histidine-tryptophan heterodimers embedded in helium droplets

    E-Print Network [OSTI]

    Bellina, Bruno; Kresin, Vitaly V

    2015-01-01T23:59:59.000Z

    We used cold helium droplets as nano-scale reactors to form and ionize, by electron bombardment and charge transfer, aromatic amino acid heterodimers of histidine with tryptophan, methyl-tryptophan, and indole. The molecular interaction occurring through an N-H...N hydrogen bond leads to a proton transfer from the indole group of tryptophan to the imidazole group of histidine in a radical cationic environment.

  10. Aquatic Toxicity Information Retrieval Data Base (ACQUIRE). Data file

    SciTech Connect (OSTI)

    Not Available

    1991-09-01T23:59:59.000Z

    The purpose of Acquire is to provide scientists and managers quick access to a comprehensive, systematic, computerized compilation of aquatic toxicity data. Scientific papers published both nationally and internationally on the toxicity of chemicals to aquatic organisms and plants are collected and reviewed for ACQUIRE. Independently compiled data files that meet ACQUIRE parameter and quality assurance criteria are also included. Selected toxicity test results and related testing information for any individual chemical from laboratory and field aquatic toxicity effects are included for tests with freshwater and marine organisms. The total number of data records in ACQUIRE is now over 105,300. This includes data from 6000 references, for 5200 chemicals and 2400 test species. A major data file, Acute Toxicity of Organic Chemicals (ATOC), has been incorporated into ACQUIRE. The ATOC file contains laboratory acute test data on 525 organic chemicals using juvenile fathead minnows.

  11. Nanoscale heat transfer - from computation to experiment

    E-Print Network [OSTI]

    Luo, Tengfei

    2013-04-09T23:59:59.000Z

    Heat transfer can differ distinctly at the nanoscale from that at the macroscale. Recent advancement in

  12. ARCHITECTURE OF A CHARGE-TRANSFER STATE REGULATING LIGHT HARVESTING IN A PLANT ANTENNA PROTEIN

    SciTech Connect (OSTI)

    Fleming, Graham; Ahn, Tae Kyu; Avenson, Thomas J.; Ballottari, Matteo; Cheng, Yuan-Chung; Niyogi, Krishna K.; Bassi, Roberto; Fleming, Graham R.

    2008-04-02T23:59:59.000Z

    Energy-dependent quenching of excess absorbed light energy (qE) is a vital mechanism for regulating photosynthetic light harvesting in higher plants. All of the physiological characteristics of qE have been positively correlated with charge-transfer between coupled chlorophyll and zeaxanthin molecules in the light-harvesting antenna of photosystem II (PSII). In this work, we present evidence for charge-transfer quenching in all three of the individual minor antenna complexes of PSII (CP29, CP26, and CP24), and we conclude that charge-transfer quenching in CP29 involves a de-localized state of an excitonically coupled chlorophyll dimer. We propose that reversible conformational changes in CP29 can `tune? the electronic coupling between the chlorophylls in this dimer, thereby modulating the energy of the chlorophylls-zeaxanthin charge-transfer state and switching on and off the charge-transfer quenching during qE.

  13. Direct comparison of graphene devices before and after transfer to different substrates

    SciTech Connect (OSTI)

    Sachs, Raymond; Lin, Zhisheng; Odenthal, Patrick; Kawakami, Roland; Shi, Jing [Department of Physics and Astronomy, University of California, Riverside, California 92521 (United States)

    2014-01-20T23:59:59.000Z

    The entire graphene field-effect-transistor devices first fabricated on SiO{sub 2}/Si are peeled from the surface and placed on a different wafer. Both longitudinal and transverse resistivity measurements of the devices before and after the transfer are measured to calculate the mobility for a direct comparison. After transferred to different SiO{sub 2}/Si wafers, the mobility, generally, is comparable, and the defect density does not show any significant increase, which indicates the degradation due to the transfer process itself is minimal. The same method can be applied to transfer graphene devices to any arbitrary substrates (e.g., SrTiO{sub 3} or STO). The transfer method developed here not only eliminates the need to locate single-layer graphene on non-SiO{sub 2}/Si substrates for patterning but also provides a convenient way to study the effects of various substrates on graphene electronic properties.

  14. Inventory Routing and On-line Inventory Routing File Format M. Sevaux1,2

    E-Print Network [OSTI]

    Brest, Université de

    Inventory Routing and On-line Inventory Routing File Format M. Sevaux1,2 M. J. Geiger1 1 Helmut needs in the Inventory Routing Problem types. Instead of creating a new file format or putting ASCII is an extension of the TSPLIB file format description proposed in [1] to be used for the Inventory Routing Problem

  15. Calibration File Manager Morgan Burke Ver. 2.2 1993 Oct 1

    E-Print Network [OSTI]

    CFM Calibration File Manager Morgan Burke Ver. 2.2 1993 Oct 1 1. Introduction What is CFM? CFM, short for Calibration File Manager, is a relational database developed by Brookhaven Experiment 787 to keep track of large numbers of data files containing calibration and related information for a high

  16. Understanding Pollution Dynamics in P2P File Sharing , Junghoo Cho

    E-Print Network [OSTI]

    Cho, Junghoo "John"

    Understanding Pollution Dynamics in P2P File Sharing Uichin Lee , Min Choi , Junghoo Cho , M. Y,cho,medy,gerla}@cs.ucla.edu, min@kaist.ac.kr ABSTRACT Pollution in P2P file sharing occurs when a large number of decoy files that pollution dynamics are closely related to user behavior. Therefore, we first conduct a human subject study

  17. Canister Transfer System Description Document

    SciTech Connect (OSTI)

    NONE

    2000-10-12T23:59:59.000Z

    The Canister Transfer System receives transportation casks containing large and small disposable canisters, unloads the canisters from the casks, stores the canisters as required, loads them into disposal containers (DCs), and prepares the empty casks for re-shipment. Cask unloading begins with cask inspection, sampling, and lid bolt removal operations. The cask lids are removed and the canisters are unloaded. Small canisters are loaded directly into a DC, or are stored until enough canisters are available to fill a DC. Large canisters are loaded directly into a DC. Transportation casks and related components are decontaminated as required, and empty casks are prepared for re-shipment. One independent, remotely operated canister transfer line is provided in the Waste Handling Building System. The canister transfer line consists of a Cask Transport System, Cask Preparation System, Canister Handling System, Disposal Container Transport System, an off-normal canister handling cell with a transfer tunnel connecting the two cells, and Control and Tracking System. The Canister Transfer System operating sequence begins with moving transportation casks to the cask preparation area with the Cask Transport System. The Cask Preparation System prepares the cask for unloading and consists of cask preparation manipulator, cask inspection and sampling equipment, and decontamination equipment. The Canister Handling System unloads the canister(s) and places them into a DC. Handling equipment consists of a bridge crane/hoist, DC loading manipulator, lifting fixtures, and small canister staging racks. Once the cask has been unloaded, the Cask Preparation System decontaminates the cask exterior and returns it to the Carrier/Cask Handling System via the Cask Transport System. After the DC is fully loaded, the Disposal Container Transport System moves the DC to the Disposal Container Handling System for welding. To handle off-normal canisters, a separate off-normal canister handling cell is located adjacent to the canister transfer cell and is interconnected to the transfer cell by means of the off-normal canister transfer tunnel. All canister transfer operations are controlled by the Control and Tracking System. The system interfaces with the Carrier/Cask Handling System for incoming and outgoing transportation casks. The system also interfaces with the Disposal Container Handling System, which prepares the DC for loading and subsequently seals the loaded DC. The system support interfaces are the Waste Handling Building System and other internal Waste Handling Building (WHB) support systems.

  18. CANISTER TRANSFER SYSTEM DESCRIPTION DOCUMENT

    SciTech Connect (OSTI)

    B. Gorpani

    2000-06-23T23:59:59.000Z

    The Canister Transfer System receives transportation casks containing large and small disposable canisters, unloads the canisters from the casks, stores the canisters as required, loads them into disposal containers (DCs), and prepares the empty casks for re-shipment. Cask unloading begins with cask inspection, sampling, and lid bolt removal operations. The cask lids are removed and the canisters are unloaded. Small canisters are loaded directly into a DC, or are stored until enough canisters are available to fill a DC. Large canisters are loaded directly into a DC. Transportation casks and related components are decontaminated as required, and empty casks are prepared for re-shipment. One independent, remotely operated canister transfer line is provided in the Waste Handling Building System. The canister transfer line consists of a Cask Transport System, Cask Preparation System, Canister Handling System, Disposal Container Transport System, an off-normal canister handling cell with a transfer tunnel connecting the two cells, and Control and Tracking System. The Canister Transfer System operating sequence begins with moving transportation casks to the cask preparation area with the Cask Transport System. The Cask Preparation System prepares the cask for unloading and consists of cask preparation manipulator, cask inspection and sampling equipment, and decontamination equipment. The Canister Handling System unloads the canister(s) and places them into a DC. Handling equipment consists of a bridge crane hoist, DC loading manipulator, lifting fixtures, and small canister staging racks. Once the cask has been unloaded, the Cask Preparation System decontaminates the cask exterior and returns it to the Carrier/Cask Handling System via the Cask Transport System. After the DC is fully loaded, the Disposal Container Transport System moves the DC to the Disposal Container Handling System for welding. To handle off-normal canisters, a separate off-normal canister handling cell is located adjacent to the canister transfer cell and is interconnected to the transfer cell by means of the off-normal canister transfer tunnel. All canister transfer operations are controlled by the Control and Tracking System. The system interfaces with the Carrier/Cask Handling System for incoming and outgoing transportation casks. The system also interfaces with the Disposal Container Handling System, which prepares the DC for loading and subsequently seals the loaded DC. The system support interfaces are the Waste Handling Building System and other internal Waste Handling Building (WHB) support systems.

  19. Release strategies for making transferable semiconductor structures, devices and device components

    DOE Patents [OSTI]

    Rogers, John A. (Champaign, IL); Nuzzo, Ralph G. (Champaign, IL); Meitl, Matthew (Raleigh, NC); Ko, Heung Cho (Urbana, IL); Yoon, Jongseung (Urbana, IL); Menard, Etienne (Durham, NC); Baca, Alfred J. (Urbana, IL)

    2011-04-26T23:59:59.000Z

    Provided are methods for making a device or device component by providing a multilayer structure having a plurality of functional layers and a plurality of release layers and releasing the functional layers from the multilayer structure by separating one or more of the release layers to generate a plurality of transferable structures. The transferable structures are printed onto a device substrate or device component supported by a device substrate. The methods and systems provide means for making high-quality and low-cost photovoltaic devices, transferable semiconductor structures, (opto-)electronic devices and device components.

  20. Doping suppression and mobility enhancement of graphene transistors fabricated using an adhesion promoting dry transfer process

    SciTech Connect (OSTI)

    Cheol Shin, Woo; Hun Mun, Jeong; Yong Kim, Taek; Choi, Sung-Yool; Jin Cho, Byung, E-mail: bjcho@kaist.edu, E-mail: tskim1@kaist.ac.kr [Department of Electrical Engineering, Graphene Research Center, KAIST, 373-1 Guseong-dong, Yuseong-gu, Daejeon 305-701 (Korea, Republic of); Yoon, Taeshik; Kim, Taek-Soo, E-mail: bjcho@kaist.edu, E-mail: tskim1@kaist.ac.kr [Department of Mechanical Engineering, Graphene Research Center, KAIST, 373-1 Guseong-dong, Yuseong-gu, Daejeon 305-701 (Korea, Republic of)] [Department of Mechanical Engineering, Graphene Research Center, KAIST, 373-1 Guseong-dong, Yuseong-gu, Daejeon 305-701 (Korea, Republic of)

    2013-12-09T23:59:59.000Z

    We present the facile dry transfer of graphene synthesized via chemical vapor deposition on copper film to a functional device substrate. High quality uniform dry transfer of graphene to oxidized silicon substrate was achieved by exploiting the beneficial features of a poly(4-vinylphenol) adhesive layer involving a strong adhesion energy to graphene and negligible influence on the electronic and structural properties of graphene. The graphene field effect transistors (FETs) fabricated using the dry transfer process exhibit excellent electrical performance in terms of high FET mobility and low intrinsic doping level, which proves the feasibility of our approach in graphene-based nanoelectronics.