Relevant bibliographies by topics / Electron energy transfer rates

Academic literature on the topic 'Electron energy transfer rates'

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Published: 4 June 2021
Last updated: 11 February 2022

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Journal articles on the topic "Electron energy transfer rates"

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Pavlov, A. V. "New electron energy transfer and cooling rates by excitation of O2." Annales Geophysicae 16, no. 8 (August 31, 1998): 1007–13. http://dx.doi.org/10.1007/s00585-998-1007-8.

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Abstract. In this work I present the results of a study of the electron cooling rate, the production rates of vibrationally excited O2, and the production frequency of the O2 vibrational quanta arising from the collisions of electrons with O2 molecules as functions of the electron temperature. The electron energy transfer and cooling rates by vibrational excitation of O2 have been calculated and fitted to analytical expressions by use of the revised vibrationally excited O2 cross sections. These new analytical expressions are available to the researcher for quick reference and accurate computer modeling with a minimum of calculations. It is also shown that the currently accepted rate of electron energy loss associated with rotational transitions in O2 must be decreased by a factor of 13.
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Jones, D. B., L. Campbell, M. J. Bottema, and M. J. Brunger. "New electron-energy transfer rates for vibrational excitation of O2." New Journal of Physics 5 (September 25, 2003): 114. http://dx.doi.org/10.1088/1367-2630/5/1/114.

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Tachiya, M., and A. V. Barzykin. "Energy gap law for electron transfer rates in polymer glasses." Chemical Physics 319, no. 1-3 (December 2005): 222–25. http://dx.doi.org/10.1016/j.chemphys.2005.03.036.

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Pavlov, A. V. "New electron energy transfer rates for vibrational excitation of N." Annales Geophysicae 16, no. 2 (1998): 176. http://dx.doi.org/10.1007/s005850050591.

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Skourtis, Spiros S., Chaoren Liu, Panayiotis Antoniou, Aaron M. Virshup, and David N. Beratan. "Dexter energy transfer pathways." Proceedings of the National Academy of Sciences 113, no. 29 (July 5, 2016): 8115–20. http://dx.doi.org/10.1073/pnas.1517189113.

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Energy transfer with an associated spin change of the donor and acceptor, Dexter energy transfer, is critically important in solar energy harvesting assemblies, damage protection schemes of photobiology, and organometallic opto-electronic materials. Dexter transfer between chemically linked donors and acceptors is bridge mediated, presenting an enticing analogy with bridge-mediated electron and hole transfer. However, Dexter coupling pathways must convey both an electron and a hole from donor to acceptor, and this adds considerable richness to the mediation process. We dissect the bridge-mediated Dexter coupling mechanisms and formulate a theory for triplet energy transfer coupling pathways. Virtual donor–acceptor charge-transfer exciton intermediates dominate at shorter distances or higher tunneling energy gaps, whereas virtual intermediates with an electron and a hole both on the bridge (virtual bridge excitons) dominate for longer distances or lower energy gaps. The effects of virtual bridge excitons were neglected in earlier treatments. The two-particle pathway framework developed here shows how Dexter energy-transfer rates depend on donor, bridge, and acceptor energetics, as well as on orbital symmetry and quantum interference among pathways.
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Fox, L. S., M. Kozik, J. R. Winkler, and H. B. Gray. "Gaussian Free-Energy Dependence of Electron-Transfer Rates in Iridium Complexes." Science 247, no. 4946 (March 2, 1990): 1069–71. http://dx.doi.org/10.1126/science.247.4946.1069.

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Pavlov, A. V. "New electron energy transfer and cooling rates by excitation of O." Annales Geophysicae 16, no. 8 (1998): 1007. http://dx.doi.org/10.1007/s005850050670.

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Closs, Gerhard L., Piotr Piotrowiak, Jean M. MacInnis, and Graham R. Fleming. "Determination of long-distance intramolecular triplet energy-transfer rates. Quantitative comparison with electron transfer." Journal of the American Chemical Society 110, no. 8 (April 1988): 2652–53. http://dx.doi.org/10.1021/ja00216a051.

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Fisher, T. S., and D. G. Walker. "Thermal and Electrical Energy Transport and Conversion in Nanoscale Electron Field Emission Processes." Journal of Heat Transfer 124, no. 5 (September 11, 2002): 954–62. http://dx.doi.org/10.1115/1.1494091.

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This paper considers the theory of electron field emission from nanoscale emitters with particular focus on thermal and electrical energy transport. The foundational theory of field emission is explored, and a model is presented that accounts explicitly for the energy band curvature produced by nanoscale tip emitters. The results indicate that the inclusion of band curvature strongly influences the energetic distribution of electrons for emitter radii less than 50 nm. The energy exchange process between emitted and replacement electrons is shown to allow high local energy transfer rates that can be exploited in direct thermal-to-electrical energy conversion processes. The dependence of energy conversion rates on material and operational parameters is demonstrated. Throughout the paper, opportunities for further research involving nanoscale heat transfer, materials development, and modeling are highlighted.
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Gray, Harry B., and Jay R. Winkler. "Electron tunneling through proteins." Quarterly Reviews of Biophysics 36, no. 3 (August 2003): 341–72. http://dx.doi.org/10.1017/s0033583503003913.

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1. History 3422. Activation barriers 3432.1 Redox potentials 3442.2 Reorganization energy 3443. Electronic coupling 3454. Ru-modified proteins 3484.1 Reorganization energy 3494.1.1 Cyt c 3494.1.2 Azurin 3504.2 Tunneling timetables 3525. Multistep tunneling 3576. Protein–protein reactions 3596.1 Hemoglobin (Hb) hybrids 3596.2 Cyt c/cyt b5 complexes 3606.3 Cyt c/cyt c peroxidase complexes 3606.4 Zn–cyt c/Fe–cyt c crystals 3617. Photosynthesis and respiration 3627.1 Photosynthetic reaction centers (PRCs) 3627.2 Cyt c oxidase (CcO) 3648. Concluding remarks 3659. Acknowledgments 36610. References 366Electron transfer processes are vital elements of energy transduction pathways in living cells. More than a half century of research has produced a remarkably detailed understanding of the factors that regulate these ‘currents of life’. We review investigations of Ru-modified proteins that have delineated the distance- and driving-force dependences of intra-protein electron-transfer rates. We also discuss electron transfer across protein–protein interfaces that has been probed both in solution and in structurally characterized crystals. It is now clear that electrons tunnel between sites in biological redox chains, and that protein structures tune thermodynamic properties and electronic coupling interactions to facilitate these reactions. Our work has produced an experimentally validated timetable for electron tunneling across specified distances in proteins. Many electron tunneling rates in cytochrome c oxidase and photosynthetic reaction centers agree well with timetable predictions, indicating that the natural reactions are highly optimized, both in terms of thermodynamics and electronic coupling. The rates of some reactions, however, significantly exceed timetable predictions; it is likely that multistep tunneling is responsible for these anomalously rapid charge transfer events.
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Dissertations / Theses on the topic "Electron energy transfer rates"

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Thorn, Penny Anne, and penny thorn@flinders edu au. "Electronic State Excitations in the Water Molecule by Collisions with Low Energy Electrons." Flinders University. Chemistry, Physics and Earth Sciences, 2008. http://catalogue.flinders.edu.au./local/adt/public/adt-SFU20080714.112505.

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The present study was largely concerned with measuring accurate absolute values for the electronic state excitation cross sections in H2O, in the incident electron energy range 15eV to 50eV. It is hoped that these data will eventually help to improve the current state of electron - molecule scattering theory, as well as being useful in various fields of modelling. As an illustration of this latter point, the cross sections determined here were used to calculate quantities of importance in atmospheric modelling, namely, electron energy transfer rates and rates for the excitation of water molecules by auroral secondary electrons.
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Psalti, Ioanna S. M. "Microelectrodes : single and arrays in electron transfer." Thesis, University of Oxford, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.302826.

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Joseph, Daphne Melissa Thow. "Energy and electron transfer in Photosystem Two." Thesis, Imperial College London, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.362720.

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Moore, Evan Guy. "A macrocyclic scaffold for electronic energy transfer and photoinduced electron transfer /." St. Lucia, Qld, 2004. http://www.library.uq.edu.au/pdfserve.php?image=thesisabs/absthe17983.pdf.

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Armitage, Bruce Alan. "Photoinduced electron transfer, energy transfer and polymerization reactions in phospholipid membranes." Diss., The University of Arizona, 1993. http://hdl.handle.net/10150/186212.

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The differential physical properties found at different depths of a phospholipid membrane permit design of systems for vectorial reactions (which are not possible in isotropic solution). In the system described in Chapter IV, a hydrophobic electron donor (triphenylbenzylborate) binds to the membrane interior while a hydrophilic electron acceptor (a cyanine dye) binds to the surface. Irradiation with red light leads to vectorial electron flow via photoinduced electron transfer (PET), as monitored by fluorescence quenching and photobleaching techniques. The PET reaction efficiency is enhanced over the case where the donor and acceptor are present in water without membranes. In that case, strong dimeric complexes are formed which reduce the efficiency of PET by enhancing nonradiative decay modes for the dye (Chapter III). Addition of a porphyrin to the membrane surface extends the sensitivity of the system to blue light (Chapter V). Excitation of the porphyrin at 417 nm and subsequent energy transfer to the cyanine trigger the same PET chemistry observed with red-light irradiation. Furthermore, the electron- and energy-transfer reactions are enhanced on polymerized, phase-separated membranes (Chapter VI). In these applications, membranes are media for chemical reactions. Membranes also make interesting substrates for chemical reactions, in this case, polymerization. A system consisting of a membrane-bound, amphiphilic cyanine dye and molecular oxygen is described in Chapter VII which effectively initiates the polymerization of vesicles upon irradiation with visible light. Potential utility in drug delivery applications is discussed.
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Wilson, Graham John. "Energy transfer in gases and cryogenic liquids." Thesis, University of Oxford, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.239254.

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Cook, Shaun. "Electron transfer rates at a metal, a semiconductor and a semimetal." Thesis, University of Newcastle upon Tyne, 2013. http://hdl.handle.net/10443/2082.

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Electrochemical kinetic measurements were made on viologens in acetonitrile and ferrocene moieties bound to n-type silicon. A collection of hitherto unreported rate constants were obtained, and novel approaches to analysing electrochemical data proposed and demonstrated. Full abstract available online.
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Tobin, Peter H. "Engineering Pseudomonas aeruginosa Azurin for Energy and Electron Transfer." Thesis, Yale University, 2015. http://pqdtopen.proquest.com/#viewpdf?dispub=3663592.

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Electron transfer (EleT) and energy transfer (EngT) are common fundamental processes in life, and increasingly in materials engineering. Proteins involved in several life-critical processes including reaction centers in photosynthesis and photolyases in DNA repair have evolved protein matrixes with sophisticated temporal and spatial control of EleT and EngT. The ability to rationally design a protein matrix for EleT and/or EngT has not yet been fully realized, but would yield many benefits across bioenergetics, bioelectronics and biomedical engineering.

Pseudomonas aeruginosa azurin has been an important model system for investigating fundamental EleT in proteins. Early pioneering studies used ruthenium photosensitizers to induce EleT in azurin and this experimental data continues to be used to develop theories for EleT mediated through a protein matrix. In this dissertation it is shown that putative EleT rates in the P. aeruginosa azurin model system, measured via photoinduced methods, can also be explained by an alternate EngT mechanism. Investigation of EngT in azurin, conducted in this study, isolates and resolves confounding phenomena—i.e., zinc contamination and excited state emission—that can lead to erroneous kinetic assignments. Extensive metal analysis, in addition to electrochemical and photochemical (photoinduced transfer) measurements suggests Zn-metallated azurin contamination can result in a biexponential reaction, which can be mistaken for EleT. Namely, upon photoinduction, the observed slow phase is exclusively the contribution from Zn-metallated azurin, not EleT; whereas, the fast phase is the result of EngT between the photosensitizer and the Cu-site, rather than simple excited state decay of the phototrigger.

In order to circumvent the previously described problems with photoinduced measurements of EleT an orthogonal glassy carbon electrode based protein film voltammetry method was developed for measuring EleT rates in azurin. Finally, Computational Protein Design was utilized to modulate intramolecular EleT and EngT rates by engineering the residue composition in the core of azurin without perturbing the donor and acceptor sites.

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Vancea, Anisoara. "Energy and electron transfer on titania-silica binary oxides." Thesis, Loughborough University, 2013. https://dspace.lboro.ac.uk/2134/12152.

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Steady state reflectance and emission characteristics of anthracene adsorbed on silica gel and titania-silica mixed oxides have been investigated as a function of sample loading. Titania-silica mixed oxides with 1, 3, 5 and 10 wt. % TiO2 were prepared by two different methods: a dropwise method and a sol-gel route. Ground state diffuse reflectance and fluorescence emission spectra of anthracene adsorbed on titania-silica surfaces show a dependence on titania content. The absorption peaks of anthracene are difficult to resolve at higher titania content due to the increasing red-shift of the titania absorption edge. The absorption edge of titania is shifted to longer wavelengths and the band gap energy decreases with increasing the titania loading. Diffuse reflectance laser flash photolysis at 355 nm produces both the triplet and radical cation of anthracene and gives relevant information regarding the photochemical transients and the kinetics details of the surface photochemical processes. Energy dependence studies confirm the monophotonic nature of the triplet production, whereas the anthracene radical cation is formed by monophoton or multiphoton ionisation in the mixed titania-silica systems. Energy and electron transfer reactions of anthracene co-adsorbed with azulene as electron donor on silica sol-gel and titania-silica mixed oxides prepared by the sol-gel method with different titania content have been studied using the time-resolved diffuse reflectance laser flash photolysis technique. The fluorescence of excited anthracene adsorbed on silica sol-gel is quenched by the addition of azulene, while co-adsorption of azulene on titania-silica mixed oxides resulted in a decrease in the fluorescence intensity of the adsorbed anthracene due to the formation, at the same time, of anthracene radical cation and Ti3+ species on the titania-silica surface. Triplet-triplet energy transfer from the excited anthracene to ground state azulene and electron transfer from azulene to the anthracene radical cation have been investigated using a time-resolved diffuse reflectance laser flash photolysis technique following laser excitation at 355 nm. Bimolecular rate constants for energy and electron transfer between anthracene and azulene have been obtained. Kinetic analysis of the decay of the anthracene triplet state and radical cation show that the kinetic parameters depend on the titania content of the sample and the azulene concentration. This indicates that the rate of energy and electron transfer reactions increases as a function of azulene concentration and decreases with increasing titania content in titania-silica mixed oxides, whereas the observed rate of reaction on silica sol-gel is predominantly governed by the rate of diffusion of azulene. Electron transfer reactions in a ternary system using azulene for hole transfer between 9-anthracenecarboxylic acid radical cation as electron acceptor and perylene as electron donor were also studied in order to demonstrate the mobility of radical cations on the silica sol-gel and titania-silica surfaces. The co-adsorption of azulene as a molecule shuttle with 9-anthracenecarboxylic acid and perylene on both silica sol-gel and titania-silica systems has been shown to enhance the rate of electron transfer in this ternary system. Activation energies for energy and electron transfer on photoinduced bimolecular and termolecular processes on silica sol-gel and titania-silica mixed oxides have been measured. In bimolecular anthracene / azulene systems, at higher azulene loadings, the activation energies and the pre-exponential factors on titania-silica surfaces are the same for both energy and electron transfer and are comparable with the parameters extracted for azulene diffusion on silica Davisil suggesting that azulene diffuses across the silica Davisil and titania-silica mixed oxides surfaces, while at lower azulene loadings, ion-electron recombination dominates and the activation energy extracted is for this process. In a ternary 9-anthracenecarboxylic acid / azulene / perylene system, the activation energy for perylene diffusion is higher than that observed for the anthracene / azulene system, reflecting the lower mobility of the perylene molecule. In this study, a series of titania-silica samples with different loadings of titania (1 10 wt. %) prepared by the sol-gel method and also the pure TiO2 P25 Degussa have been used to study the photocatalytic degradation of 4-chlorophenol in aqueous solution under UV light irradiation. The absorption peak of 4-chlorophenol at 280 nm decreases with increasing titania content and finally disappeared suggesting that titania has a positive influence on the degradation of 4-chlorophenol. The investigated titania-silica mixed oxides prepared by the sol-gel method are less efficient photocatalysts for the degradation of 4-chlorophenol than TiO2 P25.
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Rostron, James P. "Electron and energy transfer in closely-spaced molecular dyads." Thesis, University of Newcastle Upon Tyne, 2005. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.423720.

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Books on the topic "Electron energy transfer rates"

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Govindjee, J. Barber, W. A. Cramer, J. H. C. Goedheer, J. Lavorel, R. Marcelle, and Barbara A. Zilinskas, eds. Excitation Energy and Electron Transfer in Photosynthesis. Dordrecht: Springer Netherlands, 1987. http://dx.doi.org/10.1007/978-94-009-3527-3.

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Yamada Conference on Dynamics and Mechanisms of Photoinduced Electron Transfer and Related Phenomena (1991 Senri Nyū Taun, Japan). Dynamics and mechanisms of photoinduced electron transfer and related phenomena: Proceedings of the Yamada Conference XXIX on Dynamics and Mechanisms of Photoinduced Electron Transfer and Related Phenomena, Senri, Osaka, Japan, May 12-16, 1991. Amsterdam: North-Holland, 1992.

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Andreo, P. Tables of charge and energy deposition distributions in elemental materials irradiated by plane-parallel electron beams with energies between 0.1 and 100 MeV. Osaka, Japan: Research Institute for Advanced Science and Technology, University of Osaka Prefecture (1-2 Gakuen-cho, Sakai, Osaka 593, Japan), 1992.

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Kinsella, Michael Francis John. Charge transfer in the coadsorption of potassium and simple molecules on graphite studied by electron energy loss spectroscopy. Birmingham: University of Birmingham, 1997.

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Liu, Guo-jun. Energy and electron transfer in macromolecules. 1989.

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1933-, Govindjee, Govindjee 1933-, and Butler Warren L. 1925-1984, eds. Excitation energy and electron transfer in photosynthesis. Dordrecht: M. Nijhoff, 1987.

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Kapinus, E. I. Energy, Charge and Electron Transfer Processes in Chemistry. PH "Akademperiodyka", 2016. http://dx.doi.org/10.15407/akademperiodyka.322.135.

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Molecular bioenergetics: Simulations of electron, proton, and energy transfer. Washington, DC: American Chemical Society, 2004.

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Chattoraj, Mita. Intramolecular electron and energy transfer in a molecular beam. 1992.

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C, Papageorgiou George, Barber J. 1940-, Papa S, Unesco. European Expert Committee on Biomaterials and Biotechnology. Working Group IV., and Kentron Pyrēnikōn Ereunōn Dēmokritos, eds. Ion interactions in energy transfer biomembranes. New York: Plenum Press, 1986.

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Book chapters on the topic "Electron energy transfer rates"

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Miller, J. "Effects of Distance, Energy and Molecular Structure on Electron Transfer Rates." In Proceedings in Life Sciences, 329–38. New York, NY: Springer New York, 1987. http://dx.doi.org/10.1007/978-1-4612-4796-8_19.

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Murakami, Hiroumi, Yutaka Shibata, Hiroyuki Mino, and Shigeru Itoh. "−ΔG and Temperature Dependencies of the Electron Transfer Rates Between P700+ and A1 − or FeS− in Photosystem I Containing Different Quinones." In Photosynthesis. Energy from the Sun, 635–38. Dordrecht: Springer Netherlands, 2008. http://dx.doi.org/10.1007/978-1-4020-6709-9_143.

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Nishioka, Hirotaka, Akihiro Kimura, Takahisa Yamato, and Toshiaki Kakitani. "Non-Condon Theory for the Energy Gap Dependence of Electron Transfer Rate." In Frontiers of Computational Science, 293–97. Berlin, Heidelberg: Springer Berlin Heidelberg, 2007. http://dx.doi.org/10.1007/978-3-540-46375-7_44.

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Ortega, J. M., X. Lin, J. C. Williams, J. P. Allen, and P. Mathis. "Electron Transfer from QA − to P+: Effects of ΔG° and Temperature on Rate and Reorganization Energy." In Photosynthesis: from Light to Biosphere, 547–50. Dordrecht: Springer Netherlands, 1995. http://dx.doi.org/10.1007/978-94-009-0173-5_127.

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Paddon-Row, Michael N. "Electron and Energy Transfer." In Stimulating Concepts in Chemistry, 267–91. Weinheim, FRG: Wiley-VCH Verlag GmbH & Co. KGaA, 2005. http://dx.doi.org/10.1002/3527605746.ch18.

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Jennings, Robert C., Roberto Bassi, and Giuseppe Zucchelli. "Antenna structure and energy transfer in higher plant photosystems." In Electron Transfer II, 147–81. Berlin, Heidelberg: Springer Berlin Heidelberg, 1996. http://dx.doi.org/10.1007/3-540-60110-4_5.

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Albini, A., and E. Fasani. "Aromatics as Electron Transfer Sensitizers." In Photochemical Conversion and Storage of Solar Energy, 89–101. Dordrecht: Springer Netherlands, 1991. http://dx.doi.org/10.1007/978-94-011-3396-8_6.

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Meisel, Dan. "Electron Transfer in Heterogeneous Systems." In Photochemical Conversion and Storage of Solar Energy, 15–26. Dordrecht: Springer Netherlands, 1991. http://dx.doi.org/10.1007/978-94-011-3396-8_2.

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Cramer, William A., and David B. Knaff. "Oxidation—Reduction; Electron and Proton Transfer." In Energy Transduction in Biological Membranes, 35–77. New York, NY: Springer New York, 1990. http://dx.doi.org/10.1007/978-1-4612-3220-9_2.

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Ceroni, Paola, and Vincenzo Balzani. "Photoinduced Energy and Electron Transfer Processes." In Lecture Notes in Chemistry, 21–38. Dordrecht: Springer Netherlands, 2011. http://dx.doi.org/10.1007/978-94-007-2042-8_2.

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Conference papers on the topic "Electron energy transfer rates"

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Pop, Eric, Sanjiv Sinha, and Kenneth E. Goodson. "Monte Carlo Modeling of Heat Generation in Electronic Nanostructures." In ASME 2002 International Mechanical Engineering Congress and Exposition. ASMEDC, 2002. http://dx.doi.org/10.1115/imece2002-32124.

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This work develops a Monte Carlo (MC) simulation method for calculating the heat generation rate in electronic nanostructures. Electrons accelerated by the electric field scatter strongly with optical phonons, yet heat transport in silicon occurs via the faster acoustic modes. The MC method incorporates the appropriate energy transfer rates from electrons to each phonon branch. This accounts for the non-equilibrium energy exchange between the electrons and phonon branches. Using the MC method with an electron energy-dependent scattering rate intrinsically accounts for the non-locality of the heat transfer near a strongly peaked electric field. This approach provides more information about electronically generated heat at nanoscale dimensions compared to traditional macroscopic field-dependent methods. The method has applications in any region of high spatial or temporal non-equilibrium between electrons and phonons, and particularly facilitates careful microscopic analysis of heating in a nanoscale transistor.
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Westover, Tyler L., Aaron D. Franklin, Timothy S. Fisher, and Ronald G. Reifenberger. "Photo- and Thermionic Emission From Potassium-Intercalated Single-Walled Carbon Nanotube Arrays." In ASME 2008 3rd Energy Nanotechnology International Conference collocated with the Heat Transfer, Fluids Engineering, and Energy Sustainability Conferences. ASMEDC, 2008. http://dx.doi.org/10.1115/enic2008-53034.

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Vacuum thermionic electron emission has been considered for many years as a means to convert heat or solar energy directly into electrical power. However, an emitter material has not yet been identified that has a sufficiently low work function and that is stable at the elevated temperatures required for thermionic emission. Recent theoretical models predict that photonic and thermal excitation can combine to significantly increase overall efficiency and power generation capacity beyond that which is possible with thermionic emission alone. Carbon nanotubes (CNTs) intercalated with potassium have demonstrated work functions as low as 2.0 eV, and low electron scattering rates observed in small diameter CNTs offer the possibility of efficient photoemission. This study uses a Nd:YAG laser to irradiate potassium-intercalated single-walled CNTs (K/SWCNTs), and the resultant energy distributions of photo- and thermionic emitted electrons are measured using a hemispherical electron energy analyzer for a wide range of temperatures. We observe that the work function of K/SWCNTs is temperature dependent and has a minimum of approximately 2.0 eV at approximately 600 K. At temperatures above 600 K, the measured work function K/SWCNTs increases with temperature, presumably due to deintercalation of potassium atoms.
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Tachiya, M., and Maria Hilczer. "Solvent effect on the electron transfer rate and the energy gap law." In Ultrafast reaction dynamics and solvent effects. AIP, 1994. http://dx.doi.org/10.1063/1.45399.

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Pop, Eric, Sanjiv Sinha, and Kenneth E. Goodson. "Detailed Phonon Generation Simulations via the Monte Carlo Method." In ASME 2003 Heat Transfer Summer Conference. ASMEDC, 2003. http://dx.doi.org/10.1115/ht2003-47312.

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Modeling heat generation at nanometer scales in silicon is of great interest and particularly relevant to the heating and reliability of nanoscale and thin-film transistors. Joule heating is usually simulated as the dot product of the macroscopic electric field and current density [1]. This approach does not account for the microscopic non-locality of the phonon emission near a strongly peaked electric field region. It also does not differentiate between electron energy exchange with the various phonon branches and does not give any information regarding the types of phonons emitted. The present work addresses both of these issues: we use a detailed Monte Carlo (MC) simulation to compute sub-continuum and phonon mode-specific heat generation rates, with applications at nanometer length scales.
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Kazemiabnavi, Saeed, Prashanta Dutta, and Soumik Banerjee. "Ab Initio Modeling of the Electron Transfer Reaction Rate at the Electrode-Electrolyte Interface in Lithium-Air Batteries." In ASME 2014 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2014. http://dx.doi.org/10.1115/imece2014-40239.

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Lithium-air batteries are very promising energy storage systems for meeting current demands in electric vehicles. However, the performance of these batteries is highly dependent on the electrochemical stability and physicochemical properties of the electrolyte such as ionic conductivity, vapor pressure, static and optical dielectric constant, and ability to dissolve oxygen and lithium peroxide. Room temperature ionic liquids, which have high electrical conductivity, wide electrochemical stability window and also low vapor pressure, are considered potential electrolytes for these batteries. Moreover, since the physicochemical and electrochemical properties of ionic liquids are dependent on the structure of their constitutive cations and anions, it is possible to tune these properties by choosing from various combinations of cations and anions. One of the important factors on the performance of lithium-air batteries is the local current density. The current density on each electrode can be obtained by calculating the rate constant of the electron transfer reactions at the surface of the electrode. In lithium-air batteries, the oxidation of pure lithium metal into lithium ions happens at the anode. In this study, Marcus theory formulation was used to calculate the rate constant of the electron transfer reaction in the anode side using the respective thermodynamics data. The Nelsen’s four-point method of separating oxidants and reductants was used to evaluate the inner-sphere reorganization energy. In addition, the Conductor-like Screening Model (COSMO) which is an approach to dielectric screening in solvents has been implemented to investigate the effect of solvent on these reaction rates. All calculations were done using Density Functional Theory (DFT) at B3LYP level of theory with a high level 6-311++G** basis set which is a Valence Triple Zeta basis set with polarization and diffuse on all atoms (VTZPD) that gives excellent reproducibility of energies. Using this methodology, the electron transfer rate constant for the oxidation of lithium in the anode side was calculated in an ionic liquids electrolyte. Our results present a novel approach for choosing the most appropriate electrolyte(s) that results in enhanced current densities in these batteries.
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Bao, Hua, Xiulin Ruan, Bradley F. Habenicht, and Oleg V. Prezhdo. "Temperature Dependence of Hot Carrier Relaxation in a PBSE Quantum Dot: An Ab Initio Study." In ASME 2009 Heat Transfer Summer Conference collocated with the InterPACK09 and 3rd Energy Sustainability Conferences. ASMEDC, 2009. http://dx.doi.org/10.1115/ht2009-88134.

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Temperature dependent dynamics of phonon-assisted relaxation of hot carriers, both electrons and holes, is studied in a PbSe quantum dot using ab initio time-domain density functional theory. The electronic structure is first calculated, showing that the hole states are denser than the electron states. Fourier transforms of the time resolved energy levels show that the hot carriers couple to both acoustic and optical phonons. At higher temperature, more phonon modes in the high frequency range participate in the relaxation process due to their increased occupation number. The phonon-assisted hot carrier decay dynamics is predicted using non-adiabatic molecular dynamics, and the calculated relaxation rates clearly show a temperature-activation behavior. The complex temperature dependence is attributed to the combined effects of the phonon occupation number and thermal expansion. Comparing the simulation results with experiments, we suggest that the multiphonon relaxation channel is efficient at high temperature, while the Auger-like process may dominate the relaxation at low temperature. This combined mechanism can explain the weak temperature dependence at low temperature and stronger temperature dependence at higher temperature.
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Sim, Hyung Sub, Seong Hyuk Lee, Seungho Park, Young Ki Choi, and Joon Sik Lee. "Femtosecond Laser Pulse Train Effects on Optical Characteristics and Nonequilibrium Energy Transport in Metal Thin Films Considering Quantum Effects." In 2007 First International Conference on Integration and Commercialization of Micro and Nanosystems. ASMEDC, 2007. http://dx.doi.org/10.1115/mnc2007-21420.

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The objective of this study is to investigate numerically the electron-phonon interactions and the nonequilibrium energy transfer in metal thin films irradiated by ultrashort pulse train lasers. During laser irradiation, in particular, the temporal and spatial variations of optical properties are discussed and the influence of pulse number per train and pulse separation time is also examined. The present study uses the well-established two temperature model in describing laser-solid matter interactions and it also adopts the quantum approach to determine various properties such as electron heat capacity, electron thermal conductivity, collision frequencies, reflectivity, and absorption rates. It is found that as the pulse number per train increases, the nonequilibrium state between electrons and phonons disappears gradually because of the energy relaxation and the low electron thermal conductivity. From the results, the electron-electron and electron-phonon collision frequencies are changed significantly with the pulse number per train and the separation time per pulse, and they affect considerably reflectivity and absorption rate, leading to the change of ablation mechanism of thin metal films for the pulse train laser heating.
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Ni, Chunjian, Zlatan Aksamija, Jayathi Y. Murthy, and Umberto Ravaioli. "Coupled Electro-Thermal Simulation of MOSFETs." In ASME 2009 InterPACK Conference collocated with the ASME 2009 Summer Heat Transfer Conference and the ASME 2009 3rd International Conference on Energy Sustainability. ASMEDC, 2009. http://dx.doi.org/10.1115/interpack2009-89182.

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Thermal transport in metal-oxide-semiconductor field effect transistors (MOSFETs) due to electron-phonon scattering is simulated using phonon generation rates obtained from an electron Monte Carlo device simulation. The device simulation accounts for a full band description of both electrons and phonons considering 22 types of electron-phonon scattering events. Detailed profiles of phonon emission/absorption rates in the physical and momentum spaces are generated and are used in a MOSFET thermal transport simulation with a recently-developed anisotropic relaxation time model based on the Boltzmann transport equation (BTE). Comparisons with a Fourier conduction model reveal that the anisotropic heat conduction model predicts higher maximum temperatures because it accounts for the bottlenecks in phonon scattering pathways. Heat fluxes leaving the boundaries associated with different phonon polarizations and frequencies are also examined to reveal the main modes responsible for transport. It is found that though the majority of the heat generation is in the optical modes, the heat generated in the acoustic modes is not negligible. The modes primarily responsible for the transport of heat are found to be medium-to-high frequency acoustic phonon modes.
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Abe, Ryu, Kazuhiro Sayama, and Hironori Arakawa. "Dye-Sensitized Photocatalyst System for Water Splitting Into H2 and O2 Under Visible Light Irradiation." In ASME 2004 International Solar Energy Conference. ASMEDC, 2004. http://dx.doi.org/10.1115/isec2004-65070.

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H2 production from a water-acetonitrile mixed solution containing iodide electron donor was investigated over dye-sensitized Pt/TiO2 photocatalysts under visible light irradiation, as a part of water splitting system using iodide redox mediator. The rates of H2 evolution were decreased with the increase of the water ratio in the mixed solutions, because of the decrease in energy gap between the redox potential of I3−/I− and the HOMO levels of the dyes, which lowing the efficiency of electron transfer from I− to dye.
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Clifton, Rebecca L., Carlos A. Rios Perez, Rachel Naylor, and Carlos Hidrovo. "Characterization of Ion Transport and -Sorption in a Carbon Based Porous Electrode for Desalination Purposes." In ASME 2012 10th International Conference on Nanochannels, Microchannels, and Minichannels collocated with the ASME 2012 Heat Transfer Summer Conference and the ASME 2012 Fluids Engineering Division Summer Meeting. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/icnmm2012-73183.

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New and more efficient water desalination technologies have been a topic of incipient research over the past few decades. Although much of the attention and efforts have focused on the improvement of membrane-based desalination methods such as reverse osmosis, the development of new high-surface area carbon-based-electrode materials have brought substantial interest towards capacitive deionization (CDI), a novel technique that uses electric fields to separate the ionic species from the water. Part of the new interest on CDI is its ability to store and return a fraction of the energy used in the desalination process. This characteristic is not common to other electric-field-based desalination methods such as electro-deionization (EDI) and electro-dialysis reversal (EDR) where none of the input energy is recoverable. This paper presents work conducted to analyze the energy recovery, thermodynamic efficiency, and ionic adsorption/desorption rates in a CDI cell using different salt concentration solutions and various flow-rates. Voltage and electrical current measurements are conducted during the desalination and porous electrode regeneration processes and used to evaluate the percentage of energy recovery.. Salinity measurements of the inflow and outflow stream concentrations using conductivity probes, alongside the current measurements, are used to calculate ion adsorption/desorption efficiencies. Correlation of these measurements with an analytical species transport model provides information about the net ionic adsorption/desorption rates in non-saturated-carbon-electrode scenarios. The results show a strong dependence of the net electrical energy requirements with the number of carbon electrodes regeneration cycles. Finally, a non-dimensional number that compares the convective and electro-kinetic transport times is presented. The energy requirements and adsorption/desorption rates analyses conducted for this water-desalination process could be extended to other ion-adsorption applications such as the re-process of spent nuclear fuels in a near future.
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Reports on the topic "Electron energy transfer rates"

1

Lewis, N. S. (Electron transfer rates at semiconductor/liquid interfaces). Office of Scientific and Technical Information (OSTI), January 1992. http://dx.doi.org/10.2172/7237506.

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Lewis, N. S. [Electron transfer rates at semiconductor/liquid interfaces]. Progress report. Office of Scientific and Technical Information (OSTI), August 1992. http://dx.doi.org/10.2172/10169230.

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3

Cao, Jianshu, Camilla Minichino, and Gregory A. Voth. The Computation of Electron Transfer Rates: The Nonadiabatic Instanton Solution. Fort Belvoir, VA: Defense Technical Information Center, May 1995. http://dx.doi.org/10.21236/ada294523.

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4

Tominaga, Keisuke, Gilbert C. Walker, Tai J. Kang, Paul F. Barbara, and Teresa Fonseca. Reaction Rates in the Phenomenological Adiabatic Excited State Electron Transfer Theory. Fort Belvoir, VA: Defense Technical Information Center, May 1991. http://dx.doi.org/10.21236/ada235583.

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Norton, John D., Wendy E. Benson, Henry S. White, Bradford D. Pendley, and Hector D. Abruna. Voltammetric Measurement of Bimolecular Electron-Transfer Rates in Low Ionic Strength Solutions. Fort Belvoir, VA: Defense Technical Information Center, November 1990. http://dx.doi.org/10.21236/ada229913.

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Peters, John. Biological Electron Transfer and Catalysis Energy Frontier Research Center. Office of Scientific and Technical Information (OSTI), November 2019. http://dx.doi.org/10.2172/1573243.

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Peterson, J. D. Intramolecular energy- and electron-transfer reactions in polymetallic complexes. Annual report. Office of Scientific and Technical Information (OSTI), December 1991. http://dx.doi.org/10.2172/34192.

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Bocian, David F. Fundamental studies of energy-and hole/electron- transfer in hydroporphyrin architectures. Office of Scientific and Technical Information (OSTI), August 2014. http://dx.doi.org/10.2172/1150022.

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Mukamel, Shaul. Nonlinear Ultrafast Spectroscopy of Electron and Energy Transfer in Molecule Complexes. Office of Scientific and Technical Information (OSTI), February 2006. http://dx.doi.org/10.2172/875998.

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Friesner, Richard A. Theoretical Studies of Photoactive Molecular Systems: Electron Transfer, Energy Transport and Optical Spectroscopy. Office of Scientific and Technical Information (OSTI), November 2012. http://dx.doi.org/10.2172/1378339.

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