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Dissertations / Theses on the topic 'Electron charge transfer'

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Published: 4 June 2021

Last updated: 7 February 2022

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1

Lancaster, Kelly. "Intramolecular electron transfer in mixed-valence triarylamines." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2009. http://hdl.handle.net/1853/31709.

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Thesis (Ph.D)--Chemistry and Biochemistry, Georgia Institute of Technology, 2010.<br>Committee Chair: Bredas, Jean-Luc; Committee Member: Kippelen, Bernard; Committee Member: Marder, Seth; Committee Member: Orlando, Thomas; Committee Member: Sherrill, David. Part of the SMARTech Electronic Thesis and Dissertation Collection.

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2

Li, Debin. "Exploring electron transfer in myoglobin-based transistors." Morgantown, W. Va. : [West Virginia University Libraries], 2009. http://hdl.handle.net/10450/10211.

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Thesis (Ph. D.)--West Virginia University, 2009.<br>Title from document title page. Document formatted into pages; contains xiii, 104 p. : ill. (some col.). Includes abstract. Includes bibliographical references (p. 99-104).

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3

Yoon, Kwansik. "The effect of the electrode composition on electron transfer through an electroactive monolayer." Morgantown, W. Va. : [West Virginia University Libraries], 1999. http://etd.wvu.edu/templates/showETD.cfm?recnum=771.

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Thesis (M.S.)--West Virginia University, 1999.<br>Title from document title page. Document formatted into pages; contains xi, 96 p. : ill. (some col.) Includes abstract. Includes bibliographical references.

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4

Fonari, Alexandr. "Theoretical description of charge-transport and charge-generation parameters in single-component and bimolecular charge-transfer organic semiconductors." Diss., Georgia Institute of Technology, 2015. http://hdl.handle.net/1853/54323.

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In this dissertation, we employ a number of computational methods, including Ab Initio, Density Functional Theory, and Molecular Dynamics simulations to investigate key microscopic parameters that govern charge-transport and charge-generation in single-component and bimolecular charge-transfer organic semiconductors. First, electronic (transfer integrals, bandwidths, effective masses) and electron-phonon couplings of single-component organic semiconductors are discussed. In particular, we evaluate microscopic charge-transport parameters in a series of nonlinear acenes with extended pi-conjuga

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5

Tsang, Chun-kit. "Pathway analysis on electron transfer in ruthenium modified cytochrome C." Hong Kong : University of Hong Kong, 2000. http://sunzi.lib.hku.hk:8888/cgi-bin/hkuto%5Ftoc%5Fpdf?B22718898.

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6

曾俊傑 and Chun-kit Tsang. "Pathway analysis on electron transfer in ruthenium modified cytochromeC." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2000. http://hub.hku.hk/bib/B31225226.

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7

Davies, Stephen Robert. "Synthesis and characterisation of charge transfer complexes of new electron acceptors." Thesis, Durham University, 1989. http://etheses.dur.ac.uk/6507/.

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New electron acceptors, possessing various skeletal frameworks have been prepared and characterised. Complexation with a range of metal and organic cations reveal the suitability of the electron acceptors in the field of conducting charge-transfer complexes. Unsuccessful attempts to synthesise sterically demanding TCNQ derivatives, directly from the corresponding p-benzoquinone in the presence of titanium tetrachloride, provided a convenient route to a range of mono (dicyanomethylated)alkyl-p-benzoquinones, which were converted into N,7,7-tricyanoquinomethaneimine derivatives. Semi conducting

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8

Easa, S. I. "Charge exchange process in atom-surface scattering." Thesis, University of Salford, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.376837.

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9

Herman, Leslie. "Ru(II) under illumination: a study of charge and energy transfer elementary processes." Doctoral thesis, Universite Libre de Bruxelles, 2008. http://hdl.handle.net/2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/210399.

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Une compréhension sans cesse plus pointue des processus élémentaires de transferts de charges et d’énergie, qui sont à la base même de nombreux processus biologiques, permet non seulement l’élaboration mais aussi l’amélioration de la mise au point de molécules photoactives utiles dans différentes applications. C'est le cas (i) de systèmes moléculaires et supramoléculaires destinés à mimer efficacement la photosynthèse, ou encore (ii) de molécules photoactives capables d’interagir avec des macromolécules biologiques et d’induire une transformation de ces biomolécules. C’est dans ce cadre généra

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10

Xiao, Wu. "Synthesis and characterization of molecules for electron transfer research." Thesis, University of North Texas, 2000. https://digital.library.unt.edu/ark:/67531/metadc2683/.

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Dimethoxynaphthalene (donor) and quinone (acceptor) have been chosen as a suitable redox pair and are bonded to either permethylated silane chains or corresponding permethylated alkyl chains to form Acceptor-(Bridge)-Donor molecules. The idea that the s-delocalization phenomenon of silane chains may greatly facilitate ET reactions will be tested. The starting material for the donor precursor, 4-(1,4-dimethoxynaphthyl)bromocyclohexane, was 1,4-naphthoquinone. After methylation and bromination, the Grignard reagent of the resulting bromide was reacted with cyclohexanedione, mono ethylene ketal.

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11

Bodenstedt, Kurt. "Synthesis and Electron Transfer Studies of Supramolecular Triads." Thesis, University of North Texas, 2016. https://digital.library.unt.edu/ark:/67531/metadc849639/.

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This study expands the role of polythiophenes as an electron donating chromophore within energy harvesting milti-modular donor-acceptor systems. The polythiophene moiety would act as an electron donating spacer group between the donor and acceptor entities, viz., phenothiazine and fulleropyrrolidine, respectively, in the newly synthesized supramolecular triads. The triads 10-{[2,2';5',2"] terthiophene-5-fulleropyrrolidine} phenothiazine and 10-{[2,2'] bithiophene-5-fulleropyrrolidine} phenothiazine were synthesized and characterized through electrochemical and spectroscopic methods to ascertai

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12

唐素明 and So-ming Glenna Tong. "Theoretical studies of transition metal containing diatomics and DNA electron transfer." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2002. http://hub.hku.hk/bib/B31244828.

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13

Jackman, M. P. "Kinetics of electron transfer in some metalloproteins and their Ru-modified derivatives." Thesis, University of Newcastle Upon Tyne, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.379765.

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14

Sun, Xiao-Jing. "The extent and importance of single electron transfers in organic reactions." Diss., Georgia Institute of Technology, 1993. http://hdl.handle.net/1853/27981.

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15

Cooper, Ian Blake. "Photosynthetic water oxidation and proton-coupled electron transfer." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2008. http://hdl.handle.net/1853/26707.

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Thesis (Ph. D.)--Chemistry and Biochemistry, Georgia Institute of Technology, 2009.<br>Committee Chair: Bridgette Barry; Committee Member: El-Sayed, Mostafa; Committee Member: Fahrni, Christoph; Committee Member: Kröger, Nils; Committee Member: McCarty, Nael. Part of the SMARTech Electronic Thesis and Dissertation Collection.

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16

Roberts, Lezah Wilette. "Effect of Netropsin on One-electron Oxidation of DNA." Diss., Georgia Institute of Technology, 2005. http://hdl.handle.net/1853/7228.

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One electron oxidation of DNA has been studied extensively over the years. When a charge is injected into a DNA duplex, it migrates through the DNA until it reaches a trap. Upon further reactions, damage occurs in this area and strand cleavage can occur. Many works have been performed to see what can affect this damage to DNA. Netropsin is a minor groove binder that can bind to tracts of four to five A:T base pairs. It has been used in the studies within to determine if it can protect DNA against oxidative damage, caused by one-electron oxidation, when it is bound within the minor groove o

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17

Pounds, Michael A. "Electrochemical charge transfer at a metallic electrode : a simulation study." Thesis, University of Edinburgh, 2010. http://hdl.handle.net/1842/4193.

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Part I Electrochemical charge transfer at a metallic electrode: a simulation study The factors which affect the rate of heterogeneous electron transfer at a metallic electrode in the context of Marcus theory are investigated through molecular dynamics simulations. The system consists of the ionic melt K3Eu2+ 0:5Eu3+ 0:5Cl5:5 sandwiched between two parallel plate platinum electrodes held at a preset electrical potential. The charges on the electrode atoms are variationally obtained through the method of Siepmann and Sprik [J. Chem. Phys. 102, 511 (1995)] which models the polarization of the ele

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18

Xu, Shujuan. "EPR studies of electron and proton transfer in cytochrome c oxidase." Diss., Connect to online resource - MSU authorized users, 2008.

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Thesis (Ph. D.)--Michigan State University. Chemistry, Biochemistry and Molecular Biology, 2008.<br>Title from PDF t.p. (viewed on July 2, 2009) Includes bibliographical references. Also issued in print.

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19

Bhattacharyya, Anjan Kumar. "Intramolecular and intracomplex electron transfer in water soluble redox proteins." Diss., The University of Arizona, 1988. http://hdl.handle.net/10150/184339.

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Electron transfer to and between the redox centers of milk xanthine oxidase was investigated by laser flash-photolysis. Evidence is presented for slow equilibration of electrons (k < 38 s⁻¹) between the various redox centers of the enzyme. The enzyme-bound flavin and the heme moieties of the flavoprotein and cytochrome subunits of p-cresol methyl hydroxylase from Pseudomonas putida are both reduced rapidly in a second order manner by 5-dRF generated by the laser flash, followed by slower first order intramolecular electron transfer (k = 220 s⁻¹) from the protein-bound neutral flavin radical to

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20

Kucheryavy, Pavel Vladimirovich. "Proton-Coupled Electron Transfer for Long-Lived Charge Separation and Photocatalytic Water Splitting." Bowling Green State University / OhioLINK, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=bgsu1285314331.

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21

Zilic, Elvis. "Radiation curing and grafting of charge transfer complexes." View thesis, 2008. http://handle.uws.edu.au:8081/1959.7/19385.

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Thesis (Ph.D.)--University of Western Sydney, 2008.<br>Thesis submitted to the University of Western Sydney, College of Health and Science, School of Natural Sciences, in fulfilment of the requirements for admission to the Doctor of Philosophy. Includes bibliography.

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22

Gunawardhana, Kihanduwage N. Gipson Stephen L. "Chemistry, electrochemistry and electron transfer induced reactions of cobalt complexes with fluorinated ligands." Waco, Tex. : Baylor University, 2007. http://hdl.handle.net/2104/5114.

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Thesis (Ph.D.)--Baylor University, 2007.<br>In the abstract "CF3COCo(CO)3PPh3, CF3, Bu3SnH, CF3H, [Co(CO)4]-, [Co(CO)3(PPh3)]-, C2F4, C6F5Co(CO)3PPh3, C6F5, C6F5H, C6F5D, CF3COCo(CO)3PPh3, and Co-C(acyl)" are subscript. Includes bibliographical references (p. 205-213).

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23

Adamczyk, Katrin. "Ultrafast charge transfer processes in solution." Doctoral thesis, Humboldt-Universität zu Berlin, Mathematisch-Naturwissenschaftliche Fakultät I, 2010. http://dx.doi.org/10.18452/16202.

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Die Reaktionspfade und Reaktionsdynamik photoinduzierter bimolekularer Ladungstransferreaktionen werden mit Hilfe der ultraschnellen polarisationsabhängigen UV-Pump/IR-Probe-Spektroskopie charakterisiert. Allgemein akzeptierte Modelle zur Beschreibung von bimolekularen Elektrontranserreaktionen nehmen an, dass Ladungstrennung in polaren Lösungsmitteln zu zwei Arten von Ionenpaaren führt, den lockeren (LIPs) und den engen Ionenpaaren (TIPs). TIPs und LIPs können durch die Beobachtung von Schwingungsmoden spektroskopisch unterschieden werden. Allerdings deuten die multiplen Zeitskalen sowohl für

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24

Li, Hongtao. "Electron-electron correlations and lattice frustration in quasi-two-dimensional systems." Diss., The University of Arizona, 2011. http://hdl.handle.net/10150/202769.

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Strong electron-electron correlations and lattice frustration are two physical interactions that pose serious challenges to condensed matter physics. A variety of exotic physical phenomena, for example, charge ordering, spin liquid, and unconventional superconductivity, are believed to arise from the interplay of the two interactions. In this dissertation, I examine two families of systems which exhibit both electron-electron correlations and lattice frustration – charge transfer solids and layered cobaltates. The half-filled band Hubbard model on the triangular lattice has been proposed by me

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25

Wycoff, Donald E. "Catalysis of interfacial transfer of photo-generated electrons : a study of four molybdenum-sulfur complex ions mediating electron transfer across a colloidal semiconductor-liquid interface /." free to MU campus, to others for purchase, 2004. http://wwwlib.umi.com/cr/mo/fullcit?p3164554.

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26

Han, Dong. "Synthesis of Crown Ether/Ammonium Salt for Electron Transfer Study." Thesis, University of North Texas, 2002. https://digital.library.unt.edu/ark:/67531/metadc3141/.

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The theoretical model of Beratan and Onuchic predicts a large attenuation of ET rates through hydrogen bonds; however, the effect of individual hydrogen bond on electron transfer reaction has not been systematically studied. The organic complexes in this study are a series of crown ether/ammonium salt, which incorporate a redox partner on each component of the complex. The dimethoxynaphthalene redox donor was attached to the crown ether and a series of ammonium salts was synthesized which bear substituted quinone and naphthoquinone acceptor. The complexes characterization and preliminary elect

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27

Lin, Fuding. "Charge transport in mix-conducting hetero-ionic junctions of polyacetylene ionomers /." Connect to title online (Scholars' Bank) Connect to title online (ProQuest), 2009. http://hdl.handle.net/1794/10229.

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28

Göransson, Erik. "Bridge Mediated Electron Transfer in Conjugated and Cross-Conjugated Donor-Acceptor Compounds." Doctoral thesis, Uppsala universitet, Fysikalisk kemi, 2012. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-180442.

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Detailed understanding of electron transfer reactions is important in many aspects of chemistry, biology and solar energy conversion. The main aim of this thesis is to provide further insight into electron transfer through highly conjugated bridge structures. Towards this end, three series of donor-acceptor dyads have been studied, all using an oligo(1,4-phenylene-ethynylene) moiety as the bridge. A common theme in these series is that they explore the effects of having either an ethynylene or phenylene as the attachment group between the bridge and the donor or acceptor. Photophysical charact

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29

Stier, William. "Non-adiabatic molecular dynamics of electron transfer in dye sensitized semiconductor systems /." Thesis, Connect to this title online; UW restricted, 2003. http://hdl.handle.net/1773/8656.

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30

Medjanik, Katerina [Verfasser]. "Electron spectroscopy of novel charge transfer systems based on polycyclic aromatic hydrocarbons / Katerina Medjanik." Mainz : Universitätsbibliothek Mainz, 2011. http://d-nb.info/1017549419/34.

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31

Shao, Shuai. "Synthesis and Studies of Wide-Band Capturing BODIPY-Fullerene Based Donor-Acceptor Systems." Thesis, University of North Texas, 2020. https://digital.library.unt.edu/ark:/67531/metadc1703394/.

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Artificial photosynthesis is the process, which mimics the natural photosynthesis process in order to convert solar energy to chemical energy. This process can be separated into four parts, which are antenna system, reaction center, water oxidation center, and proton reduction center. If we only focus on the ‘antenna system and reaction center' modules, expanding the absorption band in antenna system and generating long-lived charge separated state in reaction center are two fantastic strategies to design the molecules in order to improve the efficiency of the artificial photosynthesis process

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32

Furman, Gary S. "The contribution of charge-transfer complexes to the color of kraft lignin." Diss., Georgia Institute of Technology, 1986. http://hdl.handle.net/1853/5644.

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33

Risko, Chad Michael. "Theoretical Evaluations of Electron-Transfer Processes in Organic Semiconductors." Diss., Georgia Institute of Technology, 2005. http://hdl.handle.net/1853/7272.

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The field of organic electronics, in which -conjugated, organic molecules and polymers are used as the active components (e.g., semiconductor, light emitter/harvester, etc.), has lead to a number a number of key technological developments that have been founded within fundamental research disciplines. In the Dissertation that follows, the research involves the use of quantum-chemical techniques to elucidate fundamental aspects of both intermolecular and intramolecular electron-transfer processes in organic, -conjugated molecules. The Dissertation begins with an introduction and brief review of

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34

Karlsson, Susanne. "Single and Accumulative Electron Transfer – Prerequisites for Artificial Photosynthesis." Doctoral thesis, Uppsala universitet, Kemisk fysik, 2010. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-122206.

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Photoinduced electron transfer is involved in a number of photochemical and photobiological processes. One example of this is photosynthesis, where the absorption of sunlight leads to the formation of charge-separated states by electron transfer. The redox equivalents built up by successive photoabsorption and electron transfer is further used for the oxidation of water and reduction of carbon dioxide to sugars. The work presented in this thesis is part of an interdisciplinary effort aiming at a functional mimic of photosynthesis. The goal of this project is to utilize sunlight to produce rene

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35

Odom, Susan A. "Electron transfer and delocalization in mixed-valence monocations of bis- and tris-(diarylamino) derivatives." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2008. http://hdl.handle.net/1853/26609.

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Thesis (Ph. D.)--Chemistry and Biochemistry, Georgia Institute of Technology, 2009.<br>Committee Chair: Marder, Seth; Committee Member: Bredas, Jean-Luc; Committee Member: Collard, David; Committee Member: Kippelen, Bernard; Committee Member: Tolbert, Laren. Part of the SMARTech Electronic Thesis and Dissertation Collection.

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36

Lim, Gary Lloyd Nogra. "Elucidation of Photoinduced Energy and Electron Transfer Mechanisms in Multimodular Artificial Photosynthetic Systems." Thesis, University of North Texas, 2017. https://digital.library.unt.edu/ark:/67531/metadc984185/.

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Multimodular designs of electron donor-acceptor systems are the ultimate strategy in fabricating antenna-reaction center mimics for artificial photosynthetic applications. The studied photosystems clearly demonstrated efficient energy transfer from the antenna system to the primary electron donor, and charge stabilization of the radical ion pair achieved with the utilization of secondary electron donors that permits either electron migration or hole transfer. Moreover, the molecular arrangement of the photoactive components also influences the route of energy and electron transfer as observed

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37

Ma, Jun. "Ultrafast Electron Transfer in Solutions Studied by Picosecond Pulse Radiolysis." Thesis, Université Paris-Saclay (ComUE), 2015. http://www.theses.fr/2015SACLS023/document.

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L'interaction de particules énergétiques avec les résultats de l'eau dans l'excitation et l'ionisation des molécules d'eau. Le processus d'ionisation se rapporte à la génération de l'excès d'électrons détachés de leurs molécules parentes et laissant derrière le trou positive (notée H₂O•⁺). Cela se produit sur le calendrier d'une transition électronique ~ 10⁻¹⁵s. Les processus chimiques plus anciens de H₂O•⁺ et l'excès d'électrons vers autre question suivie de l'eau en vrac ionisants restent encore peu par rapport connu et constitue un sujet difficile dans la chimie de rayonnement. Dans ma thès

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38

Tyree, William Stuart. "Correlation of Structure and Magnetic Properties in Charge-Transfer Salt Molecular Magnets Composed of Decamethylmetallocene Electron Donors and Organic Electron Acceptors." Thesis, Virginia Tech, 2005. http://hdl.handle.net/10919/34436.

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Di-n-propyl dicyanofumarate (DnPrDCF) and di-isopropyl dicyanofumarate (DiPrDCF) have been used as one-electron acceptors in the synthesis of charge-transfer salt magnets with decamethylmetallocenes, MCp*2 (M = Mn, Cr). Salts of each acceptor with each metallocene have been characterized and the structures of the chromium analogues have been solved. The two acceptors are structurally similar to dimethyl dicyanofumarate (DMeDCF) and diethyl dicyanofumarate (DEtDCF), which have been previously studied and found to form charge-transfer salt magnets with the aforementioned decamethylmetallocenes

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Garrison, Shana A. "SYNTHESIS AND PHOTOPHYSICAL CHARACTERIZATION OF PORPHYRIN-CONTAINING SUPRAMOLECULAR SYSTEMS: STRUCTURAL ISSUES FOR PORPHYRIN PHOTOPHYSICS AND ELECTRON TRANSFER." Akron, OH : University of Akron, 2005. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=akron1123616344.

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Thesis (Ph. D.)--University of Akron, Dept. of Chemistry, 2005.<br>"August, 2005." Title from electronic dissertation title page (viewed 09/24/2005). Advisor, David A. Modarelli; Committee members, Matthew Espe, Michael Taschner, Chrys Wesdemiotis, Stephanie Lopina; Department Chair, David Perry; Dean of the College, Charles B. Monroe; Dean of the Graduate School, George R. Newkome. Includes bibliographical references.

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Zheng, Yilong. "Characterization of Charge Transfer Processes Across Perylene Diimide/Electrode Interfaces for Organic Photovoltaic Devices." Diss., The University of Arizona, 2016. http://hdl.handle.net/10150/596140.

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Charge transfer efficiency at the organic/transparent conducting oxide (TCO) interface is one of the key parameters controlling the overall efficiency of organic photovoltaics (OPVs). Modification of this interface with a redox-active organic surface modifier may further enhance the charge transfer across the interface by providing a charge-transfer pathway between the electrode and the organic active layer. Functionalized perylene diimide molecules (PDI) are useful for modifying metal oxide/acceptor interfaces for inverted solar cell devices because their LUMO energy level is close to some co

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Hanson, Christina J. "Building model systems to understand Proton-Coupled Electron Transfer in heme : spectroscopic investigation of charge transfer to axially bound diimide acceptors." Thesis, Massachusetts Institute of Technology, 2013. http://hdl.handle.net/1721.1/79268.

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Thesis (S.M. in Inorganic Chemistry)--Massachusetts Institute of Technology, Dept. of Chemistry, 2013.<br>"February 2013." Vita. Cataloged from PDF version of thesis.<br>Includes bibliographical references.<br>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 coupled in a bidirectional system allowing for individual turning of the kinetics and thermodynamics. The target of interest is a biomimedic heme system allowing for a

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Kinayyigit, Solen. "Platinum (II) charge transfer chromophores electrochemistry, photophysics, and vapochromic sensing applications /." Bowling Green, Ohio : Bowling Green State University, 2007. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=bgsu1182802954.

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Clegg, Robert Samuel. "Structure, stability and electron transfer characteristics of self-assembled monolayers containing internal peptide groups /." view abstract or download file of text, 1999. http://wwwlib.umi.com/cr/uoregon/fullcit?p9955917.

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Thesis (Ph. D.)--University of Oregon, 1999.<br>Typescript. Includes vita and abstract. Includes bibliographical references (leaves 303-350). Also available for download via the World Wide Web; free to University of Oregon users. Address: http://wwwlib.umi.com/cr/uoregon/fullcit?p9955917.

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Tran, Thu-Trang. "Electron and multielectron reaction characterizations in molecular photosystems by laser flash photolysis, towards energy production by artificial photosynthesis." Thesis, Université Paris-Saclay (ComUE), 2019. http://www.theses.fr/2019SACLS320.

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La demande énergétique de l’humanité augmente rapidement et ne montre aucun signe de ralentissement. Parallèlement à cette problématique, l'utilisation abusive de combustibles fossiles est l'une des principales causes d'augmentation de la concentration de CO₂ dans l'atmosphère. Ces problèmes doivent être résolus en termes de limitation des émissions de CO₂ et de recherche de sources d'énergie renouvelables pour remplacer les combustibles fossiles. De nos jours, l’énergie solaire est l’une des sources d’énergie renouvelables les plus efficaces. La conversion de l'énergie de la lumière solaire e

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Sánchez-Carrera, Roel S. "Theoretical characterization of charge transport in organic molecular crystals." Atlanta, Ga. : Georgia Institute of Technology, 2008. http://hdl.handle.net/1853/26579.

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Thesis (Ph. D.)--Chemistry and Biochemistry, Georgia Institute of Technology, 2009.<br>Committee Chair: BrÃ©das, Jean-Luc; Committee Member: Kippelen, Bernard; Committee Member: Marder, Seth; Committee Member: Sherrill, David; Committee Member: Whetten, Robert. Part of the SMARTech Electronic Thesis and Dissertation Collection.

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Wei, Haoming, Jose Luis Barzola-Quiquia, Chang Yang, et al. "Charge transfer-induced magnetic exchange bias and electron localization in (111)- and (001)-oriented LaNiO3/LaMnO3 superlattices." American Institute of Physics, 2017. https://ul.qucosa.de/id/qucosa%3A23554.

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High-quality lattice-matched LaNiO3/LaMnO3 superlattices with monolayer terrace structure have been grown on both (111)- and (001)-oriented SrTiO3 substrates by pulsed laser deposition. In contrast to the previously reported experiments, a magnetic exchange bias is observed that reproducibly occurs in both (111)- and (001)-oriented superlattices with the thin single layers of 5 and 7 unit cells, respectively. The exchange bias is theoretically explained by charge transfer-induced magnetic moments at Ni atoms. Furthermore, magnetization data at low temperature suggest two magnetic phases in the

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Mo, Yan. "Quantum dissipation theory with application to electron transfer : Protein folding kinetics and thermodynamics : a mean-field ising model /." View abstract or full-text, 2006. http://library.ust.hk/cgi/db/thesis.pl?CHEM%202006%20MO.

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Forker, Roman. "Electronic Coupling Effects and Charge Transfer between Organic Molecules and Metal Surfaces." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2010. http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-26163.

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We employ a variant of optical absorption spectroscopy, namely in situ differential reflectance spectroscopy (DRS), for an analysis of the structure-properties relations of thin epitaxial organic films. Clear correlations between the spectra and the differently intense coupling to the respective substrates are found. While rather broad and almost structureless spectra are obtained for a quaterrylene (QT) monolayer on Au(111), the spectral shape resembles that of isolated molecules when QT is grown on graphite. We even achieve an efficient electronic decoupling from the subjacent Au(111) by ins

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49

Wallrapp, Frank. "Mixed quantum and classical simulation techniques for mapping electron transfer in proteins." Doctoral thesis, Universitat Pompeu Fabra, 2011. http://hdl.handle.net/10803/22685.

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El objetivo de esta tesis se centra en el estudio de la transferencia de electrones (ET), una de las reacciones más simples y cruciales en bioquímica. Para dichos procesos, obtener información directa de los factores que lo promueves, asi como del camino de transferencia electronica, no es una tarea trivial. Dicha información a un nivel de conocimiento detallado atómico y electrónico, sin embargo, es muy valiosa en términos de una mejor comprensión del ciclo enzimático, que podría conducir, por ejemplo, a un dise

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50

Sánchez-Carrera, Roel S. "Theoretical characterization of charge transport in organic molecular crystals." Diss., Georgia Institute of Technology, 2008. http://hdl.handle.net/1853/26579.

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In this thesis, a first-principles methodology to investigate the impact of electron-phonon interactions on the charge-carrier mobilities in organic molecular crystals has been developed. Well-known organic materials such as oligoacene and oligothienoacene derivatives were studied in detail. The nature of the intramolecular vibronic coupling in oligoacenes and oligothienoacenes was studied using an approach that combines high-resolution gas-phase photo-electron spectroscopy measurements with first-principles quantum-mechanical calculations. The electron interactions with optical phonons in oli

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