Tesi sul tema "Electrochemistry"
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Brookes, Benjamin A. "Computational electrochemistry". Thesis, University of Oxford, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.270000.
Testo completoFisher, Adrian Charles. "Mechanistic electrochemistry". Thesis, University of Oxford, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.293419.
Testo completoKlymenko, O. V. "Computational electrochemistry". Thesis, University of Oxford, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.409030.
Testo completoHunt, Nicholas Imber. "Biological electrochemistry". Thesis, University of Oxford, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.386592.
Testo completoLane, R. L. "Semiconductor electrochemistry". Thesis, University of Oxford, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.370280.
Testo completoMelville, James. "Computational electrochemistry". Thesis, University of Oxford, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.249179.
Testo completoThompson, Mary. "Computational electrochemistry". Thesis, University of Oxford, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.432256.
Testo completoChevallier, François Gregory. "Computational electrochemistry". Thesis, University of Oxford, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.433380.
Testo completoAlden, John. "Computational electrochemistry". Thesis, University of Oxford, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.297935.
Testo completoDu, G. "Computational electrochemistry". Thesis, University of Cambridge, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.598660.
Testo completoHenley, Iain. "Computational electrochemistry". Thesis, University of Bath, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.410800.
Testo completoGooch, Kerry A. "Numerical electrochemistry". Thesis, University of Bath, 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.425881.
Testo completoZhou, Yan. "Molecular electrochemistry". Thesis, University of Hull, 2012. http://hydra.hull.ac.uk/resources/hull:7072.
Testo completoBelding, Stephen Richard. "Computational electrochemistry". Thesis, University of Oxford, 2012. http://ora.ox.ac.uk/objects/uuid:e997642f-fbaa-469c-98a3-f359b0996f03.
Testo completoMenshykau, Dzianis. "Computational electrochemistry". Thesis, University of Oxford, 2012. http://ora.ox.ac.uk/objects/uuid:64e553c7-1bd2-429d-a5de-aeb4a29fc067.
Testo completoWilliams, Nia Ann. "Mechanistic electrochemistry". Thesis, University of Bath, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.341638.
Testo completoTaylor, Alasdair W. "Electrochemistry In Vacuo". Thesis, University of Nottingham, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.523505.
Testo completoOliver, B. Nigel. "Electrochemistry of metalloproteins". Thesis, University of Oxford, 1985. http://ora.ox.ac.uk/objects/uuid:0fddb16d-0dd1-42ab-a3b5-f1dc73bc922b.
Testo completoSaidi, Mohammed-Yazid. "Electrochemistry of intercalation". Thesis, Heriot-Watt University, 1991. http://hdl.handle.net/10399/845.
Testo completoKang, Minkyung. "Single nanoparticle electrochemistry". Thesis, University of Warwick, 2017. http://wrap.warwick.ac.uk/99424/.
Testo completoSu, Wen-Ta. "Electrochemistry in supercritical fluids". Thesis, University of Nottingham, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.537675.
Testo completoFitzgerald, A. M. "Electrochemistry in ionic liquids". Thesis, Queen's University Belfast, 2005. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.419511.
Testo completoBrooks, C. B. "Electrochemistry in ionic liquids". Thesis, Queen's University Belfast, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.401797.
Testo completoLatto, Matthew Neil. "The electrochemistry of diamond". Thesis, University of Bristol, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.247232.
Testo completoDabo, Ismaila. "Towards first-principles electrochemistry". Thesis, Massachusetts Institute of Technology, 2008. http://hdl.handle.net/1721.1/44320.
Testo completoIncludes bibliographical references (p. 143-151).
This doctoral dissertation presents a comprehensive computational approach to describe quantum mechanical systems embedded in complex ionic media, primarily focusing on the first-principles representation of catalytic electrodes under electrochemical conditions. The accurate electrostatic description of electrified metal-solution interfaces represents a persistent challenge for ab-initio simulations and an essential requisite for predicting the electrical response of electrochemical convertors-i.e., the correspondence between the macroscopic voltage and the microscopic interfacial charge distribution. The approach consists of controlling the electrode voltage via its conjugate extensive variable, namely, the charge of the system. As a preliminary to the study of electrified interfaces in ionic media, we analyze charged slabs in vacuum subject to periodic boundary conditions. We show that the corrective potential (defined as the difference between the exact open-boundary potential and the periodic potential obtained from a Fourier transform) varies smoothly over space, allowing for its determination on a coarse mesh using optimized electrostatic solvers. Because this scheme takes into account exact open boundary conditions, its performance is considerably superior to that of conventional corrective methods. Extending this computational scheme, we present an efficient approach to model electrochemical systems under realistic conditions, based on a first-principles description of the interface region and on a continuum representation of the ionic solvent.
(cont.) We demonstrate that the ionicsolution contribution to the electrostatic potential-the ionic solvent reaction field--can be computed independently at low cost simultaneously using fast Fourier transforms and multigrid techniques, and highlight the importance of adopting adequate electrochemical boundary conditions to correctly predict the electrical response of electrode-electrolyte interfaces. In order to probe and validate the electrochemical model, we study the vibrational Stark effect-i.e., the influence of the applied voltage on the vibrational properties-for carbon monoxide adsorbed on transition metal surfaces, a phenomenon whose description requires an accurate representation of the interfacial electric field. We start out the analysis by examining the vibrational properties of CO adsorbed on clean and ruthenium-covered platinum substrates. The calculated C-O stretching frequencies are found to be in excellent agreement with experimental measurements despite the frequent qualitative failures of local and semilocal exchange-correlation functionals in predicting adsorption energies for CO on transition metals. We then introduce an orbital-resolved force analysis to clarify the electronic origins of the C-O red shifts, and present a sensitivity analysis to assess the influence the HOMO and LUMO hybridizations on the calculated frequencies, thereby establishing the remarkable accuracy of conventional density-functional theory methods in determining the vibrational properties of adsorbed CO. Based on these results, we apply the electrochemical model to provide the first comprehensive ab-initio description of the vibrational Stark effect for CO on transition metal surfaces, finding excellent agreement with spectroscopic measurements.
(cont.) As related projects, we have implemented a molecular-dynamics algorithm for metallic systems and developed a self-interaction correction method to rectify the tendency of density-functional theory calculations to overestimate binding energies. The present computational electrochemistry toolkit open promising perspectives for the application of first-principles methods to assist the microstructural engineering of electrochemical convertors.
Ismaila Dabo.
Ph.D.
Jiao, Xue. "Electrochemistry of platinum nanoparticles". Thesis, University of Oxford, 2018. http://ora.ox.ac.uk/objects/uuid:5652b2fa-92cd-4ea6-829c-03c6f4b230dd.
Testo completoLi, Xiuting. "Electrochemistry of single nanoparticles". Thesis, University of Oxford, 2017. https://ora.ox.ac.uk/objects/uuid:1ea3a662-242d-4734-a4da-25765fad4427.
Testo completoToh, Her Shuang. "Electrochemistry of silver nanoparticles". Thesis, University of Oxford, 2015. https://ora.ox.ac.uk/objects/uuid:7b9c8a2f-6599-446e-a0b3-cb33ca39e476.
Testo completoXiao, Shaorong. "The electrochemistry of phenothiazine derivatives". Thesis, University of Central Lancashire, 2000. http://clok.uclan.ac.uk/20876/.
Testo completoNoël, James J. "The electrochemistry of titanium corrosion". Thesis, National Library of Canada = Bibliothèque nationale du Canada, 2000. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape2/PQDD_0028/NQ51663.pdf.
Testo completoBasura, Vesna Ivana. "Electrochemistry of proton exchange membranes". Thesis, National Library of Canada = Bibliothèque nationale du Canada, 2000. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape2/PQDD_0011/NQ61625.pdf.
Testo completoWain, Andrew John. "Electron spin resonance in electrochemistry". Thesis, University of Oxford, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.432259.
Testo completoDickinson, Edmund John Farrer. "Charge transport dynamics in electrochemistry". Thesis, University of Oxford, 2011. http://ora.ox.ac.uk/objects/uuid:e4acac56-7265-49ec-9a36-49b3ae6729ed.
Testo completoWhitaker, Richard George. "The electrochemistry of redox enzymes". Thesis, University of Warwick, 1989. http://wrap.warwick.ac.uk/4235/.
Testo completoStevens, Nicholas P. C. "Finite element simulations in electrochemistry". Thesis, University of Bath, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.285310.
Testo completoMcCormack, Sean Patrick. "Electrochemistry in the gas phase". Thesis, University College London (University of London), 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.415192.
Testo completoSilva-Martinez, Susana. "Applications of ultrasound in electrochemistry". Thesis, University of Southampton, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.242670.
Testo completoKloppers, Marius Jacques 1962. "Electrochemistry of iron-chromium alloys". Thesis, Massachusetts Institute of Technology, 1991. http://hdl.handle.net/1721.1/106706.
Testo completoVita.
Includes bibliographical references (leaves 307-314).
by Marius Jacques Kloppers.
Ph.D.
Dydek, EthelMae Victoria. "Electrochemistry and Electrokinetics in Microchannels". Thesis, Massachusetts Institute of Technology, 2012. http://hdl.handle.net/1721.1/70401.
Testo completoCataloged from PDF version of thesis.
Includes bibliographical references (p. 119-123).
The main body of this work considers the design and development of a microfluidic, continuous electrochemical sensor capable of measuring accurate potential differences. The key challenge in creating such a device is the implementation of a miniaturized reference electrode and salt bridge. The purpose of a salt bridge is to allow ionic conduction between the reference and working electrodes while maintaining a physical separation between the two systems. Macro reference electrode and salt bridge techniques are difficult to implement on a micro scale. Instead of attempting to conform one of these techniques to function in a micro system, new methods were developed that take advantage of the conditions in a continuous microfluidic device. In particular, laminar flow and slow relative diffusion times allow for a reference electrode that does not require a physical salt bridge. Ionic conduction is maintained between neighboring reference and analyte streams while slow mixing effectively separates the two systems. Several different device designs were investigated focusing on the prevention of reference electrode contamination. If the reference electrode is chemically contaminated it will no longer behave as expected and can not be used as a reference point. Contamination at the reference electrode was evaluated while varying flow rates and the geometry of the microfluidic device. Mathematical models were simulated in order to understand the mass transport in each device design. Based on these simulations, dimensionless groups were found that defined the dominant physics in each system. These dimensionless numbers were then validated experimentally and numerically over a range of device parameters. Subsequently, operation criteria were developed to ensure that the reference electrode remains stable and uncontaminated. By creating a stable reference electrode on chip, any homogeneous electrochemical system that was previously studied on the macro scale can now be studied continuously in a microfluidic device. A secondary portion of this work investigates the role of surface charge with respect to electrodynamics in a microchannel. As the surface area to volume ratio increases, the concentration of charge at a channel wall may begin to approach the electrolyte concentration in the bulk solution. This phenomenon is studied numerically, with and without convection, in particular as it relates to a possible mechanism for overlimiting current. Additionally, a potential de-ionization device is theorized based on this mechanism along with scaling arguments that can be used to aid device design.
by EthelMae Victoria Dydek.
Ph.D.
Dann, Thomas. "Pioneering investigations into organometallic electrochemistry". Thesis, University of East Anglia, 2014. https://ueaeprints.uea.ac.uk/49707/.
Testo completoSheng, Tian. "Heterogeneous catalytic reactions in electrochemistry". Thesis, Queen's University Belfast, 2014. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.675473.
Testo completoCutress, Ian James. "Algorithm development in computational electrochemistry". Thesis, University of Oxford, 2011. http://ora.ox.ac.uk/objects/uuid:a1cfb510-3656-4396-84b3-8e67b88d3d2f.
Testo completoZhou, Xiaofei. "The electrochemistry of organic nanoparticles". Thesis, University of Oxford, 2016. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.728824.
Testo completoLin, Shioujenq Andrew. "The electrochemistry of carbon monoxide". Case Western Reserve University School of Graduate Studies / OhioLINK, 2003. http://rave.ohiolink.edu/etdc/view?acc_num=case1055944045.
Testo completoHowarth, Paul. "The electrochemistry of electrochemical machining". Thesis, University of Edinburgh, 2003. http://hdl.handle.net/1842/10966.
Testo completoUdit, Andrew K. Barton Jacqueline K. "P450 BM3 electrochemistry and electrocatalysis /". Diss., Pasadena, Calif. : California Institute of Technology, 2005. http://resolver.caltech.edu/CaltechETD:etd-05112005-100825.
Testo completoSebantu, Lambert. "Electrochemistry of polyaniline-DNA system". [Johnson City, Tenn. : East Tennessee State University], 2004. https://dc.etsu.edu/etd/895.
Testo completoTitle from electronic submission form. ETSU ETD database URN: etd-0331104-130134. Includes bibliographical references. Also available via Internet at the UMI web site.
Arnaboldi, S. "CHIRAL ELECTROCHEMISTRY IN IONIC LIQUIDS". Doctoral thesis, Università degli Studi di Milano, 2014. http://hdl.handle.net/2434/244316.
Testo completoLázaro-Báez, María Isabel. "Electrochemistry of the leaching of chalcopyrite". Murdoch University, 2001. http://wwwlib.murdoch.edu.au/adt/browse/view/adt-MU20060817.125248.
Testo completoOdenthal, Katherine Jane Chemistry Faculty of Science UNSW. "Novel redox molecules for surface electrochemistry". Publisher:University of New South Wales. Chemistry, 2009. http://handle.unsw.edu.au/1959.4/43661.
Testo completo