Computational electrochemistry

Thesis

This thesis addresses simulation of electrochemical experiments, with an emphasis on processes of diffusional mass transport to electrode surface. Following system has been studied:

• Applying theoretical modeling and experimentation is shown that even significant surface roughness produced by deliberate polishing or scratching is not sufficient to be distinguished in cyclic voltammetry experiments conducted under the usual conditions. In stripping voltammetry experiment the shape o...

Expand abstract

Authors: Menshykau, DD

• Publication date: 2012
• Type of award: DPhil
• Level of award: Doctoral
• Awarding institution: University of Oxford
• Language: English
• Keywords: chronoamperometry; proton-coupled electrochemical reduction; ring electrode; array of microelectrodes; cyclic voltammetry; electrochemistry; generator-collector electrods; stripping voltammetry; computational chemistry; pinhole diffusion; rough electrodes; through-film diffusion; voltammetry of surface bound species; microelectrode; porous electrodes
• Subjects: Computational chemistry; Structure of interfaces; Surface chemistry; Electrochemistry and electrolysis; Chemical kinetics; Physical & theoretical chemistry; Theoretical chemistry