Electron Transfer in Oxygen Reduction
During the first three years we developed a method to calculate the kinetics of electrochemical electron transfer, which we applied explicitly to steps of the oxygen reduction in alkaline media. As a consequence, we explained basic differences between the catalysis of this reaction in alkaline and in acid media.
In the second period we first want to improve the treatment of the solvent, which plays an essential part in electron transfer For this purpose we shall investigate the solvation of the reactants at the interface by means of molecular dynamics. The results will be incorporated into our formalism. With the improved theory we shall investigate the first step of oxygen reduction in alkaline media (O2 + e- -> O2-) and in acid media (O2 + H+ + e- -> HO2) on a number of selected metal electrodes. In the potential range, in which oxygen reduction occurs, many metals are partially covered with OH; therefore we plan to study the effect of adsorbed OH on the electron transfer.
Finally we shall investigate the reactions that follow the first electron transfer, focusing on the breaking of the O-O bond, which is required for a full four-electron reduction, otherwise the reaction stops at peroxide.
Contact
- Prof. Dr. Wolfgang Schmickler
- Inst. of Theoretical Chemistry
- Ulm University
- Albert-Einstein-Allee 11
- D-89069 Ulm
- Telephone: +49 (0)731/50 31340
- Telefax: +49 (0)731/50 22819
- E-Mail: wolfgang.schmickler(at)uni-ulm.de
- Dr. Elizabeth Santos
- Inst. of Theoretical Chemistry
- Ulm University
- Albert-Einstein-Allee 11
- D-89069 Ulm
- Telephone: +49 (0)731/50 31342
- Telefax: +49 (0)731/50 22819
- E-Mail: elisabeth.santos(at)uni-ulm.de