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Theory of the transition from sequential to concerted electrochemical proton-electron transfer
| Title: | Theory of the transition from sequential to concerted electrochemical proton-electron transfer |
| Authors: | Koper, Marc T. M. Browse this author |
| Issue Date: | 7-Feb-2013 |
| Publisher: | Royal Society of Chemistry |
| Journal Title: | Physical Chemistry Chemical Physics |
| Volume: | 15 |
| Issue: | 5 |
| Start Page: | 1399 |
| End Page: | 1407 |
| Publisher DOI: | 10.1039/c2cp42369c |
| Abstract: | A theory for the calculation of potential energy surfaces of electrochemical proton-coupled electron transfer is considered and parameterized on the basis of thermodynamic relations. The paper discusses the qualitatively different potential energy surfaces predicted by the theory, and their relation to the existence of sequential and concerted proton-electron transfer pathways. The concomitant activation energies for sequential and concerted PET are calculated. The applied overpotential may change the qualitative shape of the PES and therefore the mechanism of the proton-coupled electron transfer reaction. |
| Rights: | Phys. Chem. Chem. Phys., 2013,15, 1399-1407 - Reproduced by permission of the PCCP Owner Societies |
| Type: | article (author version) |
| URI: | http://hdl.handle.net/2115/53165 |
| Appears in Collections: | 触媒科学研究所 (Institute for Catalysis) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)
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Submitter: Marc T. M. Koper
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