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On the theory of electron transfer reactions at semiconductor electrode/liquid interfaces

Gao, Yi Qin and Georgievskii, Yuri and Marcus, R. A. (2000) On the theory of electron transfer reactions at semiconductor electrode/liquid interfaces. Journal of Chemical Physics, 112 (7). pp. 3358-3369. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:GAOjcp00a

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Abstract

Electron transfer reaction rate constants at semiconductor/liquid interfaces are calculated using the Fermi Golden Rule and a tight-binding model for the semiconductors. The slab method and a z-transform method are employed in obtaining the electronic structures of semiconductors with surfaces and are compared. The maximum electron transfer rate constants at Si/viologen2+/+ and InP/Me2Fc+/0 interfaces are computed using the tight-binding type calculations for the solid and the extended-Hückel for the coupling to the redox agent at the interface. These results for the bulk states are compared with the experimentally measured values of Lewis and co-workers, and are in reasonable agreement, without adjusting parameters. In the case of InP/liquid interface, the unusual current vs applied potential behavior is additionally interpreted, in part, by the presence of surface states.


Item Type:Article
Additional Information:©2000 American Institute of Physics. (Received 5 October 1999; accepted 23 November 1999) It is a pleasure to acknowledge the support of the National Science Foundation and the Office of Naval Research. We thank Professor Nathan S. Lewis, Dr. Arnel M. Fajardo, and Samir J. Anz for valuable discussions, and Professors Mark Ratner and Harry Finklea for their especially helpful comments. We also thank Shachi S. Gosavi for discussions on the application of the z-transform method.
Subject Keywords:semiconductor-electrolyte boundaries; charge exchange; reaction rate constants; surface chemistry; tight-binding calculations; EHT calculations; interface states
Record Number:CaltechAUTHORS:GAOjcp00a
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:GAOjcp00a
Alternative URL:http://dx.doi.org/10.1063/1.480918
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:2120
Collection:CaltechAUTHORS
Deposited By: Archive Administrator
Deposited On:09 Mar 2006
Last Modified:26 Dec 2012 08:47

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