J. Phys. Soc. Jpn. 76 (2007) 024801 (4 pages)  |Previous Article| |Next Article|  |Table of Contents|
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Proton Transfer to Oxygen Adsorbed on Pt: How to Initiate Oxygen Reduction Reaction

Muneyuki Tsuda and Hideaki Kasai

(Received August 31, 2006; Accepted December 5, 2006; Published January 25, 2007)

We investigate the proton transfer to oxygen adsorbed on a platinum catalyst using ab initio density functional calculations. The proton tends to preferentially migrate to O₂ as compared to O because the highest occupied molecular orbital (HOMO) level of the Pt–O₂ system is higher than that of the Pt–O system. The results suggest that the oxygen reduction reaction (ORR) on Pt tends to initiate from the production of a hydroperoxo (–OOH) species. ©2007 The Physical Society of Japan

KEYWORDS: proton, oxygen, platinum, polymer electrolyte fuel cell, proton transfer, oxygen reduction, density functional calculations
URL: http://jpsj.ipap.jp/link?JPSJ/76/024801/
DOI: 10.1143/JPSJ.76.024801

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