Vacuum and Surface Science
Online ISSN : 2433-5843
Print ISSN : 2433-5835
Special Feature : Transactions of the Annual Meeting on the Japan Society of Vacuum and Surface Science 2019[III]
Oxygen Reduction Reaction Activity of Pt Sub-nano Clusters Supported on Graphene
Shun HASEGAWAYuji KUNISADANorihito SAKAGUCHI
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2020 Volume 63 Issue 8 Pages 413-418

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Abstract

We investigated oxygen reduction reaction (ORR) activity of Pt single atoms and Pt sub-nano clusters (Pt1, Pt2 Pt3) on pristine and various light-element doped graphene using first-principles calculations based on density functional theory. We revealed that ORR activity of these systems shows so-called volcano plot with adsorption energy of an OH which is an ORR intermediate as well as bulk metal catalysts. Additionally, we note that ORR activity of Pt1 is higher than those of Pt2 and Pt3, and a support effect caused by light-elements doped graphene is more clearly observed in the cases of Pt1. Therefore, the combination of Pt1 and proper light-element doped graphene support is a promising candidate for designing a new catalyst that competes with the current fuel cell catalyst ; bulk Pt catalyst.

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この記事はクリエイティブ・コモンズ [表示 - 非営利 4.0 国際]ライセンスの下に提供されています。
https://creativecommons.org/licenses/by-nc/4.0/deed.ja
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