論文

2017年9月

Two-Dimensional TiO2 Nanosheets for Photo and Electro-Chemical Oxidation of Water: Predictions of Optimal Dopant Species from First-Principles

JOURNAL OF PHYSICAL CHEMISTRY C
  • Namhoon Kim
  • ,
  • Emily M. Turner
  • ,
  • Yoonyoung Kim
  • ,
  • Shintaro Ida
  • ,
  • Hidehisa Hagiwara
  • ,
  • Tatsumi Ishihara
  • ,
  • Elif Ertekin

121
35
開始ページ
19201
終了ページ
19208
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1021/acs.jpcc.7b04725
出版者・発行元
AMER CHEMICAL SOC

Due to a high surface area to volume ratio, two-dimensional nanosheets have gained interest for photo and/or electrocatalytic water splitting. In particular, experimental Rh doping of lepidocrocite TiO2 nanosheets has significantly increased catalytic activity. We use first-principles density functional theory to consider the oxygen evolution reaction (OER) on both pristine and transition metal doped systems. While the undoped TiO2 nanosheets exhibit several limitations and require high overpotentials during the water splitting reaction, selected dopants modify the binding strength of reaction intermediates and can reduce rate limiting thermodynamic barriers and theoretical required overpotentials. We present an activity volcano for these nanosheets, with the full spectrum of 3d, 4d, and 5d transition metals as candidate dopants. Subsequent photocatalytic measurements of OER activity with selected dopants are carried out to validate the predictions, and the trends are found to be consistent. These results help describe how surface dopants affect reaction mechanisms and provide general design principles for high performance catalysts during the water splitting reaction.

Web of Science ® 被引用回数 : 8

リンク情報
DOI
https://doi.org/10.1021/acs.jpcc.7b04725
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000410597600027&DestApp=WOS_CPL
URL
https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85029218065&origin=inward

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