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Updated: Sep 19, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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フラーレンネットワークの電子バッファリング効果によって可能になった水酸化におけるスケーリング関係を破る

Xiang Chen1,2, Hao Ma3, Xing Wang4

  • 1School of Materials Science and Engineering, Key Lab of Efficient Conversion and Solid-State Storage of Hydrogen & Electricity, Anhui University of Technology, Maanshan 243002, China.

Journal of the American Chemical Society
|June 4, 2025
PubMed
まとめ

研究者は,イリジウム活性部位をバッファリングするためにC60ネットワークを使用して,酸素進化反応 (OER) のスケーリング関係を破った. これは,よりよいエネルギー変換のために中間吸収を調整することによって,水解熱の効率を高めます.

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