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Updated: Sep 10, 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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表面構造とイソプロパノールのPthklの電酸化に対するアニオン効果

Ao Li1, Gabriel Melle2, Camilo A Angelucci3

  • 1College of Chemical Engineering, China University of Mining and Technology, Xuzhou 221116, People's Republic of China.

The journal of physical chemistry letters
|August 23, 2025
PubMed
まとめ

プラチナ表面におけるイソプロパノールの電気酸化は,結晶の方向性に依存する. Pt{100}表面は,Pt{111}とPt{110}とは異なり,COadsの中間物質を示す持続的な振動を示している.

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