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Updated: Sep 27, 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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RH単一結晶のCO水素化中の酸素化された中間物質の操作観察

David Degerman1, Mikhail Shipilin1, Patrick Lömker1

  • 1Department of Physics, AlbaNova University Center, Stockholm University, Roslagstullsbacken 21, Stockholm 114 21, Sweden.

Journal of the American Chemical Society
|April 8, 2022
PubMed
まとめ

この研究は,ロジウムの表面が,一酸化炭素の水素化からエタノールを選択的に生成する方法を示しています. オペランドX線光電子スペクトロスコピーは,この重要な触媒反応に関する機械的洞察を提供する,重要な中間種を特定した.

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