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Updated: Jun 8, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

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

Published on: April 12, 2019

ルチルで支えられた黄金のクラスターの金属の角原子は,水ガスシフト触媒の際に支配的な活性部位です

W Damion Williams1, Mayank Shekhar, Wen-Sheng Lee

  • 1School of Chemical Engineering, Purdue University, West Lafayette, Indiana 47907, USA.

Journal of the American Chemical Society
|September 22, 2010
PubMed
まとめ

二酸化チタンの黄金触媒は,水ガスシフト反応 (WGS) で高い活性を示しています. 黄金のクラスターごとに発生する割合は,1 nm 以上の粒子の大きさに関係なく,コーナー原子が主な活性部位である.

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Heterogeneous Catalysis01:22

Heterogeneous Catalysis

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Aldehydes and Ketones with Water: Hydrate Formation

An oxygen-based nucleophile, like water, can undergo addition reactions with aldehydes and ketones. The reaction leads to the formation of hydrates, also referred to as 1,1-diols or geminal diols.
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