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Updated: Jul 29, 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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単原子密度による水素化反応におけるサバティア現象

Hongqiang Jin1,2, Runqing Zhao1,2, Peixin Cui3

  • 1Beijing National Laboratory for Molecular Sciences, CAS Key Laboratory of Molecular Nanostructure and Nanotechnology, CAS Research/Education Center for Excellence in Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China.

Journal of the American Chemical Society
|May 26, 2023
PubMed
まとめ

研究者らは,イリジウム単原子触媒 (SAC) を使用した水素化における新しいサバティエ現象を発見した. 触媒の設計原理に従って,特定の単原子密度で最適の活性が達成された.

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