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Updated: May 17, 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

使用金属有机框架化分子氧化水催化剂:一个全面的结构,催化,光谱和运动研究

Cheng Wang1, Jin-Liang Wang, Wenbin Lin

  • 1Department of Chemistry, CB #3290, University of North Carolina, Chapel Hill, North Carolina 27599, United States.

Journal of the American Chemical Society
|November 10, 2012
PubMed
概括

金属有机框架 (MOF) 被用作水氧化反应的固体催化剂. 研究人员将MOF中降解的复合物确定为活性物种,揭示了对催化机制的洞察力.

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相关概念视频

Heterogeneous Catalysis01:22

Heterogeneous Catalysis

Heterogeneous catalysis involves a catalyst in a different phase from the reactants. It is a process where the catalyst and the reactants are in distinct phases, typically solid and gas or liquid.Most heterogeneous catalysts are metals, metal oxides, or acids. The list includes transition metals like iron (Fe), cobalt (Co), nickel (Ni), palladium (Pd), platinum (Pt), chromium (Cr), manganese (Mn), tungsten (W), silver (Ag), and copper (Cu). These metals possess partially vacant d orbitals that...