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Updated: Jul 5, 2025

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

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双极合加速H2O 分离通过基金属间催化剂

Haotian Guan1,2, Yijia Liu3, Xinmeng Hu3

  • 1College of Materials Science and Engineering, National Engineering Research Center for Magnesium Alloys, National Key Laboratory of Advanced Casting Technologies, Chongqing University, Chongqing, 400045, China.

Angewandte Chemie (International ed. in English)
|January 25, 2024
PubMed
概括

这项研究揭示了催化剂二极体,而不仅仅是d波段中心,是非过渡金属催化剂中水 (H2O) 分离的关键. 这一发现显著提高了气生成率.

关键词:
催化机制是一种催化机制.二极管二极管是什么意思 二极管二极管是什么意思水解腐蚀的腐蚀是如何发生的在金属间催化剂中,是的重要组成部分.

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