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Updated: Jul 14, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Published on: April 12, 2019

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同质水氧化催化剂的催化步骤的电子结构和能量之间的相关性

Daan den Boer1, Dennis G H Hetterscheid1

  • 1Leiden Institute of Chemistry, Leiden University, 2300RA, Leiden, The Netherlands.

Journal of the American Chemical Society
|October 10, 2023
PubMed
概括

用电子捐赠或提取组修改催化剂会影响水的氧化步骤. 电子吸收组转移氧化潜力,为电催化剂提供了新的设计规则.

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