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Updated: Jul 16, 2026

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基于Ni的电极表面与不同的单原子兴奋剂的演变反应的电子性质的第一原则计算

Jianping Zeng1, Yan Zhang2, Shuyu Zeng2

  • 1School of Chemistry and Chemical Engineering, Yancheng Institute of Technology, Yancheng, 224051, China; Department of Chemistry, Nanjing University of Science and Technology, Nanjing, 210094, China.

Journal of molecular graphics & modelling
|May 15, 2024
PubMed
概括

在以为基础的电极中的兴奋剂显著增强了水电解的演化反应 (HER). 这种兴奋剂改变了电荷转移和电子特性,提高了生产效率.

关键词:
状态密度 (DOS) 是指状态的密度.电子密度差异 (EDD) 是指电子密度的差异.第一个原则.的进化反应 (HER)基于Ni的电极是电极.

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