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Theoretical Investigation of the Non-metal Site of Two-Dimensional Metal-Benzenehexathiol for Hydrogen Evolving Activity Enhancement

Huiying Yao,Xing Huang,Shuzhou Li,Wei Xu,Jia Zhu

Journal of Materials Chemistry C（2023）

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Abstract
For electrocatalysts, the electrocatalytic activity of non-metal sites is not negligible. We found that sulfur atoms should be the predominant active site for conjugated metal-organic frameworks (c-MOFs) based on benzenehexathiol...
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