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Yixuan Huang

affiliation not provided to SSRN

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A Computational Screening Study of Dual-Metal M1M2@1T-MoS2 with Various Coordination Environments as Catalysts for the Hydrogen Evolution Reaction

Number of pages: 18 Posted: 12 Dec 2025
Tingting Li, Guohao Yin, Haiyan Zhu, Shanlin Chen, Chou Wu, Shaobo Jia, Ghulam Meeladi, Yawei Li and Yixuan Huang
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, North China Electric Power University and affiliation not provided to SSRN
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Abstract:

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Keywords: Density Functional Theory (DFT), Free Energy Prioritization, First-Principles Calculations, Electrochemical Hydrogen Evolution Reaction (HER), Dual-Atom Catalysts (DACs), Composite Modulation Strategy.