Theoretical study of single-atom catalysts for hydrogen evolution reaction based on bitebr monolayer

HIGHLIGHTS

  • What: This work provides a reference for the research of new HER catalysts.
  • Who: Tao Yang and Qiquan Luo from the Institutes of Physical Science and Information Technology, Anhui University, Hefei, China have published the article: Theoretical Study of Single-Atom Catalysts for Hydrogen Evolution Reaction Based on BiTeBr Monolayer, in the Journal: Materials 2024, 2377 of /2024/
  • How: The results indicated that the ∆GH value at pH = 0 is 0.056 eV for RuS2 /VBi validating the rationality of the traditional Computational Hydrogen Electrode (CHE) method for performance evaluation in this system . . .

     

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