Pt5Se4 Monolayer: A Highly Efficient Electrocatalyst toward Hydrogen and Oxygen Electrode Reactions

Jun Hui Yuan, Li Heng Li, Wei Zhang, Kan Hao Xue, Chundong Wang, Jiafu Wang, Xiang Shui Miao, Xiao Cheng Zeng

Research output: Contribution to journalArticlepeer-review

24 Scopus citations


Electrocatalysts with high activities toward multiple electrode reactions are scarce and therefore highly sought. Here, we investigate the electrocatalytic performance of the two-dimensional (2D) Pt5Se4 monolayer toward hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR). Our density functional theory calculations show that the Pt5Se4 monolayer can serve as a low-Pt-loading trifunctional electrocatalyst with good kinetic and thermal stabilities. Specifically, the HER performance of the Pt5Se4 basal plane is predicted to be superior to that of 2D layered Pd or Pt dichalcogenides. Even considering the solvent effect, the catalytic OER performance of the Pt5Se4 monolayer is predicted to be comparable to the prevalent OER catalyst - IrO2, while the catalytic ORR performance of the Pt5Se4 monolayer is even higher than the predominating Pt(111) surface. Overall, the Pt5Se4 monolayer can be a promising trifunctional catalyst that exhibits high activities toward all hydrogen and oxygen electrode reactions.

Original languageEnglish (US)
Pages (from-to)13896-13903
Number of pages8
JournalACS Applied Materials and Interfaces
Issue number12
StatePublished - Mar 25 2020


  • hydrogen evolution reaction
  • monolayer PtSe
  • oxygen evolution reaction
  • oxygen reduction reaction
  • two-dimensional trifunctional electrocatalyst

ASJC Scopus subject areas

  • Materials Science(all)


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