Unusual Sabatier principle on high entropy alloy catalysts for hydrogen evolution reactions

Abstract The Sabatier principle is widely explored in heterogeneous catalysis, graphically depicted in volcano plots. The most desirable activity is located at the peak of the volcano, and further advances in activity past this optimum are possible by designing a catalyst that circumvents the limitation entailed by the Sabatier principle. Herein, by density functional theory calculations, we discovered an unusual Sabatier principle on high entropy alloy (HEA) surface, distinguishing the “just right” (Δ G H* = 0 eV) in the Sabatier principle of hydrogen evolution reaction (HER). A new descriptor was proposed to design HEA catalysts for HER. As a proof-of-concept, the synthesized PtFeCoNiCu HEA catalyst endows a…

• WC
  Western Canada Research Grid
• NN
  National Natural Science Foundation of China

  Award: 52130101
• UO
  University of Toronto
• PG
  People's Government of Jilin Province
• AD
  Alliance de recherche numérique du Canada
• NS
  Natural Sciences and Engineering Research Council of Canada
• FR
  Fundamental Research Funds for the Central Universities