Research highlight: On the enhanced performance of Pt-based high-entropy alloys catalyst during water–gas shift reaction: A density functional theory study

The highlighted results are that

  • The cocktail effect creates the unique heterogeneous form of the electron distribution generating the existence of electron donors together with electron acceptors on the HEA surface
  • Formation of HEA can inhibit CO poisoning
  • The most favorable pathway for WGSR on both Pt(111) and HEA(111) surfaces is the carboxyl pathway
  • HEA formation can improve thermodynamic driving force of WGSR compared to Pt(111)

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