Transition metal on topological chiral semimetal PdGa with tailored hydrogen adsorption and reduction

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

  • Qun Yang - , Max Planck Institute for Chemical Physics of Solids (Author)
  • Guowei Li - , Max Planck Institute for Chemical Physics of Solids, CAS - Ningbo Institute of Material Technology and Engineering, University of Chinese Academy of Sciences (Author)
  • Yudi Zhang - , CAS - Ningbo Institute of Material Technology and Engineering, University of Chinese Academy of Sciences (Author)
  • Jian Liu - , CAS - Ningbo Institute of Material Technology and Engineering, University of Chinese Academy of Sciences (Author)
  • Jiancun Rao - , University of Maryland, College Park (Author)
  • Thomas Heine - , Chair of Theoretical Chemistry (Author)
  • Claudia Felser - , Max Planck Institute for Chemical Physics of Solids (Author)
  • Yan Sun - , Max Planck Institute for Chemical Physics of Solids (Author)

Abstract

The difficulties in designing high-performance hydrogen evolution reaction (HER) catalysts lie in the manipulation of adsorption behaviors of transition metals (TMs). Topological chiral semimetals with super-long Fermi arc surface states provide an ideal platform for engineering the catalytic performance of TMs through the metal-support interaction. We found the adsorption trends of TMs can be modified significantly when deposited at the surface of the PdGa chiral crystal. The electron transfer from the TMs to the surface states of the PdGa reshapes the d band structure of TMs and weakens the hydrogen intermediate bonding. Especially, W/PdGa is expected to be a good HER catalyst with close to zero Gibbs free energy. Experimentally, we found a Pt-like exchange current density and turnover frequency when depositing W atoms at the PdGa nanostructures surface. The findings provide a way to develop high-efficient electrocatalysts by the interplay between topological surface states and metal-support interaction.

Details

Original languageEnglish
Article number207
Journalnpj computational materials
Volume7
Issue number1
Publication statusPublished - Dec 2021
Peer-reviewedYes