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

Yang, Q., Li, G., Zhang, Y., Liu, J., Rao, J., Heine, T., et al. (2021). Transition metal on topological chiral semimetal PdGa with tailored hydrogen adsorption and reduction. npj Computational Materials, 7(1): 207, pp. 1-8. doi:10.1038/s41524-021-00684-5.

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 Creators:
Yang, Qun1, Author              
Li, Guowei1, Author              
Zhang, Yudi2, Author
Liu, Jian2, Author
Rao, Jiancun2, Author
Heine, Thomas2, Author
Felser, Claudia3, Author              
Sun, Yan1, Author              
Affiliations:
1Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863425              
2External Organizations, ou_persistent22              
3Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863429              

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 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.

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Language(s): eng - English
 Dates: 2021-12-202021-12-20
 Publication Status: Published in print
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 Table of Contents: -
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Title: npj Computational Materials
  Abbreviation : npj Comput. Mater.
Source Genre: Journal
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Publ. Info: London : Springer Nature
Pages: - Volume / Issue: 7 (1) Sequence Number: 207 Start / End Page: 1 - 8 Identifier: ISSN: 2057-3960
CoNE: https://pure.mpg.de/cone/journals/resource/2057-3960