Crystal Facets‐Activity Correlation for Oxygen Evolution Reaction in Compositional Complex Alloys

Abstract: Compositional complex alloys, including high and medium‐entropy alloys (HEAs/MEAs) have displayed significant potential as efficient electrocatalysts for the oxygen evolution reaction (OER), but their structure‐activity relationship remains unclear. In particular, the basic question of which crystal facets are more active, especially considering the surface reconstructions, has yet to be answered. This study demonstrates that the lowest index {100} facets of FeCoNiCr MEAs exhibit the highest activity. The underlying mechanism associated with the {100} facet's low in‐plane density, making it easier to surface reconstruction and form amorphous structures containing the true active species is uncovered. These results are validated by experiments on single crystals and polycrystal MEAs, as well as DFT calculations. The discoveries contribute to a fundamental comprehension of MEAs in electrocatalysis and offer physics‐based strategies for developing electrocatalysts.

Location
Deutsche Nationalbibliothek Frankfurt am Main
Extent
Online-Ressource
Language
Englisch

Bibliographic citation
Crystal Facets‐Activity Correlation for Oxygen Evolution Reaction in Compositional Complex Alloys ; day:23 ; month:07 ; year:2024 ; extent:11
Advanced science ; (23.07.2024) (gesamt 11)

Creator
Zhao, Hui‐Feng
Yao, Jun‐Qing
Wang, Ya‐Song
Gao, Niu
Zhang, Tao
li, Li
Liu, Yuyao
Chen, Zheng‐Jie
Peng, Jing
Liu, Xin‐Wang
Yu, Hai‐Bin

DOI
10.1002/advs.202404095
URN
urn:nbn:de:101:1-2407241410417.211310657616
Rights
Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
Last update
14.08.2025, 10:46 AM CEST

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Associated

  • Zhao, Hui‐Feng
  • Yao, Jun‐Qing
  • Wang, Ya‐Song
  • Gao, Niu
  • Zhang, Tao
  • li, Li
  • Liu, Yuyao
  • Chen, Zheng‐Jie
  • Peng, Jing
  • Liu, Xin‐Wang
  • Yu, Hai‐Bin

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