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Top‐Level Design Strategy to Construct an Advanced High‐Entropy Co–Cu–Fe–Mo (Oxy)Hydroxide Electrocatalyst for the Oxygen Evolution Reaction

Zhang, Lingjie ; Cai, Weiwei ; Bao, Ningzhong

Advanced materials (Weinheim), 2021-06, Vol.33 (22), p.e2100745-n/a [Periódico revisado por pares]

Germany: Wiley Subscription Services, Inc

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  • Título:
    Top‐Level Design Strategy to Construct an Advanced High‐Entropy Co–Cu–Fe–Mo (Oxy)Hydroxide Electrocatalyst for the Oxygen Evolution Reaction
  • Autor: Zhang, Lingjie ; Cai, Weiwei ; Bao, Ningzhong
  • Assuntos: Cobalt ; Copper ; Density functional theory ; electrocatalysis ; Electrocatalysts ; Electrochemical analysis ; electrochemical reconstruction ; Energy conversion ; Energy storage ; Entropy ; Entropy of reaction ; high entropy ; Hydroxides ; Iron ; Materials science ; Molybdenum ; oxygen evolution reaction ; Oxygen evolution reactions ; Performance enhancement ; quaternary metallic (oxy)hydroxides ; Synchrotron radiation ; Synchrotrons ; Synergistic effect ; Water splitting
  • É parte de: Advanced materials (Weinheim), 2021-06, Vol.33 (22), p.e2100745-n/a
  • Notas: ObjectType-Article-1
    SourceType-Scholarly Journals-1
    ObjectType-Feature-2
    content type line 23
  • Descrição: High‐entropy materials are new‐generation electrocatalysts for water splitting due to their excellent reactivity and highly tailorable electrochemical properties. Herein, a powerful top‐level design strategy is reported to guide and design advanced high‐entropy electrocatalysts by establishing reaction models (e.g., reaction energy barrier, conductivity, adsorption geometries for intermediates, and rate‐determining step) to predict performance with the help of density functional theory (DFT) calculations. Accordingly, novel high‐entropy Co–Cu–Fe–Mo (oxy)hydroxide electrocatalysts are fabricated by a new low‐temperature electrochemical reconstruction method and their oxygen evolution reaction (OER) properties are thoroughly characterized. These as‐prepared quaternary metallic (oxy)hydroxides present much better OER performance than ternary Co–Cu–Mo (oxy)hydroxide, Co–Fe–Mo (oxy)hydroxide, and other counterparts, and are demonstrated with a low overpotential of 199 mV at a current density of 10 mA cm−2 and a 48.8 mV dec−1 Tafel slope in 1 m KOH and excellent stability without decay over 72 h. The performance enhancement mechanism is also unraveled by synchrotron radiation. The work verifies the usefulness of high‐entropy design and the great synergistic effect on OER performance by the incorporation of four elements, and also provides a new method for the construction of advanced high‐entropy materials for energy conversion and storage. A top‐level design strategy assisted by density functional theory is reported to guide and design advanced high‐entropy electrocatalysts and their enhanced catalytic oxygen evolution reaction (OER) performance is successfully predicted. A new low‐temperature electrochemical reconstruction method is developed to fabricate the as‐predicted high‐entropy catalysts. The as‐prepared high‐entropy Co–Cu–Fe–Mo (oxy)hydroxide electrocatalyst exhibits exceptional electrocatalytic OER performance, consistent with theory calculations.
  • Editor: Germany: Wiley Subscription Services, Inc
  • Idioma: Inglês
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  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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