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“d‐Electron Complementation” Induced V‐Co Phosphide for Efficient Overall Water Splitting

Zhang, Rui ; Wei, Zhenhua ; Ye, Gaoyang ; Chen, Guanjie ; Miao, Jiaojiao ; Zhou, Xuehua ; Zhu, Xiangwei ; Cao, Xiaoqun ; Sun, Xiangnan

Advanced energy materials, 2021-10, Vol.11 (38), p.n/a [Periódico revisado por pares]

Weinheim: Wiley Subscription Services, Inc

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  • Título:
    “d‐Electron Complementation” Induced V‐Co Phosphide for Efficient Overall Water Splitting
  • Autor: Zhang, Rui ; Wei, Zhenhua ; Ye, Gaoyang ; Chen, Guanjie ; Miao, Jiaojiao ; Zhou, Xuehua ; Zhu, Xiangwei ; Cao, Xiaoqun ; Sun, Xiangnan
  • Assuntos: Charge density ; Cobalt oxides ; Density functional theory ; d‐electron complementation ; Electrocatalysts ; Electrons ; Fine structure ; Oxygen evolution reactions ; Phosphides ; Photoelectrons ; Vanadium ; Water splitting
  • É parte de: Advanced energy materials, 2021-10, Vol.11 (38), p.n/a
  • Descrição: To generate “green hydrogen,” electrochemical water splitting is regarded as the most promising method, which requires highly efficient bifunctional electrocatalysts to accelerate the hydrogen and oxygen evolution reactions (HER and OER). Herein, a “d‐electron complementation” principle to develop such candidates is proposed. By taking advantage of the filling characteristics of 3d orbitals, vanadium‐cobalt phosphide (V‐CoP) is synthesized. According to X‐ray absorption fine structure and X‐ray photoelectron spectroscopy investigation, V can disorder the coordination environment of Co, leading to increased/decreased charge density in Co(P)/Co(O). As a result, V‐CoP shows impressive bifunctional activity, which only needs overpotentials of 46 and 267 mV to deliver 10 mA cm−2 for the HER and OER, respectively. Density functional theory calculations reveal that the accelerated H2O dissociation process on the VOx/CoOx/CoP surface and H conversion kinetics on the V‐neighboring CoCo bridge site result in promoted HER activity. Furthermore, the up‐shifted d‐band center of V‐CoOOH endows the V‐neighboring Co site with a lowered energy barrier for the OER. This work serves as a proof‐of‐concept for the application of the “d‐electron complementation” principle, which can be a generalized guideline to design and develop novel highly efficient catalysts. A “d‐electron complementation” principle is proposed to develop a highly efficient electrocatalyst. As a proof‐of‐concept, V‐Co phosphide is synthesized, which shows V‐determined activity for water splitting. Density functional theory calculations reveal that the high hydrogen evolution reaction activity originates from the charge transfer from V to Co, while the opposite effect is responsible for the high oxygen evolution reaction activity.
  • Editor: Weinheim: Wiley Subscription Services, Inc
  • Idioma: Inglês
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  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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