Tailoring d -band center over electron traversing effect of Ni M @C-CoP ( M = Zn, Mo, Ni, Co) for high-performance electrocatalysis hydrogen evolution

doi:10.1016/j.jmst.2023.05.028

Abstract

Abstract: Attaining a highly efficient and inexpensive electrocatalyst is significant for the hydrogen evolution reaction (HER) but still challenging nowadays. The transition-metal phosphides (TMPs) catalysts with platinum-like electronic structures are a potential candidate for the HER, but those are prone to be strongly bound with hydrogen intermediates (H^∗), resulting in sluggish HER kinetics. Herein we report a unique hybrid structure of CoP anchored on graphene nanoscrolls@carbon nano tubes (CNTs) scaffold (Ni M @C-CoP) encapsulating various Ni M ( M = Zn, Mo, Ni, Co) bimetal nanoalloy via chemical vapor deposi-tion (CVD) growth of CNT on graphene nanoscrolls followed by the impregnation of cobalt precursors and phosphorization for efficiently electrocatalytic hydrogen evolution. CoP nanoparticles mainly scattered at the tip of CNT branches which exhibited the analogical “Three-layer core-shell'' structures. Experiments and density functional theory(DFT) calculations consistently disclose that the encapsulated various NiMs can offer different numbers of electrons to weaken the interactions of outmost CoP with H ∗and push the downshift of the d-band center to different degrees as well as stabilize the outmost CoP nanopar-ticles to gain catalytic stability via the electron traversing effect. The electrocatalytic HER activity can be maximumly enhanced with low overpotentials of 78 mV (alkaline) and 89 mV (acidic) at a current density of 10 mA/cm 2 and sustained at least 24 h especially for NiZn@C-CoP catalyst. This novel system is distinct from conventional three-layer heterostructure, providing a specially thought of d-band center control engineering strategy for the design of heterogeneous catalysts and expanding to other electrocat-alysts, energy storage, sensing, and other applications.

Key words: Electron traversing effect, 3D graphene/CNT, CoP nanoparticle, d-band center, Hydrogen evolution

Hao Luo, Xudong Zhang, Hui Zhu, Kexin Zhang, Fan Yang, Kewei Xu, Sen Yu, Dagang Guo. Tailoring d -band center over electron traversing effect of Ni M @C-CoP ( M = Zn, Mo, Ni, Co) for high-performance electrocatalysis hydrogen evolution[J]. J. Mater. Sci. Technol., 2023, 166: 164-172.

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