CoP‐Doped MOF‐Based Electrocatalyst for pH‐Universal Hydrogen Evolution Reaction

Abstract Although electrocatalysts based on transition metal phosphides (TMPs) with cationic/anionic doping have been widely studied for hydrogen evolution reaction (HER), the origin of performance enhancement still remains elusive mainly due to the random dispersion of dopants. Herein, we report a controllable partial phosphorization strategy to generate CoP species within the Co‐based metal‐organic framework (Co‐MOF). Density functional theory calculations and experimental results reveal that the electron transfer from CoP to Co‐MOF through N‐P/N‐Co bonds could lead to the optimized adsorption energy of H 2 O (Δ G ) and hydrogen (Δ G H* ), which, together with the unique porous structure of Co‐MOF,…

• NN
  National Natural Science Foundation of China

  Awards: 21832004, 21571145
• WU
  Wuhan University
• UO
  University of California, Riverside
• KI
  Korea Institute of Materials Science