Pressure‐Assisted Ni 3 d –S 3 p Hybridization within Targeted In–S Layer for Enhanced Photocatalytic Hydrogen Production

Abstract Solar‐driven hydrogen production is significant for achieving carbon neutrality but is limited by unsatisfactory surface catalytic reaction kinetics. Layer regulation can impact carrier transmission or catalytic behavior, but the specific effects on the oxygen or hydrogen evolution reaction (OER or HER) remain unclear, and atomic layer level modulation for maxing HER is challenging. Here the distinct roles of modulated Zn–S or In–S surface layers in ZnIn 2 S 4 (ZIS) for the OER and HER, respectively, are disentangled. Moreover, the extensive characterizations and computational results demonstrate that stressful environments enable individual modulation and introduce Ni into the surface In–S layer…

• NN
  National Natural Science Foundation of China

  Awards: 52130405, 52202272, 52332008, 52025028, 52088101
• NK
  National Key Research and Development Program of China

  Award: 2021YFA1500800