Fine-tuning d-p hybridization in Ni-Bx cocatalyst for enhanced photocatalytic H2 production

The H2-evolution kinetics play a pivotal role in governing the photocatalytic hydrogen-evolution process. However, achieving precise regulation of the H-adsorption and H-desorption equilibrium (Hads/Hdes) still remains a great challenge. Herein, we propose a fine-tuning d-p hybridization strategy to precisely optimize the Hads/Hdes kinetics in a Ni-Bx modified CdS photocatalyst (Ni-Bx/CdS). X-ray absorption fine-structure spectroscopy and theoretical calculations reveal that increasing B-atom amount in the Ni-Bx cocatalyst gradually strengthens the d-p orbital interaction between Ni3d and B2p, resulting in a consecutive d-band broadening and controllable d-band center on Ni active sites. The above consecutive…

• NN
  National Natural Science Foundation of China

  Awards: 2022YFB3803600, U23A20102, 22075220, U22A20147
• NS
  Natural Science Foundation of Hubei Province

  Award: 2022CFA001
• CU
  China University of Geosciences
• NK
  National Key Research and Development Program of China

  Award: 2022YFB3803600