Orbital-level band gap engineering of RuO2 for enhanced acidic water oxidation

Developing efficient and stable oxygen evolution reaction electrocatalysts under acidic conditions is crucial for advancing proton-exchange membrane water electrolysers commercialization. Here, we develop a representative strategy through p-orbital atoms (N, P, S, Se) doping in RuO2 to precisely regulate the lattice oxygen-mediated mechanism-oxygen vacancy site mechanism pathway. In situ and ex situ measurements along with theoretical calculations demonstrate that Se doping dynamically adjusts the band gap between the Ru-eg and O-p orbitals during the oxygen evolution reaction process. This modulation accelerates electron diffusion to the external circuit, promotes the lattice oxygen-mediated process, and…

• NN
  National Natural Science Foundation of China

  Awards: 22279095, 22309137
• DO
  Department of Science and Technology, Hubei Provincial People's Government

  Award: 2021CSA076
• WT
  Wuhan Textile University