Orbital-level band gap engineering of RuO<sub>2</sub> for enhanced acidic water oxidation.
basic_science · Level V
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- Record sourced from PubMed, PMID 40413179.
- Also identified by DOI 10.1038/s41467-025-60083-y and PMC identifier 12103616.
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Abstract
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 RuO<sub>2</sub> 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-e<sub>g</sub> 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 enhances catalytic activity. Additionally, it facilitates electron feedback and stabilizes oxygen vacancies, thereby promoting the oxygen vacancy site mechanism process and enhancing catalytic stability. The resulting Se-RuO<sub>x</sub> catalyst achieves efficient proton-exchange membrane water electrolysers performance under industrial conditions with a minimal charge overpotential of 1.67 V to achieve a current density of 1 A cm<sup>-2</sup> and maintain long-term cyclability for over 1000 h. This work presents a unique method for guiding the future development of high-performance metal oxide catalysts.