d-electron regulation of Ru clusters via conductive V4C3Tx MXene and cation vacancy to boost efficient oxygen evolution

The design of economical and efficient noble-metal-based catalysts is paramount for sustainable energy production. However, modulating the electronic structures of noble metals so that they serve as efficient active sites remains challenging. In this study, we develop a multi-interfacial Ru/NiFe-LDH@V4C3Tx composite by modulating its d-electronic states using electron donors and cation vacancies. The fabricated Ru/NiFe-LDH@V4C3Tx catalyst exhibits a high mass activity of 7741 mA mgRu-1 at an overpotential of 270 mV and a low overpotential of 231 mV at 10 mA cm-2. Our experimental and density functional theory calculation investigations confirm that the synergistic effect of the V4C3Tx MXene and vacancies on the electron configuration lowers the Ru d-band center and weakens the adsorption of the ⁎OOH intermediate at the active Ru atom site. Thus, the catalytic performance significantly improves owing to the reduced energy barrier of the rate-determining step (RDS).