Experimentally revealed and theoretically certified synergistic electronic interaction of V-doped CoS for facilitating the oxygen evolution reaction

), and their outstanding stability was demonstrated after 48 h of continuous testing. The CoS and MoCoS NPs were also tested for comparison. Density functional theory (DFT) calculations showed that appropriate V doping (VCoS) can heighten the density of states (DOS) of the Fermi level, which generates more charge density and reduces the intermediate adsorption energy. This study not only provides efficient and powerful integrated catalysts, but also details a DFT calculation model guided by experiments to regulate the oxygen insertion technology, thus leading to the design of ideal materials and enabling more far-reaching applications in electrocatalysis.