Fig. 4: Theoretical calculation of HER activation energy on the prepared catalysts.
From: Implanting Ni-O-VOx sites into Cu-doped Ni for low-overpotential alkaline hydrogen evolution
a The optimized structures of H* adsorbed on bare Ni(111), b V–Ni(111), and c V/Cu–Ni(111). d The calculated ΔGH* diagram of the HER at the equilibrium potential for various Ni(111) catalysts. The values for Pt(111) is also shown here for comparison. e, f The deformation electronic density of V–Ni(111). Yellow and cyan refer to electron-rich and electron-deficient area, respectively. The isosurface value is 0.005 e Å−3.
