Graphitic carbon nitride supported Ni–Co dual-atom catalysts beyond Ni1(Co1) single-atom catalysts for hydrogen production: a density functional theory study

If and only if with the partial adsorption of H, Ni–Co/gh-C 3 N 4 DACs exhibit good hydrogen production activity, far beyond Ni 1 (Co 1 )/gh-C 3 N 4 SACs, which would be predicted to be a potential hydrogen evolution catalyst with high cost-effectiveness.