Rationally tuning the atomic ratio of electrodeposited NiP for greatly enhanced hydrogen evolution in alkaline media

Rationally tuning the atomic ratio of electrodeposited NixPy for an optimal composition (Ni90P10) greatly enhances hydrogen evolution. Density functional theory calculations shed light on the enhancement mechanism, that in comparison to other examined atomic ratios Ni90P10 has a more moderate free energy of H adsorption and easier adsorption of water molecules toward greatly improved hydrogen production.