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

Abstract

Rationally tuning the atomic ratio of electrodeposited Ni_xP_y 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.