Oxygen Defects Containing TiN Films for the Hydrogen Evolution Reaction: A Robust Thin-Film Electrocatalyst with Outstanding Performance.

Density functional theory (DFT) calculations of hydrogen adsorption on titanium nitride had previously shown that hydrogen may adsorb on both titanium and nitrogen sites with a moderate adsorption energy. Further, the diffusion barrier was also found to be low. These findings may qualify TiN, a versatile multifunctional material with electronic conductivity, as an electrode material for the hydrogen evolution reaction (HER).