Single-atom vs. single-superatom as catalysts for ammonia production

Abstract

A new class of single-superatom catalyst (TiO, ZrO, and WC) supported on graphene is shown to outperform the stability and activity of their corresponding single-atom catalysts (Ni, Pd and Pt) for the electrochemical nitrogen reduction reaction. The results based on density functional theory point to a paradigm shift in catalyst design.