Single-atom vs. single-superatom as catalysts for ammonia production
Mehmet Emin Kilic1, Puru Jena1
1Physics Department, Virginia Commonwealth University, Richmond, VA 23284, USA. pjena@vcu.edu.
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.
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