Single-atom <i>vs.</i> single-superatom as catalysts for ammonia production
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.
Authors
- Puru Jena (ORCID: https://orcid.org/0000-0002-2316-859X)
- Mehmet Emin Kılıç (ORCID: https://orcid.org/0000-0003-1814-5104)
Institutions
- Virginia Commonwealth University (US)
Publication Details
- Journal
- Chemical Communications
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d4cc04862h
- Citations
- 8
- Primary Topic
- Ammonia Synthesis and Nitrogen Reduction
- Type
- article
- Field-Weighted Citation Impact
- 3.11
Funders
- U.S. Department of Energy
- Virginia Commonwealth University
- National Energy Research Scientific Computing Center
- High Performance Research Computing, Texas A and M University
- Basic Energy Sciences