Screening antimonene-based single-atom catalysts for nitric oxide electroreduction to ammonia by density functional theory computations
Abstract
Au/Sb exhibits the best NORR performance with the d-band center and charge transfer as key descriptors.
Fields of Study & Subjects
Ammonia Synthesis and Nitrogen Reduction
Electrocatalysts for Energy Conversion
CO2 Reduction Techniques and Catalysts
Publication details
- Journal / source
- New Journal of Chemistry
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 50
- Issue
- 16
- Pages
- 6827–6834
- Publication date
- 1 January 2026
- Language
- EN