First-principles study on screening diatomic catalysts for electrocatalytic NO reduction on single-layer BAs
Abstract
The catalytic performance and reduction mechanism of NH 3 synthesis by NO reduction on TM 2 C 4 @BAs were studied in detail, and the formation mechanisms of by-products under high concentration coverage and competitive reactions were compared.
Fields of Study & Subjects
Ammonia Synthesis and Nitrogen Reduction
Environmental remediation with nanomaterials
CO2 Reduction Techniques and Catalysts
Publication details
- Journal / source
- Journal of Materials Chemistry A
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 14
- Issue
- 16
- Pages
- 9689–9702
- Publication date
- 1 January 2026
- Language
- EN