Insights into pyridine-based graphynes anchoring second-row transition metal single atoms for electrocatalytic CO 2 reduction: a DFT study
Abstract
Pyridine-based graphynes anchoring second-row transition metals (TM-pdGY) are excellent electrocatalysts for the CO 2 RR. The regulation of the overall electronic structure of TM-pdGYs by the TM–N coordination is the origin of the high CO 2 RR activity.
Fields of Study & Subjects
CO2 Reduction Techniques and Catalysts
Ammonia Synthesis and Nitrogen Reduction
Electrocatalysts for Energy Conversion
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 28
- Issue
- 9
- Pages
- 5819–5833
- Publication date
- 1 January 2026
- Language
- EN