Exploration of heteroatom doping in modulating the two-electron selectivity of M–N–C catalysts for the oxygen reduction reaction
Abstract
Our computational screening identifies pyrrole-type NiN 3 C 1 as a promising single-atom electrocatalyst to promote the two-electron reduction of oxygen to produce H 2 O 2 with high activity and selectivity.
Fields of Study & Subjects
Electrocatalysts for Energy Conversion
Ammonia Synthesis and Nitrogen Reduction
CO2 Reduction Techniques and Catalysts
Publication details
- Journal / source
- Chemical Communications
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 62
- Issue
- 10
- Pages
- 3338–3341
- Publication date
- 1 January 2026
- Language
- EN