Electrochemical NO-to-NH 3 conversion on TM@NiN 2 single-atom catalysts: a DFT and machine learning investigation
Abstract
RHE). This work not only identifies an exceptional NORR catalyst but also provides guidelines for the rational development of electrocatalysts for NORR and related electrochemical reactions.
Fields of Study & Subjects
Ammonia Synthesis and Nitrogen Reduction
Catalytic Processes in Materials Science
Electrocatalysts for Energy Conversion
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 28
- Issue
- 7
- Pages
- 4600–4610
- Publication date
- 1 January 2026
- Language
- EN