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Updated: May 23, 2026

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
Published on: April 10, 2018
Dipole-field interaction: a missing link to bridge the gap between theoretical and experimental catalysis in
Ruirui Ren1, Yuhang Wang1,2, Bo Li1
1College of Chemistry and Pharmaceutical Engineering, Nanyang Normal University, Nanyang 473061, PR China.
Abstract:
The CO2-to-CO reduction behaviour on Fe/Co/Ni-based single-atom catalysts was systematically investigated. *CO is preferentially stabilized relative to *COOH under increasingly negative interfacial electric fields. A pH-dependent volcano relationship is revealed, exhibiting a rightward shift with increasing pH due to the distinct dipole moments of *CO and *COOH. Benchmarking against experimental data validates the microkinetic volcano model and identifies promising catalyst candidates. Importantly, dipole-field interactions emerge as a general descriptor, bridging theoretical predictions and experimental observations in CO2RR and beyond.
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