The Journal of Chemical Physics· 2026Q1
Revisiting nuclear quantum effects on the mechanism of electrochemical reduction of CO at Cu(111) surface
- 0citations
- Q1SCImago
- 2026year
Short summary
Nuclear quantum effects (NQEs) reduce the activation free energy for the dominant proton-coupled electron transfer (PCET) pathway of *CHO formation on Cu(111) by 30% (0.12 eV) compared to the quantum barrier, indicating a significant impact on reaction rates.
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Renewable Energy, Sustainability and the EnvironmentEnergy