Resolving Sequential Electron-Proton Transfer Kinetics for Electrochemical CO ₂ Reduction at Cu(100)/H ₂ O interface via a Quantum-Classical Framework

Yun Yang; Gang Fu

doi:10.1039/d5sc07385e

January 1, 2026Chemical ScienceOpen Access

Resolving Sequential Electron-Proton Transfer Kinetics for Electrochemical CO ₂ Reduction at Cu(100)/H ₂ O interface via a Quantum-Classical Framework

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Key Points

The main aim is to provide a theoretical framework for understanding electron and proton transfer kinetics in CO2 reduction processes.
Utilized a quantum-classical framework to analyze electron and proton transfer events.
Investigated the Cu(100)/H2O interface for electrochemical reactions.
Examined the kinetic parameters influencing electrocatalytic efficiency.
Established a unified theoretical description of electron and proton transfer kinetics.
Demonstrated the impact of these transfers on the efficiency of CO2 reduction reactions.
Highlighted variations in kinetics based on interface conditions.

Implication

Investigates electron and proton transfer kinetics at an electrochemical interface, highlighting efficient energy conversion mechanisms.

Abstract

Electron-transfer (ET) and proton-transfer (PT) events occurring at electrochemical interfaces ultimately dictate the efficiency of electrocatalytic energy conversion and chemical synthesis. Despite their significance, a unified theoretical description of ET/PT...

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Cite This Study

Yang et al. (2026) studied this question.

synapsesocial.com/papers/698433f6f1d9ada3c1fb1886 https://doi.org/10.1039/d5sc07385e

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Resolving Sequential Electron-Proton Transfer Kinetics for Electrochemical CO ₂ Reduction at Cu(100)/H ₂ O interface via a Quantum-Classical Framework

Key Points

Implication

Abstract

Discussion

Cite This Study

Resolving Sequential Electron-Proton Transfer Kinetics for Electrochemical CO ₂ Reduction at Cu(100)/H ₂ O interface via a Quantum-Classical Framework

Key Points

Implication

Abstract

Discussion

Cite This Study

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