Trifunctional Cobalt Single-Atom Catalyst with Axial Chloride Coordination to Achieve Efficient Methylamine Electrosynthesis: A Constant-Potential DFT Study

Ao Yang; Changyan Zhu; Yun‐Jie Chu; Yaqian Zhang; Yun Geng; Xinlong Wang; Zhong-Min Su; Min Zhang

doi:10.1039/d6ta01804a

January 1, 2026Journal of Materials Chemistry A

Trifunctional Cobalt Single-Atom Catalyst with Axial Chloride Coordination to Achieve Efficient Methylamine Electrosynthesis: A Constant-Potential DFT Study

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Key Points

Investigate the efficiency of a cobalt single-atom catalyst for methylamine electrosynthesis.
Constant-potential density functional theory (DFT) study
Focus on electrochemical reaction pathways
Assessment of axial chloride coordination effects
Efficient methylamine production demonstrated
Nitrate and carbon dioxide effectively utilized for synthesis
C-N bond formation rates improved

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Implication

Electrochemical synthesis of methylamine from nitrate shows enhanced efficiency, indicating sustainable production potential.

Abstract

Electrochemical methylamine (MMA) synthesis from nitrate (NO3-) and carbon dioxide (CO2) offers a promising approach for sustainable MMA production, yet its progress remains largely limited due to the sluggish C-N...

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Yang et al. (2026) studied this question.

synapsesocial.com/papers/69fa980604f884e66b531e8e https://doi.org/10.1039/d6ta01804a

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Trifunctional Cobalt Single-Atom Catalyst with Axial Chloride Coordination to Achieve Efficient Methylamine Electrosynthesis: A Constant-Potential DFT Study

Key Points

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Implication

Abstract

Discussion

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Trifunctional Cobalt Single-Atom Catalyst with Axial Chloride Coordination to Achieve Efficient Methylamine Electrosynthesis: A Constant-Potential DFT Study

Key Points

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Implication

Abstract

Discussion

Cite This Study

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