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Computational Modeling of Electrocatalysts for CO ₂ Reduction: Probing the Role of Primary, Secondary, and Outer Coordination Spheres

https://doi.org/10.1021/acs.accounts.4c00631

Zeng, Christina M; Panetier, Julien A (January 2025, Accounts of Chemical Research)

Free, publicly-accessible full text available January 27, 2026
The solvation environment of molecularly dispersed cobalt phthalocyanine determines methanol selectivity during electrocatalytic CO2 reduction

https://doi.org/10.1038/s41929-024-01190-9

Zhu, Quansong; Rooney, Conor L; Shema, Hadar; Zeng, Christina; Panetier, Julien A; Gross, Elad; Wang, Hailiang; Baker, L Robert (July 2024, Nature Catalysis)

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In Situ Generated CO Enables High-Current CO ₂ Reduction to Methanol in a Molecular Catalyst Layer

https://doi.org/10.1021/jacs.4c05961

Cheon, Seonjeong; Li, Jing; Wang, Hailiang (June 2024, Journal of the American Chemical Society)

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Mechanism-guided realization of selective carbon monoxide electroreduction to methanol

https://doi.org/10.1038/s44160-023-00384-6

Li, Jing; Shang, Bo; Gao, Yuanzuo; Cheon, Seonjeong; Rooney, Conor L; Wang, Hailiang (December 2023, Nature Synthesis)

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