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April 7, 2022Open Access

Computational Screening of Single and Di-Atom Catalysts for Electrochemical CO2 Reduction

NKNaiwrit KarmodakShiv Nadar University SVSudarshan VijayHuntington Hospital GKGeorg KastlungerTechnical University of Denmark

Key Points

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Abstract

* dipole-field interactions in both the MNCs and FeMNCs give rise to deviations in scaling from TM surfaces.

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Karmodak et al. (Thu,) studied this question.

synapsesocial.com/papers/69f609fa802deed698afceea https://doi.org/https://doi.org/10.1021/acscatal.1c05750

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Computational Screening of Single and Di-Atom Catalysts for Electrochemical CO2 Reduction | Synapse