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From: Computational advances in electrochemical CO₂ reduction: design of copper-based and atomically dispersed catalysts, interfacial dynamics, and machine learning

Computational advances in electrochemical CO<sub>2</sub> reduction: design of copper-based and atomically dispersed catalysts, interfacial dynamics, and machine learning

Figure 7. Overview of SACs for eCO₂R. (A) Schematic of M–N–C active-site motifs embedded in a nitrogen-doped carbon support, and the corresponding C₁ (CO, HCOOH, CH₃OH, CH₄) product distributions accessible via eCO₂R. Reproduced with permission from Ref.^[105], Copyright © 2020 American Chemical Society; (B) Periodic-table map of transition-metal SACs investigated computationally and/or experimentally, colour-coded by primary reduction product selectivity (CO, HCOOH, CH₃OH, CH₄, and C₂₊). Adapted from Ref.^[106], Copyright © 2021 Royal Society of Chemistry. SACs: Single-atom catalysts; eCO₂R: electrochemical CO₂ reduction.