Improving CO2-to-C2 Conversion of Atomic CuFONC Electrocatalysts through F, O-Codrived Optimization of Local Coordination Environment

Zunhang Lv, Changli Wang, Yarong Liu, Rui Liu, Fang Zhang, Xiao Feng, Wenxiu Yang*, Bo Wang*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

Abstract

Electrocatalytic CO2 to multi-carbon products is an attractive strategy to achieve a carbon-neutral energy cycle. Single-atom catalysts (SACs) that achieve the C2 selectivity always have low metal loading and inevitably undergo in situ reversible/irreversible metallic agglomerations under working conditions. Herein, a high-density Cu SA anchored F, O, N co-doped carbon composites (CuFONC) with a stable CuN2O1 configuration is provided, which can reach a remarkable C2 selectivity of ≈80.5% in Faradaic efficiency at −1.3 V versus RHE. In situ/ex situ experimental characterization and density functional theory (DFT) calculations verified that the excellent stability of CuN2O1 during the CO2RR process can be attributed to F/O co-derived regulation for CuFONC. Remarkably, as confirmed by DFT, it is atomic Cu sites and the adjacent bonded N motifs in CuFONC that act as the adsorption sites for CO* during the C─C coupling process. This work brings a prospective on designing novel but stable atomic Cu coordination for electrolytic CO2-to-C2 pathway.

Original languageEnglish
Article number2400057
JournalAdvanced Energy Materials
Volume14
Issue number21
DOIs
Publication statusPublished - 5 Jun 2024

Keywords

  • CO Reduction
  • Cu single-atom catalysts
  • local coordination environment
  • site stability

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Lv, Z., Wang, C., Liu, Y., Liu, R., Zhang, F., Feng, X., Yang, W., & Wang, B. (2024). Improving CO2-to-C2 Conversion of Atomic CuFONC Electrocatalysts through F, O-Codrived Optimization of Local Coordination Environment. Advanced Energy Materials, 14(21), Article 2400057. https://doi.org/10.1002/aenm.202400057