Redistributing the local electron density of bismuth via introducing halogen atoms for boosting CO2 reduction to formate

Haidong Shen, Haoxi Wang, Tianshuai Wang, Jiarui Zhang, Shaowei Yang, Hao Jiang, Peng Zhao, Runze Gao, Xinrui Linghu, Ying Guo, Hepeng Zhang

Research output: Contribution to journalArticlepeer-review

Abstract

Bi-based materials have great potential for facilitating CO2 electrochemical reduction (CO2RR) to formate. Herein, guided by theoretical calculations, we constructed a metallic Bi electrocatalyst with Cl doped into its surface layer (Bi-Cl). The local electron density of Bi was redistributed, and the electrophilic Bi sites were also formed due to the relatively high electronegativity difference between Bi and Cl. Benefitting from this, a high formate Faradaic efficiency (94.5%) with a partial current density of ∼ −1.4 A cm−2 and a record formate formation rate of 25.7 μmol cm−2 h−1 at −0.86 V versus reversible hydrogen electrode, along with good long-term stability for more than 180 h at −400 mA cm−2 and 10 h at −10 A, can be achieved. Theoretical and experimental explorations verified that the enhanced capacities of inert CO2 activation and H2O dissociation contributed to the high CO2RR performance in Bi-Cl.

Original languageEnglish
Article number101057
JournalChem Catalysis
Volume4
Issue number8
DOIs
StatePublished - 15 Aug 2024

Keywords

  • CO reduction reaction
  • DFT calculations
  • electrocatalysts
  • halogen-doped bismuth
  • SDG9: Industry, innovation, and infrastructure
  • water dissociation

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