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 language | English |
---|---|
Article number | 101057 |
Journal | Chem Catalysis |
Volume | 4 |
Issue number | 8 |
DOIs | |
State | Published - 15 Aug 2024 |
Keywords
- CO reduction reaction
- DFT calculations
- electrocatalysts
- halogen-doped bismuth
- SDG9: Industry, innovation, and infrastructure
- water dissociation