Achieving high selectivity towards electro-conversion of CO₂ using In-doped Bi derived from metal-organic frameworks

Metal-organic frameworks (MOFs) and their derivatives have shown great potential as electrocatalysts, in virtue of their ease of functionalization and abundance of active sites. Here, we report a series of indium-doped bismuth MOF-derived composites (BiIn_X-Y@C) for the direct conversion of carbon dioxide (CO₂) to hydrocarbon derivatives. Amongst the catalysts studied, BiIn₅-500@C demonstrated high selectivity for the production of formate and intrinsic activity in a wide potential window, ranging from - 1.16 to - 0.76 V vs. RHE (V_RHE). At - 0.86 V_RHE, the Faradaic efficiency and total current density were determined as 97.5% and - 13.5 mA cm^-2, respectively. In addition, a 15-h stability test shows no obvious signs of deactivation. Complementary density functional theory (DFT) calculations revealed that the In-doped Bi₂O₃ are the predominant active centers for HCOOH production in the reduction of CO₂ under the action of the BiIn_X-Y@C catalyst. This work provides new detailed insights into reaction mechanism, and selectivity for reduction of CO₂via MOFs, which are expected to inspire and guide the design of novel, selective and efficient catalysts.