Pd-Based Multi-Site Catalysts for Selective CO2-to-Methanol Conversion

Developing a multi-site Pd-based electrocatalyst for CO 2 -to-C1 conversion with high performance and selectivity in the hydrogenation pathway for the CO 2 electroreduction reaction is both desirable and challenging. Here, we develop triple-site metallene (Pd 82 Bi 11 In 7 ), which can achieve an unprecedented Faraday efficiency of 72.6 ± 1% for methanol production. X-ray photoelectron spectroscopy analysis indicates that some electrons transfer from In and Bi to Pd inside Pd 82 Bi 11 In 7, forming local electron-rich Pd-site, local primary electron-deficient center In-site, and local secondary electron-deficient center Bi-site. Meanwhile, Pd 82 Bi 11 In 7 has stronger adsorption for *COOH and *CO, which avoids the generation of formic acid and CO. Moreover, Pd 82 Bi 11 In 7 reduces the potential determining step energy barrier and controls the hydrogenation path for direct methanol production. The synergistic effect of the triple-sites enables efficient CO 2 electroreduction to methanol.