Theoretical study of CO2 electroreduction to C3+ liquid chemicals

초록

As reported recently in Cell Reports Physical Science, Che and colleagues performed density functional theory (DFT) calculations on Pd-Au interfaces and identified ∗CH<inf>2</inf> as a crucial intermediate in CO<inf>2</inf> electroreduction to C<inf>3+</inf> chemicals and highlighted C<inf>1</inf>–CH<inf>2</inf> coupling as a potential rate-limiting step, providing insights for optimizing bimetallic catalysts. © 2023 Elsevier Inc.