Tuning the activity and selectivity of electroreduction of CO₂ to synthesis gas using bimetallic catalysts.

ABSTRACT: The electrochemical carbon dioxide reduction reaction to syngas with controlled CO/H₂ ratios has been studied on Pd-based bimetallic hydrides using a combination of in situ characterization and density functional theory calculations. When compared with pure Pd hydride, the bimetallic Pd hydride formation occurs at more negative potentials for Pd-Ag, Pd-Cu, and Pd-Ni. Theoretical calculations show that the choice of the second metal has a more significant effect on the adsorption strength of *H than *HOCO, with the free energies between these two key intermediates (i.e., ΔG(*H)-ΔG(*HOCO)) correlating well with the carbon dioxide reduction reaction activity and selectivity observed in the experiments, and thus can be used as a descriptor to search for other bimetallic catalysts. T

SUBMITTER: Lee JH 

PROVIDER: S-EPMC6700200 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature