Engineering electronic platinum-carbon support interaction to tame carbon monoxide activation.

ABSTRACT: CO oxidation has been studied for more than a century; however, molecular-level understanding of its activation protocol and related intermediates remains elusive. Here, we present a unified mechanistic and kinetic picture of various electronic metal-support interactions within platinum-carbon catalysts via in situ spectroscopic/kinetic analyses and multi-scale simulations. Transient kinetic analysis and molecular dynamics simulations with a reactive force field provided a quantitative description of the competition between the oxygen association and oxygen dissociation mechanisms tuned by the interfacial charge distribution and CO coverage. Steady-state isotopic transient kinetic analysis and density functional theory calculations revealed a simultaneous shift in the rate-determining step

SUBMITTER: Chen W 

PROVIDER: S-EPMC11630704 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature