Site-Selective Oxide Rearrangement in a Tandem Metal-Metal Oxide Catalyst Improves Selectivity in Oxidative Dehydrogenation of Propane.

ABSTRACT: Tandem metal-metal oxide catalysts, where metallic and metal oxide active sites work synergistically to drive complex chemistries, have been shown to improve the catalyst stability, activity, and selectivity. Although experimental techniques have probed the active site structure of such catalysts, the key atomic features that drive structure evolution under synthesis and reaction conditions remain poorly understood. Here, we develop a computational framework to elucidate the chemical, geometric, and stoichiometric features of the tandem overcoated catalyst, Pt-InO_xH_y, in driving the Oxidative Propane Dehydrogenation (ODHP) reaction, integrating propane dehydrogenation (PDH) and Selective Hydrogen Combustion (SHC). Exploration of the chemical space of sta

SUBMITTER: Srirangam S 

PROVIDER: S-EPMC12616685 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature