Oxidative dehydrogenation of propane: Differences between N2O and O2 in the r…

Abstract. The role of vanadyl and peroxovanadate oxygen species in the oxidative dehydrogenation of propane (ODP) was analyzed by density functional theory (DFT). The dehydrogenation of C3H8 to C3H6 and the oxidation of C3H6 occurred over vanadyl oxygen of VOx species, yielding reduced VOx species. The vanadyl oxygen species were restored via reoxidation of reduced VOx species with O2 and N2O.…