A combined computational and experimental study of methane activation during oxidative coupling of methane (OCM) by surface metal oxide catalysts
Daniyal Kiani, Sagar Sourav, Israel E. Wachs, Jonas Baltrušaitis
Abstract
The experimentally validated computational models developed herein, for the first time, show that Mn-promotion does not necessarily enhance the activity of the surface Na 2 WO 4 catalytic active sites for CH 4 heterolytic dissociation during OCM.
Topics & Concepts
HeterolysisOxidative coupling of methaneCatalysisMethaneDissociation (chemistry)OxideMetalChemistryCoupling (piping)Materials sciencePhotochemistryPhysical chemistryOrganic chemistryMetallurgyCatalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsCatalysts for Methane Reforming