Rational screening of single-atom-doped ZnO catalysts for propane dehydrogenation from microkinetic analysis
Fang Ma, Qingyu Chang, Qiang Yin, Zhi‐Jun Sui, Xinggui Zhou, De Chen, Yi‐An Zhu
Abstract
Descriptor-based microkinetic analysis is performed to screen single-atom-doped ZnO for PDH, and Mn<sub>1</sub>- and Cu<sub>1</sub>–ZnO prove to be good candidates.
Topics & Concepts
DehydrogenationPropaneCatalysisAtom (system on chip)DopingChemistryInorganic chemistryMaterials sciencePhysical chemistryOptoelectronicsOrganic chemistryComputer scienceEmbedded systemCatalysis and Oxidation ReactionsCatalytic Processes in Materials ScienceAdvanced Chemical Physics Studies