The oxidation mechanism investigation of benzene catalyzed by palladium nanoparticle: A ReaxFF molecular dynamics
Mingrui Wei, Sheng Wu, Qian Mao, Yun Wang, Guanlun Guo, Dongju Zhang
Topics & Concepts
ReaxFFPalladiumCatalysisDehydrogenationChemistryOxygenBenzenePhotochemistryInorganic chemistrySootMetalOxideCatalytic oxidationMoleculeOrganic chemistryCombustionHydrogen bondCatalytic Processes in Materials ScienceAdvanced Chemical Physics StudiesFree Radicals and Antioxidants