Effect of active site and charge transfer on methane dehydrogenation over different Co doped Ni surfaces by density functional theory
Zhiliang Ou, Jingyu Ran, Juntian Niu, Zhonghui Zhang, Tao Deng, Ziqiang He, Changlei Qin
Topics & Concepts
DehydrogenationBimetalCatalysisAdsorptionDensity functional theoryMethaneDopingChemistryActive siteMaterials scienceInorganic chemistryPhotochemistryChemical engineeringPhysical chemistryComputational chemistryOrganic chemistryEngineeringOptoelectronicsCatalysts for Methane ReformingCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions