Theoretical study on dry reforming of methane catalyzed by Cu12M (M = Cu, Fe, Co, Ni) core-shell bimetallic clusters
Lianyang Zhang, Yue Meng, Jianming Yang, Hui Shen, Chunfang Yang, Bo Xie, Shengjie Xia
Topics & Concepts
NanoclustersBimetallic stripCatalysisCarbon dioxide reformingDensity functional theoryCluster (spacecraft)Atom (system on chip)MethaneChemistryBinding energyMulliken population analysisPhysical chemistryCharge densityMaterials scienceComputational chemistryNanotechnologySyngasAtomic physicsOrganic chemistryProgramming languageEmbedded systemQuantum mechanicsPhysicsComputer scienceCatalysts for Methane ReformingCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions