Methane dehydrogenation on 3d 13-atom transition-metal clusters: A density functional theory investigation combined with Spearman rank correlation analysis
Karla F. Andriani, Johnatan Mucelini, Juarez L. F. Da Silva
Topics & Concepts
DehydrogenationDensity functional theoryChemistryTransition metalAtom (system on chip)AdsorptionAb initioComputational chemistryPhysical chemistryOrganic chemistryCatalysisEmbedded systemComputer scienceCatalysis and Oxidation ReactionsCatalytic Processes in Materials ScienceAdvanced Chemical Physics Studies