Density functional theory study of CH4 dissociation and C C coupling on W-terminated WC(0001) surface
Ningjing Luo, Zhufeng Hou, Guoliang Chai
Topics & Concepts
Density functional theoryDehydrogenationDissociation (chemistry)van der Waals forceMaterials scienceAdsorptionCatalysisSurface energyTungstenPhysical chemistryComputational chemistryChemistryMetallurgyMoleculeComposite materialOrganic chemistryBiochemistryCatalytic Processes in Materials ScienceCatalysts for Methane ReformingCatalysis and Oxidation Reactions