A DFT study of graphene-FeNx (x = 4, 3, 2, 1) catalysts for acetylene hydrochlorination
Xuening Zhou, Lihua Kang
Topics & Concepts
AcetyleneGrapheneCatalysisDensity functional theoryNoble metalAdsorptionBasis setHydrogenInorganic chemistryMaterials scienceChemistryDispersion (optics)MetalPhotochemistryPhysical chemistryComputational chemistryNanotechnologyOrganic chemistryOpticsPhysicsGraphene research and applicationsCatalytic Processes in Materials ScienceAdvancements in Battery Materials