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A DFT study of graphene-FeNx (x = 4, 3, 2, 1) catalysts for acetylene hydrochlorination

Xuening Zhou, Lihua Kang

2021Colloids and Surfaces A Physicochemical and Engineering Aspects17 citationsDOI

Topics & Concepts

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