RSC Advances · 2015 · 46 citations · 38 references
Natural SciencesChemistryMaterials ScienceCatalysisFunctional MaterialsMaterials ChemistryCarbon NanomaterialsCatalytic MaterialsDensity Functional TheoryGraphene NanomaterialsSurface Functionalization Of NanomaterialsSurface ReactivityCarbon-based CatalystsDefects In Carbon NanomaterialsGrapheneGraphene CatalystsGraphene MaterialsGraphene Surface ChemistryGraphene-based MaterialsMethane
The influence of supporting materials, graphene and boron nitride sheets, on the reactivity of Fe and FeO active species have been unravelled by using a dispersion-corrected DFT (PBE-D2) method.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
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