Theoretical study of small aromatic molecules adsorbed in pristine and functionalised graphene
Mariana Zancan Tonel, Ivana Zanella, Solange Binotto Fagan
Topics & Concepts
GrapheneAnilineMoleculeBenzeneAdsorptionAromaticityDensity functional theoryChemistryInteraction energyComputational chemistryPhenolBenzoic acidAb initioChemical physicsMaterials scienceOrganic chemistryNanotechnologyGraphene research and applicationsGraphene and Nanomaterials ApplicationsCarbon Nanotubes in Composites