Aminated Graphene Nanomesh: Theoretical and Experimental Insights into Process of Decorating, Topology and Electron Properties
Olga E. Glukhova, Maxim K. Rabchinskii, Svyatoslav D. Saveliev, Demid A. Kirilenko, Pavel V. Barkov
Abstract
The physicochemical nature of the amino group NH2’s landing on the basal plane of the graphene and on the edge atoms of the graphene nanomesh was revealed. The mechanism of covalent binding between the NH2 groups and the carbon atoms of the graphene and the GNM was discovered in silico by the SCC DFTB method. The maximum amount ratio of the amino groups to carbon atoms equaled 4.8% for GNM and 4.6% for the basal plane. The established values of the concentration and the trend of change in the work function of electrons are experimentally confirmed.
Topics & Concepts
NanomeshGrapheneBasal planeCarbon fibersMaterials scienceGraphyneElectronTopology (electrical circuits)Chemical physicsNanotechnologyWork functionComputational chemistryChemistryCrystallographyPhysicsComposite materialComposite numberQuantum mechanicsMathematicsLayer (electronics)CombinatoricsGraphene research and applicationsGraphene and Nanomaterials ApplicationsAdvancements in Battery Materials