Surface Dimer Model in the Theory of Adsorption on Graphene
Abstract
Model of the surface dimer formed by coupling adsorbing atom and surface substrate atom by covalent bond is proposed. This model is used for the calculations of the charge transfers between dimer’s atoms and between dimer and graphene substrate. Effects of Coulomb and electron-phonon interaction on charge transfers are thoroughly studied. Role of interadatoms dipole-dipole repulsion and exchange interactions are examined. Adsorption on epitaxial graphene is briefly discussed.
Keywords
Charge transfer; Coulomb interaction; Electron-phonon coupling; Dipole repulsion and exchange interactions of adatoms; Epitaxial grapheneFoundings
Ministry of Science and Higher Education of the Russian Federation: project No. 07515-2021-1349
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