石墨烯吸附理论中的表面二聚体模型

S. Davydov, A. Lebedev, O. Posrednik
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引用次数: 0

摘要

提出了吸附原子与表面底物原子通过共价键偶联形成表面二聚体的模型。该模型用于计算二聚体原子之间以及二聚体与石墨烯衬底之间的电荷转移。深入研究了库仑和电子-声子相互作用对电荷转移的影响。研究了原子间偶极-偶极排斥和交换相互作用的作用。简要讨论了外延石墨烯上的吸附。
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Surface Dimer Model in the Theory of Adsorption on Graphene
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 inter-adatoms dipole-dipole repulsion and exchange interactions are examined. Adsorption on epitaxial graphene is briefly discussed.
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