Tight Binding Studies on The Electronic Structure of Toroidal Carbon Nanoscrolls

Abstract:

Based on the tight-binding model of π electrons which are relevant to sp2 hybridization of carbon atomic orbitals, and restricting k by periodic boundary condition, the model and electronic structure of toroidal carbon nanoscrolls are constructed and analyzed. The results show that the electronic structure of toroidal carbon nanoscrolls is intimately related to its geometric structure, so carbon nanoscrolls can be modified as metallic or semi-conducting materials by controlling its chirality、structural parameters and toroid perimeter.