| 초록 |
We have systematically investigated the change of band gaps of Transition Metal Dichalcogenides(TMDCs) controlled by variables, the elements of transition metals and dichalcogenides, structural phases and under external electrical field. We discussed transition metal dichalcogenides(TMDCs) of formula MX2, where M is a transition metal atom (Mo, W, or Ni) and X is a chalcogen(S, Se, or Te). We also considered structural phases of TMDCs and checked the possibility of structural changes of TMDCs through their energy stability. Plus, we assumed that the external electrical field induces charge transfer to TMDCs and embedded organic molecules. So, we mimicked charge accumulation and calculated several charge-assigned models of TMDCs. In this study, we find a variety of electronic properties including metals, insulators and semiconductors with direct and indirect band gaps. Our results can help to acquire the finite materials of appropriate band gaps controlled by several variables. These new materials, atomically thin and mechanically, thermally and electronically stable, can be expected to play a fundamental role in future of nanoelectronics and optoelectronics. |
