First-Prinicples Study on Bc2n Layered Structures

As graphene is successful synthesized, it creates a window for the application of nanotechnology. The hexagonal boron nitride has similar planar structure with graphite and also can be rolled to be a nanotube. The 2D B-C-N ternary system has gradually attached much attention as the potential for being applied to the nanotechnology. The hexagonal boron nitride (h-BN) is an insulator, while graphite is a semimetal. The 2D B-C-N ternary phases are expected to exhibit as semiconductors and can be considered for applications to electronic and luminescent devices. The successful synthesized BC2N has encouraged researchers to explore the properties of the synthesis of the B-C-N ternary system. However, the stable phase of BC2N is still an open question, and need more investigation on it. In this project, the stable structure of 2D-BC2N will be carried out firstly, and the band structure and the electric properties will also be investigated

Project ID:PA9709-0795
External Project ID:NSC97-2112-M182-003