The structural stability, electronic properties regulation and feasibility of controllable preparation of a C0.5/(BN)0.5 heterojunction single-walled nanotube.

Our work investigates the structural stability of a C0.5/(BN)0.5 heterojunction single-walled nanotube by comparing the binding energy. The energy band structure, electronic density of states and regulation relation between band gap and indirect-direct properties and tube diameter and type are systematically studied. Based on existing experimental and theoretical results, dynamic simulated calculating of the stitching process is carried out to explore the feasibility of controllable preparation.