The structural stability, electronic properties regulation and feasibility of controllable preparation of a C0.5/(BN)0.5 heterojunction single-walled nanotube
Feiyu Zhu,
Yanbo Zou,
Junzhe Lu,
Jie Wei,
Hengjiang Zhu
Affiliations
Feiyu Zhu
Xinjiang Key Laboratory for Luminescence Minerals and Optical Functional Materials, School of Physics and Electronic Engineering, Xinjiang Normal University, Urumqi, Xinjiang 830054, China
Yanbo Zou
Xinjiang Key Laboratory for Luminescence Minerals and Optical Functional Materials, School of Physics and Electronic Engineering, Xinjiang Normal University, Urumqi, Xinjiang 830054, China; Corresponding author.
Junzhe Lu
Xinjiang Key Laboratory for Luminescence Minerals and Optical Functional Materials, School of Physics and Electronic Engineering, Xinjiang Normal University, Urumqi, Xinjiang 830054, China; Corresponding author.
Jie Wei
Laboratory and Equipment Management Division, Xinjiang Normal University, Urumqi, Xinjiang 830054, China
Hengjiang Zhu
Xinjiang Key Laboratory for Luminescence Minerals and Optical Functional Materials, School of Physics and Electronic Engineering, Xinjiang Normal University, Urumqi, Xinjiang 830054, China
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.
