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

doi:10.1016/j.heliyon.2023.e19382

The structural stability, electronic properties regulation and feasibility of controllable preparation of a C_0.5/(BN)_0.5 heterojunction single-walled nanotube

Heliyon. 2023 Aug 25;9(9):e19382. doi: 10.1016/j.heliyon.2023.e19382. eCollection 2023 Sep.

Authors

Feiyu Zhu¹, Yanbo Zou¹, Junzhe Lu¹, Jie Wei², Hengjiang Zhu¹

Affiliations

¹ Xinjiang Key Laboratory for Luminescence Minerals and Optical Functional Materials, School of Physics and Electronic Engineering, Xinjiang Normal University, Urumqi, Xinjiang 830054, China.
² Laboratory and Equipment Management Division, Xinjiang Normal University, Urumqi, Xinjiang 830054, China.

Abstract

Our work investigates the structural stability of a $C_{0.5} / {(BN)}_{0.5}$ 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.

Keywords: Controllable preparation; Electronic property regulation; Heterojunction single-walled nanotubes; Structural stability.