C/（BN）异质结单壁纳米管的结构稳定性、电子性质调控及可控制备的可行性

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

作者信息

Zhu Feiyu, Zou Yanbo, Lu Junzhe, Wei Jie, Zhu Hengjiang

机构信息

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

Laboratory and Equipment Management Division, Xinjiang Normal University, Urumqi, Xinjiang 830054, China.

出版信息

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

DOI:10.1016/j.heliyon.2023.e19382

PMID:37809672

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10558355/

Abstract

Our work investigates the structural stability of a 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.

摘要

我们的工作通过比较结合能来研究异质结单壁纳米管的结构稳定性。系统地研究了能带结构、电子态密度以及带隙与间接-直接性质、管径和类型之间的调控关系。基于现有的实验和理论结果，对拼接过程进行动态模拟计算，以探索可控制备的可行性。