The structural stability, electronic properties regulation and feasibility of controllable preparation of a C0.5/(BN)0.5 heterojunction single-walled nanotube.
Heliyon
; 9(9): e19382, 2023 Sep.
Article
em En
| MEDLINE
| ID: mdl-37809672
ABSTRACT
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.
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Base de dados:
MEDLINE
Idioma:
En
Revista:
Heliyon
Ano de publicação:
2023
Tipo de documento:
Article
País de afiliação:
China