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

Our work investigates the structural stability of a [Formula: see text] 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 ar...

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Detalles Bibliográficos
Autores principales: Zhu, Feiyu, Zou, Yanbo, Lu, Junzhe, Wei, Jie, Zhu, Hengjiang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2023
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10558355/
https://www.ncbi.nlm.nih.gov/pubmed/37809672
http://dx.doi.org/10.1016/j.heliyon.2023.e19382
Descripción
Sumario:Our work investigates the structural stability of a [Formula: see text] 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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