First Principle Study on Electronic and Transport Properties of Finite-Length Nanoribbons and Nanodiscs for Selected Two-Dimensional Materials

Using the density functional theory, we calculate electronic states of various nanoribbons and nanodiscs formed from selected two-dimensional materials, such as graphene, silicene, and hexagonal boron nitride. The main objective of the analysis is a search for zero-energy states in such systems, whi...

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Detalles Bibliográficos
Autores principales: Jafari, Mirali, Dyrdał, Anna
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9000399/
https://www.ncbi.nlm.nih.gov/pubmed/35408625
http://dx.doi.org/10.3390/molecules27072228
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author Jafari, Mirali
Dyrdał, Anna
author_facet Jafari, Mirali
Dyrdał, Anna
author_sort Jafari, Mirali
collection PubMed
description Using the density functional theory, we calculate electronic states of various nanoribbons and nanodiscs formed from selected two-dimensional materials, such as graphene, silicene, and hexagonal boron nitride. The main objective of the analysis is a search for zero-energy states in such systems, which is an important issue as their presence indicates certain topological properties associated with chirality. The analysis is also supported by calculating transport properties.
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spelling pubmed-90003992022-04-12 First Principle Study on Electronic and Transport Properties of Finite-Length Nanoribbons and Nanodiscs for Selected Two-Dimensional Materials Jafari, Mirali Dyrdał, Anna Molecules Article Using the density functional theory, we calculate electronic states of various nanoribbons and nanodiscs formed from selected two-dimensional materials, such as graphene, silicene, and hexagonal boron nitride. The main objective of the analysis is a search for zero-energy states in such systems, which is an important issue as their presence indicates certain topological properties associated with chirality. The analysis is also supported by calculating transport properties. MDPI 2022-03-29 /pmc/articles/PMC9000399/ /pubmed/35408625 http://dx.doi.org/10.3390/molecules27072228 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Jafari, Mirali
Dyrdał, Anna
First Principle Study on Electronic and Transport Properties of Finite-Length Nanoribbons and Nanodiscs for Selected Two-Dimensional Materials
title First Principle Study on Electronic and Transport Properties of Finite-Length Nanoribbons and Nanodiscs for Selected Two-Dimensional Materials
title_full First Principle Study on Electronic and Transport Properties of Finite-Length Nanoribbons and Nanodiscs for Selected Two-Dimensional Materials
title_fullStr First Principle Study on Electronic and Transport Properties of Finite-Length Nanoribbons and Nanodiscs for Selected Two-Dimensional Materials
title_full_unstemmed First Principle Study on Electronic and Transport Properties of Finite-Length Nanoribbons and Nanodiscs for Selected Two-Dimensional Materials
title_short First Principle Study on Electronic and Transport Properties of Finite-Length Nanoribbons and Nanodiscs for Selected Two-Dimensional Materials
title_sort first principle study on electronic and transport properties of finite-length nanoribbons and nanodiscs for selected two-dimensional materials
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9000399/
https://www.ncbi.nlm.nih.gov/pubmed/35408625
http://dx.doi.org/10.3390/molecules27072228
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