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Tuning the conductance of carbon rings with impurities and electric fields

We explore two mechanisms to tune the electronic conductance of carbon atom rings, namely, substitutional impurities and in-plane external electric fields. First-principles calculations and a tight-binding approach are used to model the systems. Two bond configurations are studied, cumulenic and pol...

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Detalles Bibliográficos
Autores principales: Rojas, Carlos, León, A., Pacheco, M., Chico, Leonor, Orellana, P. A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10366656/
https://www.ncbi.nlm.nih.gov/pubmed/37497092
http://dx.doi.org/10.1039/d3ra03297c
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author Rojas, Carlos
León, A.
Pacheco, M.
Chico, Leonor
Orellana, P. A.
author_facet Rojas, Carlos
León, A.
Pacheco, M.
Chico, Leonor
Orellana, P. A.
author_sort Rojas, Carlos
collection PubMed
description We explore two mechanisms to tune the electronic conductance of carbon atom rings, namely, substitutional impurities and in-plane external electric fields. First-principles calculations and a tight-binding approach are used to model the systems. Two bond configurations are studied, cumulenic and polyynic, which can be relevant depending on the number of carbon atoms in the ring. We find that both impurity substitution and electric field mechanisms allow for modifying the electronic spectrum and transport characteristics. Interestingly, cumulenic and polyynic carbon rings present a different response to these perturbations, which can also be a way to elucidate the bond nature of these structures.
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spelling pubmed-103666562023-07-26 Tuning the conductance of carbon rings with impurities and electric fields Rojas, Carlos León, A. Pacheco, M. Chico, Leonor Orellana, P. A. RSC Adv Chemistry We explore two mechanisms to tune the electronic conductance of carbon atom rings, namely, substitutional impurities and in-plane external electric fields. First-principles calculations and a tight-binding approach are used to model the systems. Two bond configurations are studied, cumulenic and polyynic, which can be relevant depending on the number of carbon atoms in the ring. We find that both impurity substitution and electric field mechanisms allow for modifying the electronic spectrum and transport characteristics. Interestingly, cumulenic and polyynic carbon rings present a different response to these perturbations, which can also be a way to elucidate the bond nature of these structures. The Royal Society of Chemistry 2023-07-25 /pmc/articles/PMC10366656/ /pubmed/37497092 http://dx.doi.org/10.1039/d3ra03297c Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Rojas, Carlos
León, A.
Pacheco, M.
Chico, Leonor
Orellana, P. A.
Tuning the conductance of carbon rings with impurities and electric fields
title Tuning the conductance of carbon rings with impurities and electric fields
title_full Tuning the conductance of carbon rings with impurities and electric fields
title_fullStr Tuning the conductance of carbon rings with impurities and electric fields
title_full_unstemmed Tuning the conductance of carbon rings with impurities and electric fields
title_short Tuning the conductance of carbon rings with impurities and electric fields
title_sort tuning the conductance of carbon rings with impurities and electric fields
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10366656/
https://www.ncbi.nlm.nih.gov/pubmed/37497092
http://dx.doi.org/10.1039/d3ra03297c
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