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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2023
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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. |
format | Online Article Text |
id | pubmed-10366656 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | The Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
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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