On the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes

The vibrational properties of fullerenes are incompletely understood, particularly with respect to the effect of molecular size. Here the vibrational density of states of fullerenes is shown by density functional theory to converge smoothly to that of graphene, hindered only by the presence of frequ...

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Autores principales: Jesús N. Pedroza-Montero, Ignacio L. Garzón, Huziel E. Sauceda
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Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/04cb0f0b7b9c4e42bb0d0bc2ccc67242
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spelling oai:doaj.org-article:04cb0f0b7b9c4e42bb0d0bc2ccc672422021-12-02T16:14:44ZOn the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes10.1038/s42004-021-00540-z2399-3669https://doaj.org/article/04cb0f0b7b9c4e42bb0d0bc2ccc672422021-07-01T00:00:00Zhttps://doi.org/10.1038/s42004-021-00540-zhttps://doaj.org/toc/2399-3669The vibrational properties of fullerenes are incompletely understood, particularly with respect to the effect of molecular size. Here the vibrational density of states of fullerenes is shown by density functional theory to converge smoothly to that of graphene, hindered only by the presence of frequency compressed radial optic vibrations due to the pentagonal faces in the fullerene family.Jesús N. Pedroza-MonteroIgnacio L. GarzónHuziel E. SaucedaNature PortfolioarticleChemistryQD1-999ENCommunications Chemistry, Vol 4, Iss 1, Pp 1-8 (2021)
institution DOAJ
collection DOAJ
language EN
topic Chemistry
QD1-999
spellingShingle Chemistry
QD1-999
Jesús N. Pedroza-Montero
Ignacio L. Garzón
Huziel E. Sauceda
On the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes
description The vibrational properties of fullerenes are incompletely understood, particularly with respect to the effect of molecular size. Here the vibrational density of states of fullerenes is shown by density functional theory to converge smoothly to that of graphene, hindered only by the presence of frequency compressed radial optic vibrations due to the pentagonal faces in the fullerene family.
format article
author Jesús N. Pedroza-Montero
Ignacio L. Garzón
Huziel E. Sauceda
author_facet Jesús N. Pedroza-Montero
Ignacio L. Garzón
Huziel E. Sauceda
author_sort Jesús N. Pedroza-Montero
title On the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes
title_short On the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes
title_full On the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes
title_fullStr On the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes
title_full_unstemmed On the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes
title_sort on the forbidden graphene’s zo (out-of-plane optic) phononic band-analog vibrational modes in fullerenes
publisher Nature Portfolio
publishDate 2021
url https://doaj.org/article/04cb0f0b7b9c4e42bb0d0bc2ccc67242
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