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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Nature Portfolio
2021
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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) |
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Chemistry QD1-999 |
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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 |
| work_keys_str_mv |
AT jesusnpedrozamontero ontheforbiddengrapheneszooutofplaneopticphononicbandanalogvibrationalmodesinfullerenes AT ignaciolgarzon ontheforbiddengrapheneszooutofplaneopticphononicbandanalogvibrationalmodesinfullerenes AT huzielesauceda ontheforbiddengrapheneszooutofplaneopticphononicbandanalogvibrationalmodesinfullerenes |
| _version_ |
1718384272326262784 |