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Article

Quantum Revivals in Curved Graphene Nanoflakes

1
Physics Department, Universidad de Burgos, E-09001 Burgos, Spain
2
International Research Center in Critical Raw Materials for Advanced Industrial Technologies (ICCRAM), Universidad de Burgos, E-09001 Burgos, Spain
3
Institute Carlos I for Theoretical and Computational Physics (IC1), E-18016 Granada, Spain
*
Author to whom correspondence should be addressed.
Academic Editor: Arthur P Baddorf
Nanomaterials 2022, 12(12), 1953; https://doi.org/10.3390/nano12121953
Received: 23 April 2022 / Revised: 1 June 2022 / Accepted: 3 June 2022 / Published: 7 June 2022
Graphene nanostructures have attracted a lot of attention in recent years due to their unconventional properties. We have employed Density Functional Theory to study the mechanical and electronic properties of curved graphene nanoflakes. We explore hexagonal flakes relaxed with different boundary conditions: (i) all atoms on a perfect spherical sector, (ii) only border atoms forced to be on the spherical sector, and (iii) only vertex atoms forced to be on the spherical sector. For each case, we have analysed the behaviour of curvature energy and of quantum regeneration times (classical and revival) as the spherical sector radius changes. Revival time presents in one case a divergence usually associated with a phase transition, probably caused by the pseudomagnetic field created by the curvature. This could be the first case of a phase transition in graphene nanostructures without the presence of external electric or magnetic fields. View Full-Text
Keywords: graphene; curvature; quantum revivals; DFT; phase transition graphene; curvature; quantum revivals; DFT; phase transition
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MDPI and ACS Style

de-la-Huerta-Sainz, S.; Ballesteros, A.; Cordero, N.A. Quantum Revivals in Curved Graphene Nanoflakes. Nanomaterials 2022, 12, 1953. https://doi.org/10.3390/nano12121953

AMA Style

de-la-Huerta-Sainz S, Ballesteros A, Cordero NA. Quantum Revivals in Curved Graphene Nanoflakes. Nanomaterials. 2022; 12(12):1953. https://doi.org/10.3390/nano12121953

Chicago/Turabian Style

de-la-Huerta-Sainz, Sergio, Angel Ballesteros, and Nicolás A. Cordero. 2022. "Quantum Revivals in Curved Graphene Nanoflakes" Nanomaterials 12, no. 12: 1953. https://doi.org/10.3390/nano12121953

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