2026-04-22T20:18:45Zhttps://riubu.ubu.es/oai/request

oai:riubu.ubu.es:10259/75582023-12-19T09:12:58Zcom_10259.4_2557com_10259_5086com_10259_2604com_10259.4_2527col_10259.4_2558col_10259.4_2528

Huerta Sainz, Sergio de la Ballesteros Castañeda, Ángel Cordero Tejedor, Nicolás A. 2023-03-20T08:25:34Z 2023-03-20T08:25:34Z 2022-12 http://hdl.handle.net/10259/7558 10.3390/nano13010095 2079-4991 In the last few years, much attention has been paid to the exotic properties that graphene nanostructures exhibit, especially those emerging upon deforming the material. Here we present a study of the mechanical and electronic properties of bent hexagonal graphene quantum dots employing density functional theory. We explore three different kinds of surfaces with Gaussian curvature exhibiting different shapes—spherical, cylindrical, and one-sheet hyperboloid—used to bend the material, and several boundary conditions regarding what atoms are forced to lay on the chosen surface. In each case, we study the curvature energy and two quantum regeneration times (classic and revival) for different values of the curvature radius. A strong correlation between Gaussian curvature and these regeneration times is found, and a special divergence is observed for the revival time for the hyperboloid case, probably related to the pseudo-magnetic field generated by this curvature being capable of causing a phase transition. This work was supported by the Regional Government of Castilla y León (Junta de Castilla y León), by the Ministry of Science and Innovation MICIN (grant PGC2018-097831-B-I00) and by the European Union NextGenerationEU/PRTR. application/pdf eng MDPI Nanomaterials. 2022, V. 13, n. 1, 95 https://doi.org/10.3390/nano13010095 info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-097831-B-I00/ES/FENOMENOS CRITICOS, SIMETRIA Y FASES TOPOLOGICAS EN SISTEMAS CUANTICOS/ Atribución 4.0 Internacional http://creativecommons.org/licenses/by/4.0/ info:eu-repo/semantics/openAccess Graphene Gaussian curvature Quantum revival DFT Pseudo-magnetic field Phase transition Física Physics Gaussian Curvature Effects on Graphene Quantum Dots info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Nanomaterials 13 1