RT info:eu-repo/semantics/article T1 Gaussian Curvature Effects on Graphene Quantum Dots A1 Huerta Sainz, Sergio de la A1 Ballesteros Castañeda, Ángel A1 Cordero Tejedor, Nicolás A. K1 Graphene K1 Gaussian curvature K1 Quantum revival K1 DFT K1 Pseudo-magnetic field K1 Phase transition K1 Física K1 Physics AB In the last few years, much attention has been paid to the exotic properties that graphenenanostructures exhibit, especially those emerging upon deforming the material. Here we presenta study of the mechanical and electronic properties of bent hexagonal graphene quantum dotsemploying density functional theory. We explore three different kinds of surfaces with Gaussiancurvature exhibiting different shapes—spherical, cylindrical, and one-sheet hyperboloid—used tobend the material, and several boundary conditions regarding what atoms are forced to lay onthe chosen surface. In each case, we study the curvature energy and two quantum regenerationtimes (classic and revival) for different values of the curvature radius. A strong correlation betweenGaussian curvature and these regeneration times is found, and a special divergence is observed forthe revival time for the hyperboloid case, probably related to the pseudo-magnetic field generated bythis curvature being capable of causing a phase transition. PB MDPI YR 2022 FD 2022-12 LK http://hdl.handle.net/10259/7558 UL http://hdl.handle.net/10259/7558 LA eng NO 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. DS Repositorio Institucional de la Universidad de Burgos RD 29-mar-2024