Gaussian Curvature Effects on Graphene Quantum Dots.

Content Provider	Europe PMC
Author	de-la-Huerta-Sainz, Sergio Ballesteros, Angel Cordero, Nicolás A.
Editor	Giubileo, Filippo
Copyright Year	2022
Abstract	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.
Journal	Nanomaterials (Basel, Switzerland)
Volume Number	13
PubMed Central reference number	PMC9824217
Issue Number	1
PubMed reference number	36616005
e-ISSN	20794991
DOI	10.3390/nano13010095
Language	English
Publisher	MDPI
Publisher Date	2022-12-25
Access Restriction	Open
Rights License	Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). © 2022 by the authors.
Subject Keyword	graphene Gaussian curvature quantum revival DFT pseudo-magnetic field phase transition
Content Type	Text
Resource Type	Article
Subject	Chemical Engineering Materials Science