Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/58011
Type: Artigo
Title: Thermal expansion behavior of holes in graphene nanomeshes
Author: Mostério, Newton C. B.
Fonseca, Alexandre F.
Abstract: The thermal expansion of a hole, in a planar system, follows the same trend as the thermal expansion of the whole system, i.e., the hole expands (contracts) if the material expands (contracts) under thermal excitation. At nanoscale, this phenomenon has not been studied so far. Here, using tools of classical molecular dynamics simulations, we show that graphene nanomeshes (GNMs) behave oppositely: While the whole structure contracts (expands), the nanoholes expand (contract) under thermal excitation. We propose and test a simple mechanism to describe this unexpected behavior in terms of out-of-plane vibrations of the atoms close to and far from the edges of the holes. This mechanism allows us to see that, contrary to usual planar systems, this behavior comes from nonuniform thermal expansion along the structure. Although the thermal expansion of holes in GNMs is contrary to the classical prediction, we verify that the thermal expansion of the whole GNM structure is the same as that of pristine graphene.
The thermal expansion of a hole, in a planar system, follows the same trend as the thermal expansion of the whole system, i.e., the hole expands (contracts) if the material expands (contracts) under thermal excitation. At nanoscale, this phenomenon has not been studied so far. Here, using tools of classical molecular dynamics simulations, we show that graphene nanomeshes (GNMs) behave oppositely: While the whole structure contracts (expands), the nanoholes expand (contract) under thermal excitation. We propose and test a simple mechanism to describe this unexpected behavior in terms of out-of-plane vibrations of the atoms close to and far from the edges of the holes. This mechanism allows us to see that, contrary to usual planar systems, this behavior comes from nonuniform thermal expansion along the structure. Although the thermal expansion of holes in GNMs is contrary to the classical prediction, we verify that the thermal expansion of the whole GNM structure is the same as that of pristine graphene.
Subject: Grafeno
Expansão (Calor)
Membranas de grafeno
Country: Estados Unidos
Editor: American Physical Society
Citation: Physical Review B. Amer Physical Soc, v. 89, n. 19, 2014.
Rights: aberto
Identifier DOI: 10.1103/PhysRevB.89.195437
Address: https://journals.aps.org/prb/abstract/10.1103/PhysRevB.89.195437
Date Issue: 2014
Appears in Collections:IFGW - Artigos e Outros Documentos

Files in This Item:
File SizeFormat 
000336752600007.pdf2.22 MBAdobe PDFView/Open


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.