Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/241820
Type: Artigo
Title: Carbon-based nanostructures derived from bilayer graphene with zero thermal expansion behavior
Author: Muniz, Andre R.
Fonseca, Alexandre F.
Abstract: Low or zero thermal expansion (ZTE) materials aresuitable for applications requiring low dimensional changes tinder large temperatrire variations. Using density functional theoty calculations and classical molecular dynartrits, simulations, we demonstrate that tailoring the density of covalent carbon-carbon interlayer bonds in bilayer,graphene tunes its thermal expansion coefficient from negative to positive values at room temperature and, most exciting, causes it to exhibit ZTE behavior in a wide range of temperatures.
Low or zero thermal expansion (ZTE) materials are suitable for applications requiring low dimensional changes under large temperature variations. Using density functional theory calculations and classical molecular dynamics simulations, we demonstrate that tailoring the density of covalent carbon–carbon interlayer bonds in bilayer graphene tunes its thermal expansion coefficient from negative to positive values at room temperature and, most exciting, causes it to exhibit ZTE behavior in a wide range of temperatures.
Subject: Funcionais de densidade
Grafeno
Dinâmica molecular
Country: Estados Unidos
Editor: American Chemical Society
Citation: Carbon-based Nanostructures Derived From Bilayer Graphene With Zero Thermal Expansion Behavior. Amer Chemical Soc, v. 119, p. 17458-17465 JUL-2015.
Rights: fechado
Identifier DOI: 10.1021/acs.jpcc.5b05602
Address: https://pubs.acs.org/doi/abs/10.1021%2Facs.jpcc.5b05602
Date Issue: 2015
Appears in Collections:IFGW - Artigos e Outros Documentos

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