Carbon-Based Nanostructures Derived from Bilayer Graphene with Zero Thermal Expansion Behavior

Autor(es)

Muniz, Andre R. ^[1] ; Fonseca, Alexandre F. ^[2]

Afiliação do(s) autor(es)

^[1] Univ Fed Rio Grande do Sul, Dept Chem Engn, Porto Alegre, RS - Brazil

^[2] Univ Estadual Campinas, Dept Appl Phys, Campinas, SP - Brazil

• Tipo de documento: Artigo Científico
• Fonte: Journal of Physical Chemistry C; v. 119, n. 30, p. 17458-17465, JUL 30 2015.
• Citações Web of Science: 9

Resumo

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. (AU)

• Processo FAPESP: 12/10106-8 - Modelagem de materiais nanoestruturados de carbono
• Beneficiário: Alexandre Fontes da Fonseca
• Modalidade de apoio: Auxílio à Pesquisa - Regular
• Processo FAPESP: 13/10036-2 - Simulação computacional atomística de nanomateriais
• Beneficiário: Alexandre Fontes da Fonseca
• Modalidade de apoio: Bolsas no Exterior - Pesquisa