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Nanorolos de nitreto de boro = um estudo por dinâmica molecular clássica / Boron nitride nanoscrolls : a classical molecular dynamics study

Orientador: Douglas Soares Galvão / Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Física Gleb Wataghin / Made available in DSpace on 2018-08-15T20:36:10Z (GMT). No. of bitstreams: 1
Martins_EricPerim_M.pdf: 4738419 bytes, checksum: 1deb696f488f185162536d5284edd193 (MD5)
Previous issue date: 2010 / Abstract: In this work we report a study about the structural and dynamical properties of boron nitride nanoscrolls (BNNSs). BNNSs are nanostructures formed by rolling up boron nitride (BN) sheets into a spiral(papyrus)-like format.

Although carbon nanoscrolls (CNSs) have been observed experimentally synthesized using different techniques, up to this moment no experimental evidences for the existence of BNNSs have been reported.

We have carried out molecular dynamics simulations using the well known Universal Force Field (UFF) to investigate the stability and formation processes of BNNSs formed by rolling up BN layers of different sizes. Our results showed that stable structures can be formed with dynamics quite similar to the ones observed to CNSs. Possible synthetic routes to obtain BNNSs are also addressed / Mestrado / Física da Matéria Condensada / Mestre em Física

Identiferoai:union.ndltd.org:IBICT/oai:repositorio.unicamp.br:REPOSIP/277632
Date15 August 2018
CreatorsMartins, Eric Perim, 1985-
ContributorsUNIVERSIDADE ESTADUAL DE CAMPINAS, Galvão, Douglas Soares, 1961-, Fonseca, Alexandre Fontes da, Rodrigues, Varlei
Publisher[s.n.], Universidade Estadual de Campinas. Instituto de Física Gleb Wataghin, Programa de Pós-Graduação em Física
Source SetsIBICT Brazilian ETDs
LanguagePortuguese
Detected LanguageEnglish
Typeinfo:eu-repo/semantics/publishedVersion, info:eu-repo/semantics/masterThesis
Format62 f. : il., application/pdf
Sourcereponame:Repositório Institucional da Unicamp, instname:Universidade Estadual de Campinas, instacron:UNICAMP
Rightsinfo:eu-repo/semantics/openAccess

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