Carbon Nitrogen Nanostructures
Mostrando 1-4 de 4 artigos, teses e dissertações.
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1. Conformational analysis and electronic structure of chiral carbon and carbon nitride nanotubes
Geometry and electronic structure of chiral carbon and carbon nitride (CNx) nanotubes were investigated through quantum chemical methods. Finite nanotubes with diameters ranging from 5 to 10 Å and containing up to 500 atoms were considered. CNx structures were built through random substitution of carbon atoms by nitrogen. The molecules were fully optimized
Materials Research. Publicado em: 30/09/2011
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2. Comparative study of BxNyCz nanojunctions fragments
Theoretical analysis of formation energy and geometry was done to compare the relative stabilities of modified carbon nanostructures representative fragments. Structure and energies of formation were calculated at semiempirical level of theory. Depending of B-N pair localization on the molecular structures the formation enthalpy decreases. B-N substitution i
Materials Research. Publicado em: 12/08/2011
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3. Estudo de Impurezas de Carbono em Nanoestruturas de BN
In this work, we performed an analysis of the structural and electronic stability of nanostructures of Boron Nitride (BN), such as layers, tubes and cones, when doped with Carbon, through first-principles calculations as implemented in code SIESTA. We found that substitutional doping of Carbon for either a single Boron or a single Nitrogen atom produces sign
Publicado em: 2008
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4. Preparação e caracterização de nanoestruturas de carbono contendo nitrogenio / Synthesis and characterization of carbon nanostructires containing nitrogen
Nesta tese são apresentados os efeitos nas propriedades estruturais, eletrônicas e de emissão eletrônica por efeito de campo elétrico induzidos pela incorporação de nitrogênio em nanoestruturas de carbono. As nanoestruturas de carbono contendo nitrogênio foram preparadas por pulverização catódica (sputtering) de um alvo de grafite assistido, ou n
Publicado em: 2007