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Propriedades eletrônicas e estruturais de impureza substitucional de silício em nanotubos de BC2N
(Universidade Federal de Santa Maria, 2008-12-10)
Spin polarized density functional theory (SP-DFT) is used to investigate the incorporation of substitutional Si atoms in the zigzag (5,0) and in the armchair (3,3) BC2N nanotubes (NTs). Our results show that the Si impurities ...
Estudo da deformação espontânea em nanotubos de BCN e suas propriedades eletrônicas
(Universidade Federal de Santa Maria, 2011-12-09)
The amazing properties of carbon nanotubes (such as good flexibility while high mechanical strength) technologies and their applications motivate research in this area. Following the successful synthesis of carbon nanotubes, ...
Estrutura eletrônica de folhas de C e BN com empilhamento de Fibonacci
(Universidade Federal de Santa Maria, 2011-12-09)
In this monograph we study the electronic properties of anexisting theoretical material consisting of shuts of boron nitride type honeycomb, also known by hBN, interspersed with graphene sheets in order to respect a Fibonacci ...