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2008 | 6 | 1 | 105-108
Tytuł artykułu

Theoretical study of NO3− interacting with carbon nanotube

Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
This paper deals with quantum mechanical interaction of no 3− with (5,5) and (8,0) swcnts. To perform this we have made an ab initio calculation based on the density functional theory. In these framework the electronic density plays a central role and it was obtained of a self-consistent field form. It was observed through binding energy that NO3− molecule interacts with each nanotube in a physisorption regime. We propose these swcnts as a potential filter device due to reasonable interaction with NO3− molecule. Besides this type of filter could be reusable, therefore after the filtering, the swcnts could be separated from NO3− molecule.
Wydawca

Czasopismo
Rocznik
Tom
6
Numer
1
Strony
105-108
Opis fizyczny
Daty
wydano
2008-03-01
online
2008-03-26
Twórcy
  • Departamento de Física, Universidade Federal do Maranhao, Campus do Bacanga, 65080-580, Sao Luis, MA, Brazil, sguerini@ufma.br
  • Departamento de Física, Universidade Federal do Maranhao, Campus do Bacanga, 65080-580, Sao Luis, MA, Brazil
autor
  • Departamento de Física, Universidade Federal do Maranhao, Campus do Bacanga, 65080-580, Sao Luis, MA, Brazil
  • Departamento de Física, Universidade Federal do Ceara, Centro de Ciencias, Caixa Postal 6030, Campus do Pici, 60455-760, Fortaleza, CE, Brazil
autor
  • Departamento de Física, Universidade Federal do Ceara, Centro de Ciencias, Caixa Postal 6030, Campus do Pici, 60455-760, Fortaleza, CE, Brazil
Bibliografia
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Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11534-008-0038-9
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