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(10, 10) Single walled carbon nanotube consisted of chemisorbed oxygen atoms as a promising supercapacitor electrode material: A first principles study

Targholi, Ehsan ; Molaei, Masoumeh ; Mousavi-Khoshdel, S. Morteza

Chemical physics letters, 2016-11, Vol.664, p.96-100 [Periódico revisado por pares]

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Título:
(10, 10) Single walled carbon nanotube consisted of chemisorbed oxygen atoms as a promising supercapacitor electrode material: A first principles study
Autor: Targholi, Ehsan ; Molaei, Masoumeh ; Mousavi-Khoshdel, S. Morteza
Assuntos: Ab-initio study ; Chemisorption ; Quantum capacitance ; Supercapacitors
É parte de: Chemical physics letters, 2016-11, Vol.664, p.96-100
Descrição: [Display omitted] •Presentation of a full figure of various possible structures of atomic oxygen chemisorption on (10, 10) carbon nanotube.•The investigation of changes of electronic structures and achieved electrode materials efficiency.•The effect of different concentrations and different chemisorption configurations on quantum capacitances. The effects of atomic oxygen chemisorption on the electronic structures and quantum capacitance of (10, 10) CNT have been studied in this article. The results indicated that the chemisorption on bonds aligned with nanotube axis is more favorable than other position. The most efficient configuration for enhancing quantum capacitance is the nanotube with oxygen atoms chemisorbed on axial bonds. Specifically, in water stability range, the quantum capacitance of (10, 10) CNT before and after chemisorption of six oxygen atoms (aligned with nanotube axis) were found to be 222.6 (anode) −117.6 (cathode) and 306.9 (anode) −217.2 (cathode) F/g, respectively.
Editor: Elsevier B.V
Idioma: Inglês

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