Photoluminescence spectrum using DFT for double-walled carbon nanotubes with metallic constituents

A theoretical study of the photoluminescence (PL) of double-walled carbon nanotubes (DWCNTs) using density functional theory (DFT) theory is reported in this work. The DWCNTs are of the armchair/armchair type and the structures studied have the arrangements (3,3)/(2,2), (8,8)/(4,4), (12,12)/(6,6), (...

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Veröffentlicht in:	Journal of molecular modeling 2019-09, Vol.25 (9), p.273-8, Article 273
Hauptverfasser:	Victoria, A. P. Rodríguez, de la Luz, A. D. Hernández, Juárez, Javier Martínez, Espinosa-Torres, Néstor David, Robles-Águila, M. J., López, J. A. Luna, Juárez-Díaz, G.
Format:	Artikel
Sprache:	eng
Schlagworte:	Characterization and Evaluation of Materials Chemistry Chemistry and Materials Science Computer Appl. in Life Sciences Computer Applications in Chemistry Constituents Curvature Density functional theory Electronic structure Mathematical analysis Molecular Medicine Multi wall carbon nanotubes Original Paper Photoluminescence Single wall carbon nanotubes Theoretical and Computational Chemistry
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