Structure of new sp2+sp3 hybrid carbon phases by means of alignmenting of armchair single-walled carbon nanotubes

E.A. Belenkov, M.I. Tingaev show affiliations and emails
Received 23 January 2015; Accepted 24 February 2015;
This paper is written in Russian
Citation: E.A. Belenkov, M.I. Tingaev. Structure of new sp2+sp3 hybrid carbon phases by means of alignmenting of armchair single-walled carbon nanotubes. Lett. Mater., 2015, 5(1) 15-19
BibTex   https://doi.org/10.22226/2410-3535-2015-1-15-19
Model investigations of new sp2+sp3 carbon phases that can be modeled as a result of partially alignmenting of armchair single-walled carbon nanotubes (SWNTs) using density functional theory (DFT) is performed. As a result of the simulation revealed that there are five stable structures with equivalent atom positions.Model investigations of new sp2+sp3 carbon phases that can be modeled as a result of partially alignmenting of armchair single-walled carbon nanotubes (SWNTs) using density functional theory (DFT) is performed. As a result of the simulation revealed that there are five stable structures with equivalent atom positions. Geometrically optimized structure and structural parameters of such phases were found.