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Title | New 1D and 2D Nanoscaled Materials Based on the Tetraoxa[8]circulene Monomer |
Authors |
Karaush, N.N.
Baryshnikov, G.V. Minaev, B.F. |
ORCID | |
Keywords |
Tetraoxa[8]circulene Density functional theory Nanotubes Hole/electron mobility Reorganization energy Cyclooctatetraene core Ambipolar semiconductors |
Type | Article |
Date of Issue | 2014 |
URI | http://essuir.sumdu.edu.ua/handle/123456789/37209 |
Publisher | Sumy State University |
License | Copyright not evaluated |
Citation | Proc. NAP 3, 01CBNM01 (2014) |
Abstract |
New one- and two-dimensional p-conjugated materials containing a tetraoxa[8]circulene monomer are theoretically predicted on the basis of density functional theory techniques. These novel materials are predicted to demonstrate a promising hole/electron mobility properties which are typical for the ambipolar organic semiconductors. Furthermore, the growth of p-conjugation determines the strong visible light absorption of the studied systems in a great contrast to the initial lack of color of the tetraoxa[8]circulene compound. The synthesis of these new organic p-conjugated materials is an important task because of their potential practical applications in optoelectronic devices. |
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File | Size | Format | Downloads |
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Karaush_Baryshnikov_Minaev.pdf | 684.55 kB | Adobe PDF | 10501424 |
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