Design of nanoscaled materials based on tetraoxa[8]circulene
Glib BaryshnikovBohdan Khmelnytsky National University, Cherkassy, 18031, Ukraine. [email protected] [email protected]Boris F. MinaevBohdan Khmelnytsky National University, Cherkassy, UkraineNataliya Karaush‐KarmazinBohdan Khmelnytsky National University, Cherkassy, UkraineВ. А. МинаеваBohdan Khmelnytsky National University, Cherkassy, Ukraine
2014en
ABI
Annotatsiya
Nanotubes and two-dimensional sheet-like compounds containing tetraoxa[8]circulene core units are theoretically predicted. The large cavities with a diameter of 6 Å in the 2D sheets could be useful for hydrogen storage. The designed compounds are predicted to adsorb strongly in the visible region and to be a promising material for nanophotonics because of their electron-donor properties (p-type semiconductors).
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