Design of nanoscaled materials based on tetraoxa[8]circulene

Phys Chem Chem Phys. 2014 Apr 14;16(14):6555-9. doi: 10.1039/c3cp55154g. Epub 2014 Mar 5.

Abstract

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).