Design of nanoscaled materials based on tetraoxa[8]circulene.

نویسندگان

  • Gleb V Baryshnikov
  • Boris F Minaev
  • Nataliya N Karaush
  • Valentina A Minaeva
چکیده

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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عنوان ژورنال:
  • Physical chemistry chemical physics : PCCP

دوره 16 14  شماره 

صفحات  -

تاریخ انتشار 2014