Česky
English
Výbor pro spolupráci ČR se Spojeným ústavem jaderných výzkumů Přihlášení
Electronic properties of Bilayer Fullerene onions

Autor
Pinčák R., RNDr., PhD. SÚJV, ÚEF SAV
Smotlacha Jan, Ing. Ph.D. Fakulta jaderná a fyzikálně inženýrská ČVUT, SÚJV Dubna
et al.  různé instituce

Rok
2017

Časopis
Fullerenes Nanotubes and Carbon Nanostructures, 25 (10), 607-612

Web


Obsah
HOMO-LUMO gaps of the bilayer fullerene onions were investigated. For this purpose, HOMO and LUMO energies for the isolated fullerenes were calculated using the parameterization of the tight binding method with the Harrison-Goodwin modification. Then, by the consideration of the van der Waals interaction, the thermodynamical stability of possible combinations of the fullerene molecules was verified and the unstable forms were excluded. Next, the difference of the Fermi levels of the outer and inner shells was calculated by the consideration of the hybridization of the orbitals by using the geometric parameters. The results were obtained by the combination of these calculations.

Příklad citace článku:
R. Pinčák, J. Smotlacha, . et al., "Electronic properties of Bilayer Fullerene onions", Fullerenes Nanotubes and Carbon Nanostructures, 25 (10), 607-612 (2017)