Electronic properties of bilayer fullerene onions

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21340%2F17%3A00321699" target="_blank" >RIV/68407700:21340/17:00321699 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1080/1536383X.2017.1356825" target="_blank" >http://dx.doi.org/10.1080/1536383X.2017.1356825</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1080/1536383X.2017.1356825" target="_blank" >10.1080/1536383X.2017.1356825</a>

Result language
angličtina
Original language name
Electronic properties of bilayer fullerene onions
Original language description
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 parametrization of the tight binding method with the Harrison-Goodwin modication. 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.
Czech name
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Czech description
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Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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