- Tytuł:
- Dynamics of endohedral fullerene K+@C60 inside single walled carbon nanotube: MD simulation
- Autorzy:
-
Dawid, A.
Górny, K. - Powiązania:
- https://bibliotekanauki.pl/articles/1943225.pdf
- Data publikacji:
- 2009
- Wydawca:
- Politechnika Gdańska
- Tematy:
-
endo-fullerenes
doped C60
nanotubes
potassium ion
confined geometry - Opis:
- K+@C60 endohedral fullerenes inside armchair, zigzag and chiral nanotubes were simulated using the MD technique. The structure of the endohedral fullerene sample was estimated by calculating the radial distribution function. The angular and translational velocity autocorrelation functions and their Fourier transforms were also calculated. The frequency dependence of potassium ion vibrations in different nanotubes at room temperature was observed and discussed. A dependenci between the angular motion of endo-fullerenes and the nanotube chirality was found.
- Źródło:
-
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2009, 13, 1-2; 83-91
1428-6394 - Pojawia się w:
- TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
- Dostawca treści:
- Biblioteka Nauki
Artykuł