Title :
Analysis of fullerenes C60 and C80 for hydrogen storage
Author :
Bedrina, Marina E. ; Vasiliev, Alexander A. ; Egorov, Nikolay V.
Author_Institution :
St.-Petersburg State Univ., St. Petersburg, Russia
fDate :
June 30 2014-July 4 2014
Abstract :
The calculations of fullerene C60 in different bases and the interaction of fullerene C60 and C80 with atoms of hydrogen by method DFT were performed. A different quantity of hydrogen molecules in the cavity of fullerenes, and a comparative analysis of the results were considered. The optimal amount of hydrogen molecules in the cavity of fullerenes were identified.
Keywords :
carbon; fullerenes; hydrogen storage; DFT method; fullerene cavity; fullerenes analysis; hydrogen atom; hydrogen molecule; hydrogen storage; Carbon; Cavity resonators; Computer simulation; Educational institutions; Electronic mail; Hydrogen; Nanotubes;
Conference_Titel :
Vacuum Electron Sources Conference (IVESC), 2014 Tenth International
Conference_Location :
St. Petersburg
Print_ISBN :
978-1-4799-5770-5
DOI :
10.1109/IVESC.2014.6891952
