Siberian Federal University 
- Issue
- Journal of Siberian Federal University. Chemistry. 2008 1 (3)
- Authors
- Kuzubov, Alexander A.; Raimova, Maria A.; Serjantova, Maria V.; Kozhevnikova, Tanya A.; Fedorov, Alexander S.
- Contact information
- Alexander A. Kuzubova, Maria A. Raimova, Maria V. Serjantova, Tanya A. Kozhevnikova, e-mail: ; Alexander S. Fedorov: Institute of Physics, SB RAS, Akademgorodok, Krasnoyarsk, 660036 Russia
- Keywords
- quantum chemistry; nanotubes; chemisorption of hydrogen; hydrogen energy
- Abstract
The dissociative chemisorption of hydrogen on the external and internal surfaces of MgB2 nanotubes is investigated by the ab-initio DFT method. It was shown that this material may be effective sorbent of hydrogen for the hydrogen energy industry.
- Pages
- 242-248
- Paper at repository of SibFU
- https://elib.sfu-kras.ru/handle/2311/835
Journal of Siberian Federal University. Chemistry / Theoretical Study of Dissociative Hydrogen Chemisorption on MgB2 Nanotubes
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