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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Eliseeva N. S., Krasnov P. O., Tomilin F. N., Fedorov A. S., Lykhin A. O.
Заглавие : Theoretical investigation of the atomic and electronic structure of LixBC3 intercalated compounds
Место публикации : J. Exp. Theor. Phys.: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 114, Is. 6. - P.1018-1021. - ISSN 1063-7761, DOI 10.1134/S1063776112040103
Примечания : Cited References: 23
Предметные рубрики: INITIO MOLECULAR-DYNAMICS
BC3
TRANSITION
CARBON
Аннотация: LixBC3 intercalated compounds with various configurations are studied for their possible application as electrode materials for lithium current sources. For this purpose, the band structure and the density of states were calculated for each structure, and energy stability and possible deformations due to a change in the unit cell volume during intercalation are investigated.
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