Theoretical investigation of the atomic and electronic structure of LixBC3 intercalated compounds

Описание

Тип публикации: статья из журнала

Год издания: 2012

Идентификатор DOI: 10.1134/S1063776112040103

Ключевые слова: Electronic structure, Lithium, Current sources, Density of state, Electrode material, Energy stability, Intercalated compounds, Theoretical investigations, Unit-cell volume, Lithium compounds

Аннотация: Li (x) BC3 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 ceПоказать полностьюll volume during intercalation are investigated.

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Издание

Журнал: JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS

Выпуск журнала: Vol. 114, Is. 6

Номера страниц: 1018-1021

ISSN журнала: 10637761

Место издания: NEW YORK

Издатель: MAIK NAUKA/INTERPERIODICA/SPRINGER

Персоны

  • Kuzubov A.A. (Siberian State Technological University)
  • Eliseeva N.S. (Siberian Federal University)
  • Tomilin F.N. (Kirensky Institute of Physics,Siberian Branch,Russian Academy of Sciences)
  • Lykhin A.O. (Siberian Federal University)
  • Krasnov P.O. (Siberian State Technological University)
  • Fedorov A.S. (Kirensky Institute of Physics,Siberian Branch,Russian Academy of Sciences)

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