Interstitial lithium diffusion pathways in Î³-LiAlO2: a computational study.

Islam, Mazharul M; Bredow, Thomas

Islam, Mazharul M; Bredow, Thomas.

Afiliação

Islam MM; Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie, University of Bonn , Beringstrasse 4-6, D-53115 Bonn, Germany.
Bredow T; Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie, University of Bonn , Beringstrasse 4-6, D-53115 Bonn, Germany.

J Phys Chem Lett ; 6(22): 4622-6, 2015 Nov 19.

Article em En | MEDLINE | ID: mdl-26545045

Palavras-chave

Frenkel defects; Li diffusion pathway; activation energy; climbing-image nudged-elastic-band method; density functional theory; point defects; relaxation

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Phys Chem Lett Ano de publicação: 2015 Tipo de documento: Article País de afiliação: Alemanha

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