Enhanced conductivity at the interface of Li2O:B2O3 nanocomposites

Atomistic models

Mazharul M. Islam, Thomas Bredow, Sylvio Indris, Paul Heitjans

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

A theoretical investigation at density-functional level of Li ion conduction at the interfaces in Li2O:B2O3 nanocomposites is presented. The structural disorder at the Li2O(111):B2O3(001) interface leads to reduced defect formation energies for Li vacancies and Frenkel defects compared to Li2O surfaces. The average activation energy for Li+ diffusion in the interface region is in the range of the values for Li2O. It is therefore concluded that the enhanced Li conductivity of Li2O:B2O3 nanocomposites is mainly due to the increased defect concentration.

Original languageEnglish
Article number145502
JournalPhysical Review Letters
Volume99
Issue number14
DOIs
Publication statusPublished - 2 Oct 2007

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Enhanced conductivity at the interface of Li2O:B2O3 nanocomposites : Atomistic models. / Islam, Mazharul M.; Bredow, Thomas; Indris, Sylvio; Heitjans, Paul.

In: Physical Review Letters, Vol. 99, No. 14, 145502, 02.10.2007.

Research output: Contribution to journalArticle

Islam, Mazharul M. ; Bredow, Thomas ; Indris, Sylvio ; Heitjans, Paul. / Enhanced conductivity at the interface of Li2O:B2O3 nanocomposites : Atomistic models. In: Physical Review Letters. 2007 ; Vol. 99, No. 14.
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