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research
Enhanced conductivity at the interface of Li2O:B2O3 nanocomposites: Atomistic models
Authors
Thomas Bredow
Paul Heitjans
Sylvio Indris
Mazharul M. Islam
Publication date
1 January 2007
Publisher
College Park, ML : American Physical Society
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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. © 2007 The American Physical Society
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Institutionelles Repositorium der Leibniz Universität Hannover
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Last time updated on 21/11/2017