Islam, M.M.; Bredow, T.; Indris, S.; Heitjans, P.: Enhanced conductivity at the interface of Li2O:B2O3 nanocomposites: Atomistic models. In: Physical Review Letters 99 (2007), Nr. 14, 145502. DOI:
https://doi.org/10.1103/PhysRevLett.99.145502
Zusammenfassung: |
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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Lizenzbestimmungen: |
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Publikationstyp: |
Article |
Publikationsstatus: |
publishedVersion |
Erstveröffentlichung: |
2007 |
Schlagwörter (englisch): |
Boron, Diffusion, Electric conductivity, Ions, Lithium compounds, Atomistic models, Density functional levels, Frenkelm defects, Reduced defect formation energies, Nanocomposites
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Fachliche Zuordnung (DDC): |
530 | Physik
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