Li ion transport and interface percolation in nano- and microcrystalline composites

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  • Justus Liebig University Giessen
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Original languageEnglish
Pages (from-to)3680-3683
Number of pages4
JournalPhysical Chemistry Chemical Physics
Volume6
Issue number13
Publication statusPublished - 7 Jul 2004

Abstract

We use model calculations to study the ionic conductivity in micro- and nanocrystalline composites of the type (1 - x)Li2O:xB 2O3. Experimentally, such composites show a significant grain size effect. Microcrystalline samples (grain diameters in the range of some μm) show a strong monotonie decrease of the dc conductivity with increasing insulator content x, while nanocrystalline composites (grain sizes in the range of several nanometers) display a pronounced maximum in the conductivity at x ≈ 0.6. Above x = 0.9 the conductivity of the nanocrystalline materials drops sharply below the detection limit. We assume that neighbouring grains of conducting Li2O and insulating B 2O3 are separated by a highly conducting interface with a constant thickness of about 1 nm, irrespective of the grain size. By using Monte Carlo simulations and percolation theory we show that the overall features of the ionic conductivity in both nano- and microcrystalline composites can be well described by a brick-layer type model that explicitly takes into account the different cross sectional areas for ionic transport between neighbouring Li 2O grains, without additional free parameters involved.

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Li ion transport and interface percolation in nano- and microcrystalline composites. / Ulrich, Markus; Bunde, Armin; Indris, Sylvio et al.
In: Physical Chemistry Chemical Physics, Vol. 6, No. 13, 07.07.2004, p. 3680-3683.

Research output: Contribution to journalArticleResearchpeer review

Ulrich, Markus ; Bunde, Armin ; Indris, Sylvio et al. / Li ion transport and interface percolation in nano- and microcrystalline composites. In: Physical Chemistry Chemical Physics. 2004 ; Vol. 6, No. 13. pp. 3680-3683.
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abstract = "We use model calculations to study the ionic conductivity in micro- and nanocrystalline composites of the type (1 - x)Li2O:xB 2O3. Experimentally, such composites show a significant grain size effect. Microcrystalline samples (grain diameters in the range of some μm) show a strong monotonie decrease of the dc conductivity with increasing insulator content x, while nanocrystalline composites (grain sizes in the range of several nanometers) display a pronounced maximum in the conductivity at x ≈ 0.6. Above x = 0.9 the conductivity of the nanocrystalline materials drops sharply below the detection limit. We assume that neighbouring grains of conducting Li2O and insulating B 2O3 are separated by a highly conducting interface with a constant thickness of about 1 nm, irrespective of the grain size. By using Monte Carlo simulations and percolation theory we show that the overall features of the ionic conductivity in both nano- and microcrystalline composites can be well described by a brick-layer type model that explicitly takes into account the different cross sectional areas for ionic transport between neighbouring Li 2O grains, without additional free parameters involved.",
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AU - Bunde, Armin

AU - Indris, Sylvio

AU - Heitjans, Paul

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N2 - We use model calculations to study the ionic conductivity in micro- and nanocrystalline composites of the type (1 - x)Li2O:xB 2O3. Experimentally, such composites show a significant grain size effect. Microcrystalline samples (grain diameters in the range of some μm) show a strong monotonie decrease of the dc conductivity with increasing insulator content x, while nanocrystalline composites (grain sizes in the range of several nanometers) display a pronounced maximum in the conductivity at x ≈ 0.6. Above x = 0.9 the conductivity of the nanocrystalline materials drops sharply below the detection limit. We assume that neighbouring grains of conducting Li2O and insulating B 2O3 are separated by a highly conducting interface with a constant thickness of about 1 nm, irrespective of the grain size. By using Monte Carlo simulations and percolation theory we show that the overall features of the ionic conductivity in both nano- and microcrystalline composites can be well described by a brick-layer type model that explicitly takes into account the different cross sectional areas for ionic transport between neighbouring Li 2O grains, without additional free parameters involved.

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