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

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

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  • Justus-Liebig-Universität Gießen
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OriginalspracheEnglisch
Seiten (von - bis)3680-3683
Seitenumfang4
FachzeitschriftPhysical Chemistry Chemical Physics
Jahrgang6
Ausgabenummer13
PublikationsstatusVeröffentlicht - 7 Juli 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, Jahrgang 6, Nr. 13, 07.07.2004, S. 3680-3683.

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-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 ; Jahrgang 6, Nr. 13. S. 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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Download

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T1 - Li ion transport and interface percolation in nano- and microcrystalline composites

AU - Ulrich, Markus

AU - Bunde, Armin

AU - Indris, Sylvio

AU - Heitjans, Paul

PY - 2004/7/7

Y1 - 2004/7/7

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.

AB - 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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