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Journal of Materials Science
Erschienen in: Journal of Materials Science 11/2017

14.02.2017 | Original Paper

Molecular dynamics investigation of oxide ion transport in Sr-doped LaMnO3

verfasst von: Omkar Tripathy, P. Padma Kumar

Erschienen in: Journal of Materials Science | Ausgabe 11/2017

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Abstract

A comprehensive investigation of oxide ion transport in La1−x Sr x MnO3−0.5x (x = 0.2 and 0.5) over the temperature range of 800–2000 K is carried out employing long molecular dynamics simulations. The macroscopic structural and transport properties are in good agreement with previous experimental studies. The role of La/Sr ordering on oxide ion diffusivity is investigated. Fresh insights on diffusion pathways, microscopic energetics and mechanism of oxide ion transport are derived.
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Metadaten
Titel
Molecular dynamics investigation of oxide ion transport in Sr-doped LaMnO3
verfasst von
Omkar Tripathy
P. Padma Kumar
Publikationsdatum
14.02.2017
Verlag
Springer US
Erschienen in
Journal of Materials Science / Ausgabe 11/2017
Print ISSN: 0022-2461
Elektronische ISSN: 1573-4803
DOI
https://doi.org/10.1007/s10853-017-0889-9

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