Chemistry, asked by narini7181, 1 year ago

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

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Answered by RabbitPanda
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A comprehensive investigation of oxide ion transport in La1−xSrxMnO3−0.5x (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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