Articles with "random substitution" as a keyword



Molecular Dynamics Simulation of Structural and Transport Properties of Solid Solutions of Double Perovskites Based on PrBaCo2O5.5

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Published in 2020 at "Crystallography Reports"

DOI: 10.1134/s106377452002008x

Abstract: The oxygen diffusion has been simulated by the molecular dynamics method in the solid solutions of PrBaCo2O5.5-based double perovskites: PrBa0.5Sr0.5Co2O5.5 with random substitution of half of Ba atoms by Sr atoms, PrBa0.5Sr0.5CoFeO5.5 with random substitution… read more here.

Keywords: prba0 5sr0; molecular dynamics; double perovskites; random substitution ... See more keywords