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Oxygen Vacancy Formation and Migration within the Antiphase Boundaries in Lanthanum Scandate-Based Oxides: Computational Study

The atomic structure of antiphase boundaries in Sr-doped lanthanum scandate (La(1−x)Sr(x)ScO(3−δ)) perovskite, promising as the proton conductor, was modelled by means of DFT method. Two structural types of interfaces formed by structural octahedral coupling were constructed: edge- and face-shared....

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Detalles Bibliográficos
Autores principales:	Mastrikov, Yuri A., Gryaznov, Denis, Sokolov, Maksim N., Zvejnieks, Guntars, Popov, Anatoli I., Eglitis, Roberts I., Kotomin, Eugene A., Ananyev, Maxim V.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9000681/ https://www.ncbi.nlm.nih.gov/pubmed/35408027 http://dx.doi.org/10.3390/ma15072695

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