Lattice strain is a promising possibility to improve materials performance in view of their application in thin-film devices. In particular, defect and transport properties in ionic conductors may be tailored through strain effects, since defect formation energy and migration barriers are correlated to structural parameters which, in turn, are influenced by strain-induced deformations. In this computational study we predicted that oxide-ion diffusion in perovskite-type lanthanum gallate can be improved through application of tensile strain. The structural deformations required to accommodate tensile lattice strain in the perovskite system are shown to result in a preferential localization of the oxygen vacancies in the equatorial plane of the GaO6 octahedra, while oxide-ion diffusion becomes anisotropic

Tealdi, C., Mustarelli, P. (2014). Improving Oxygen Transport in Perovskite-Type LaGaO3Solid Electrolyte through Strain. JOURNAL OF PHYSICAL CHEMISTRY. C, 118(51), 29574-29582 [10.1021/jp509413w].

Improving Oxygen Transport in Perovskite-Type LaGaO3Solid Electrolyte through Strain

Mustarelli, P
2014

Abstract

Lattice strain is a promising possibility to improve materials performance in view of their application in thin-film devices. In particular, defect and transport properties in ionic conductors may be tailored through strain effects, since defect formation energy and migration barriers are correlated to structural parameters which, in turn, are influenced by strain-induced deformations. In this computational study we predicted that oxide-ion diffusion in perovskite-type lanthanum gallate can be improved through application of tensile strain. The structural deformations required to accommodate tensile lattice strain in the perovskite system are shown to result in a preferential localization of the oxygen vacancies in the equatorial plane of the GaO6 octahedra, while oxide-ion diffusion becomes anisotropic
Articolo in rivista - Articolo scientifico
strain, computation
English
2014
118
51
29574
29582
reserved
Tealdi, C., Mustarelli, P. (2014). Improving Oxygen Transport in Perovskite-Type LaGaO3Solid Electrolyte through Strain. JOURNAL OF PHYSICAL CHEMISTRY. C, 118(51), 29574-29582 [10.1021/jp509413w].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/256851
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