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 anisotropicFile | Dimensione | Formato | |
---|---|---|---|
2014-JPhysChemC-LaGaO3.pdf
Solo gestori archivio
Dimensione
1.61 MB
Formato
Adobe PDF
|
1.61 MB | Adobe PDF | Visualizza/Apri Richiedi una copia |
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.