Effect of zinc doping on electrical properties of LaAlO3 perovskite

New solid solution with the general formula of LaAl1-xZnxO3-1/2x was prepared by a solid-state reaction route. According to XRD, the crystal structure of LaAlO3 is rhombohedral, while the solid solution possesses cubic symmetry. Homogeneity region of the solid solution LaAl1-xZnxO3-1/2x was narrow a...

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Autores principales:	Anastasia V. Egorova, Ksenia G. Belova, Irina E. Animitsa, Yelizaveta A. Morkhova, Artem A. Kabanov
Formato:	article
Lenguaje:	EN RU
Publicado:	Uralʹskij federalʹnyj universitet imeni pervogo Prezidenta Rossii B.N. Elʹcina 2021
Materias:	perovskite lanthanum alumina zinc structure ionic conductivity modeling of ion transport geometrical-topological analysis voronoi partition bvse-simulation dft-calculation Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/e8ad8a7bdab146acaff31047d7a71bfd
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spelling	oai:doaj.org-article:e8ad8a7bdab146acaff31047d7a71bfd2021-12-01T05:53:11ZEffect of zinc doping on electrical properties of LaAlO3 perovskite2411-141410.15826/chimtech.2020.8.1.03https://doaj.org/article/e8ad8a7bdab146acaff31047d7a71bfd2021-02-01T00:00:00Zhttps://journals.urfu.ru/index.php/chimtech/article/view/4746https://doaj.org/toc/2411-1414New solid solution with the general formula of LaAl1-xZnxO3-1/2x was prepared by a solid-state reaction route. According to XRD, the crystal structure of LaAlO3 is rhombohedral, while the solid solution possesses cubic symmetry. Homogeneity region of the solid solution LaAl1-xZnxO3-1/2x was narrow and limited to the maximum concentration of 5 mol. %. Computer simulations using crystalochemistry and density functional theory approaches showed that LaAlO3 has high energy barriers for O2–-ion transport (2.79 eV). These results are in good agreement with the low values of electrical conductivity obtained experimentally. The electrical conductivity of LaAl1-xZnxO3-1/2x was measured by impedance spectroscopy in the temperature range of 200–1000 °C. The partial substitution of Al3+ by Zn2+ was found to increase the electrical conductivity by ~2 order of magnitude. The electrical conductivity of doped phase LaAl0.95Zn0.05O2.975 as a function of oxygen partial pressure was measured, and the partial contributions (oxygen-ionic and electronic) were determined. It was found that the sample has mixed ionic and p-type electronic conductivity, while the electronic contribution increases with the rise of the temperature.Anastasia V. EgorovaKsenia G. BelovaIrina E. AnimitsaYelizaveta A. MorkhovaArtem A. KabanovUralʹskij federalʹnyj universitet imeni pervogo Prezidenta Rossii B.N. Elʹcina articleperovskitelanthanum alumina zincstructureionic conductivitymodeling of ion transportgeometrical-topological analysisvoronoi partitionbvse-simulationdft-calculationChemistryQD1-999ENRUChimica Techno Acta, Vol 8, Iss 1 (2021)
institution	DOAJ
collection	DOAJ
language	EN RU
topic	perovskite lanthanum alumina zinc structure ionic conductivity modeling of ion transport geometrical-topological analysis voronoi partition bvse-simulation dft-calculation Chemistry QD1-999
spellingShingle	perovskite lanthanum alumina zinc structure ionic conductivity modeling of ion transport geometrical-topological analysis voronoi partition bvse-simulation dft-calculation Chemistry QD1-999 Anastasia V. Egorova Ksenia G. Belova Irina E. Animitsa Yelizaveta A. Morkhova Artem A. Kabanov Effect of zinc doping on electrical properties of LaAlO3 perovskite
description	New solid solution with the general formula of LaAl1-xZnxO3-1/2x was prepared by a solid-state reaction route. According to XRD, the crystal structure of LaAlO3 is rhombohedral, while the solid solution possesses cubic symmetry. Homogeneity region of the solid solution LaAl1-xZnxO3-1/2x was narrow and limited to the maximum concentration of 5 mol. %. Computer simulations using crystalochemistry and density functional theory approaches showed that LaAlO3 has high energy barriers for O2–-ion transport (2.79 eV). These results are in good agreement with the low values of electrical conductivity obtained experimentally. The electrical conductivity of LaAl1-xZnxO3-1/2x was measured by impedance spectroscopy in the temperature range of 200–1000 °C. The partial substitution of Al3+ by Zn2+ was found to increase the electrical conductivity by ~2 order of magnitude. The electrical conductivity of doped phase LaAl0.95Zn0.05O2.975 as a function of oxygen partial pressure was measured, and the partial contributions (oxygen-ionic and electronic) were determined. It was found that the sample has mixed ionic and p-type electronic conductivity, while the electronic contribution increases with the rise of the temperature.
format	article
author	Anastasia V. Egorova Ksenia G. Belova Irina E. Animitsa Yelizaveta A. Morkhova Artem A. Kabanov
author_facet	Anastasia V. Egorova Ksenia G. Belova Irina E. Animitsa Yelizaveta A. Morkhova Artem A. Kabanov
author_sort	Anastasia V. Egorova
title	Effect of zinc doping on electrical properties of LaAlO3 perovskite
title_short	Effect of zinc doping on electrical properties of LaAlO3 perovskite
title_full	Effect of zinc doping on electrical properties of LaAlO3 perovskite
title_fullStr	Effect of zinc doping on electrical properties of LaAlO3 perovskite
title_full_unstemmed	Effect of zinc doping on electrical properties of LaAlO3 perovskite
title_sort	effect of zinc doping on electrical properties of laalo3 perovskite
publisher	Uralʹskij federalʹnyj universitet imeni pervogo Prezidenta Rossii B.N. Elʹcina
publishDate	2021
url	https://doaj.org/article/e8ad8a7bdab146acaff31047d7a71bfd
work_keys_str_mv	AT anastasiavegorova effectofzincdopingonelectricalpropertiesoflaalo3perovskite AT kseniagbelova effectofzincdopingonelectricalpropertiesoflaalo3perovskite AT irinaeanimitsa effectofzincdopingonelectricalpropertiesoflaalo3perovskite AT yelizavetaamorkhova effectofzincdopingonelectricalpropertiesoflaalo3perovskite AT artemakabanov effectofzincdopingonelectricalpropertiesoflaalo3perovskite
_version_	1718405511128285184

Effect of zinc doping on electrical properties of LaAlO3 perovskite

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