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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Uralʹskij federalʹnyj universitet imeni pervogo Prezidenta Rossii B.N. Elʹcina
2021-02-01
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| Series: | Chimica Techno Acta |
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| Online Access: | https://chimicatechnoacta.ru/article/view/4746 |
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| 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 |
| collection | DOAJ |
| 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 |
| id | doaj-art-e8ad8a7bdab146acaff31047d7a71bfd |
| institution | Kabale University |
| issn | 2411-1414 |
| language | English |
| publishDate | 2021-02-01 |
| publisher | Uralʹskij federalʹnyj universitet imeni pervogo Prezidenta Rossii B.N. Elʹcina |
| record_format | Article |
| series | Chimica Techno Acta |
| spelling | doaj-art-e8ad8a7bdab146acaff31047d7a71bfd2024-12-25T09:36:54ZengUralʹskij federalʹnyj universitet imeni pervogo Prezidenta Rossii B.N. ElʹcinaChimica Techno Acta2411-14142021-02-018110.15826/chimtech.2020.8.1.033839Effect of zinc doping on electrical properties of LaAlO3 perovskiteAnastasia V. Egorova0Ksenia G. Belova1Irina E. Animitsa2Yelizaveta A. Morkhova3Artem A. Kabanov4Ural Federal University; Institute of High Temperature Electrochemistry, Ural Branch of Russian Academy of Sciences, YekaterinburgUral Federal University; Institute of High Temperature Electrochemistry, Ural Branch of Russian Academy of Sciences, YekaterinburgUral Federal University; Institute of High Temperature Electrochemistry, Ural Branch of Russian Academy of Sciences, YekaterinburgSamara Center for Theoretical Materials Science (SCTMS), Samara State Technical University; Samara Center for Theoretical Materials Science (SCTMS), Samara University, SamaraSamara Center for Theoretical Materials Science (SCTMS), Samara State Technical University; P. N. Lebedev Physical Institute of the Russian Academy of Sciences, SamaraNew 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.https://chimicatechnoacta.ru/article/view/4746perovskitelanthanum alumina zincstructureionic conductivitymodeling of ion transportgeometrical-topological analysisvoronoi partitionbvse-simulationdft-calculation |
| spellingShingle | 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 Chimica Techno Acta perovskite lanthanum alumina zinc structure ionic conductivity modeling of ion transport geometrical-topological analysis voronoi partition bvse-simulation dft-calculation |
| title | 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_short | Effect of zinc doping on electrical properties of LaAlO3 perovskite |
| title_sort | effect of zinc doping on electrical properties of laalo3 perovskite |
| topic | perovskite lanthanum alumina zinc structure ionic conductivity modeling of ion transport geometrical-topological analysis voronoi partition bvse-simulation dft-calculation |
| url | https://chimicatechnoacta.ru/article/view/4746 |
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