Introducing Ag in Ba0.9La0.1FeO3-δ: Combining cationic substitution with metal particle decoration
BaFeO3−δ-derived perovskites are promising cathodes for intermediate temperature solid oxide fuel cells. The activity of these perovskites depends on the number of oxygen vacancies in their lattice, which can be tuned by cationic substitution. Our first-principle calculations show that Ag is a promi...
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| Format: | Article |
| Language: | English |
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KeAi Communications Co. Ltd.
2021-05-01
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| Series: | Materials Reports: Energy |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2666935821000306 |
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| author | Alessio Belotti Jiapeng Liu Antonino Curcio Jian Wang Zheng Wang Emanuele Quattrocchi Mohammed B. Effat Francesco Ciucci |
| author_facet | Alessio Belotti Jiapeng Liu Antonino Curcio Jian Wang Zheng Wang Emanuele Quattrocchi Mohammed B. Effat Francesco Ciucci |
| author_sort | Alessio Belotti |
| collection | DOAJ |
| description | BaFeO3−δ-derived perovskites are promising cathodes for intermediate temperature solid oxide fuel cells. The activity of these perovskites depends on the number of oxygen vacancies in their lattice, which can be tuned by cationic substitution. Our first-principle calculations show that Ag is a promising substitute for the Fe site, resulting in a reduced oxygen vacancy formation energy compared with the pristine BaFeO3−δ. Ag has limited solubility in perovskites, and its introduction generates an Ag metal secondary phase, which influences the cathode performances. In this work, we investigate the matter, using a Ba0.9La0.1Fe1−xAgxO3−δ series of materials as a case study. Acknowledging the limited solubility of Ag in Ba0.9La0.1Fe1−xAgxO3−δ, we aim to distinguish the effects of Ag substitution from those of the Ag secondary phase. We observed that Ag substitution increases the number of oxygen vacancies, confirming our calculations, and facilitates the oxygen incorporation. However, Ag substitution lowers the number of holes, in this way reducing the electronic p-type conductivity. On the other hand, Ag metal positively affects the electronic conductivity and helps the redistribution of the electronic charge at the cathode-electrolyte interface. |
| first_indexed | 2024-04-11T04:49:46Z |
| format | Article |
| id | doaj.art-44c45a76e7e444118b8bfe6beae6cd05 |
| institution | Directory Open Access Journal |
| issn | 2666-9358 |
| language | English |
| last_indexed | 2024-04-11T04:49:46Z |
| publishDate | 2021-05-01 |
| publisher | KeAi Communications Co. Ltd. |
| record_format | Article |
| series | Materials Reports: Energy |
| spelling | doaj.art-44c45a76e7e444118b8bfe6beae6cd052022-12-27T04:39:01ZengKeAi Communications Co. Ltd.Materials Reports: Energy2666-93582021-05-0112100018Introducing Ag in Ba0.9La0.1FeO3-δ: Combining cationic substitution with metal particle decorationAlessio Belotti0Jiapeng Liu1Antonino Curcio2Jian Wang3Zheng Wang4Emanuele Quattrocchi5Mohammed B. Effat6Francesco Ciucci7Department of Mechanical and Aerospace Engineering, The Hong Kong University of Science and Technology, Hong Kong, ChinaDepartment of Mechanical and Aerospace Engineering, The Hong Kong University of Science and Technology, Hong Kong, ChinaDepartment of Mechanical and Aerospace Engineering, The Hong Kong University of Science and Technology, Hong Kong, ChinaDepartment of Chemistry, College of Science, Seoul National University, Seoul, South KoreaDepartment of Mechanical and Aerospace Engineering, The Hong Kong University of Science and Technology, Hong Kong, ChinaDepartment of Mechanical and Aerospace Engineering, The Hong Kong University of Science and Technology, Hong Kong, ChinaDepartment of Mechanical and Aerospace Engineering, The Hong Kong University of Science and Technology, Hong Kong, ChinaDepartment of Mechanical and Aerospace Engineering, The Hong Kong University of Science and Technology, Hong Kong, China; Department of Chemical and Biological Engineering, The Hong Kong University of Science and Technology, Hong Kong, China; Corresponding author. Department of Mechanical and Aerospace Engineering, The Hong Kong University of Science and Technology, Hong Kong, China.BaFeO3−δ-derived perovskites are promising cathodes for intermediate temperature solid oxide fuel cells. The activity of these perovskites depends on the number of oxygen vacancies in their lattice, which can be tuned by cationic substitution. Our first-principle calculations show that Ag is a promising substitute for the Fe site, resulting in a reduced oxygen vacancy formation energy compared with the pristine BaFeO3−δ. Ag has limited solubility in perovskites, and its introduction generates an Ag metal secondary phase, which influences the cathode performances. In this work, we investigate the matter, using a Ba0.9La0.1Fe1−xAgxO3−δ series of materials as a case study. Acknowledging the limited solubility of Ag in Ba0.9La0.1Fe1−xAgxO3−δ, we aim to distinguish the effects of Ag substitution from those of the Ag secondary phase. We observed that Ag substitution increases the number of oxygen vacancies, confirming our calculations, and facilitates the oxygen incorporation. However, Ag substitution lowers the number of holes, in this way reducing the electronic p-type conductivity. On the other hand, Ag metal positively affects the electronic conductivity and helps the redistribution of the electronic charge at the cathode-electrolyte interface.http://www.sciencedirect.com/science/article/pii/S2666935821000306Solid oxide fuel cellsMixed ionic electronic conductorsAg substitutionAg particles decorationBaFeO3-δ-derived perovskites |
| spellingShingle | Alessio Belotti Jiapeng Liu Antonino Curcio Jian Wang Zheng Wang Emanuele Quattrocchi Mohammed B. Effat Francesco Ciucci Introducing Ag in Ba0.9La0.1FeO3-δ: Combining cationic substitution with metal particle decoration Materials Reports: Energy Solid oxide fuel cells Mixed ionic electronic conductors Ag substitution Ag particles decoration BaFeO3-δ-derived perovskites |
| title | Introducing Ag in Ba0.9La0.1FeO3-δ: Combining cationic substitution with metal particle decoration |
| title_full | Introducing Ag in Ba0.9La0.1FeO3-δ: Combining cationic substitution with metal particle decoration |
| title_fullStr | Introducing Ag in Ba0.9La0.1FeO3-δ: Combining cationic substitution with metal particle decoration |
| title_full_unstemmed | Introducing Ag in Ba0.9La0.1FeO3-δ: Combining cationic substitution with metal particle decoration |
| title_short | Introducing Ag in Ba0.9La0.1FeO3-δ: Combining cationic substitution with metal particle decoration |
| title_sort | introducing ag in ba0 9la0 1feo3 δ combining cationic substitution with metal particle decoration |
| topic | Solid oxide fuel cells Mixed ionic electronic conductors Ag substitution Ag particles decoration BaFeO3-δ-derived perovskites |
| url | http://www.sciencedirect.com/science/article/pii/S2666935821000306 |
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