Evaluation of polymorphism and charge transport in a BaO-CaO-Ta2O5 perovskite phase diagram using TOF-neutron and synchrotron X-ray diffraction, the bond-valence method and impedance spectroscopy
文献类型：期刊论文
| 作者 | Singh, Kalpana; Yang, Hua ; Zhang, Zheyu; Avdeev, Maxim; Huq, Ashfia; Wu, Dong-Ying; Lee, Jey-Jau; Kan, Wang Hay; Thangadurai, Venkataraman
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| 刊名 | JOURNAL OF MATERIALS CHEMISTRY A
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| 出版日期 | 2022 |
| 卷号 | 10期号:41页码:22257-22270 |
| ISSN号 | 2050-7488 |
| DOI | 10.1039/d2ta02725a |
| 文献子类 | Article |
| 英文摘要 | Among the alkaline earth-based perovskite oxides, the Ba-based perovskites have superior chemical stability and tunable electrical/catalytic property via chemical substitution/doping. One of the best-known examples is Ba3Ca1.18Nb1.82O8.73 as a ceramic proton conductor for all-solid-state steam electrolysis and solid oxide fuel cells (SOFCs). Structural ordering variation is often driven by chemical composition, which directly correlates with their chemical/physical properties. In the present work, we develop a comprehensive functional perovskite-type phase diagram for the Ba-Ca-Ta-O quaternary system Ba3Ca1+xTa2-xO9-3x/2 (0 <= x <= 0.36) with a wide chemical composition between 1000 and 1550 degrees C, coupled with theoretical calculations to investigate the cation ordering in supercells. Furthermore, the impact of cation clustering on the diffusion pathways of O2- ions was evaluated as a case study. Experimentally, precise cation ordering and other structural features are quantitively determined by TOF-neutron and synchrotron X-ray diffraction analyses. This work provides a comprehensive evaluation of some potential applications of the Ba-Ca-Ta-O quaternary system. The electrochemical impedance data were also systematically studied by impedance spectroscopy genetic programming (ISGP). The electrical conductivity was found to increase from x = 0 to x = 0.27 and then decrease for the end member when x = 0.36 due to a decrease in mobile charge carrier concentration. Interestingly, in dry air, the electrical conductivity was found to increase from x = 0 to x = 0.36. However, only Ba3Ca1.18Ta1.82O8.73 (BCT18) and Ba3Ca1.27Ta1.73O8.595 (BCT27) were found to show an increasing trend in conductivity in humid atmospheres, and this indicates that the clustering effect was pO(2) dependent. |
| 电子版国际标准刊号 | 2050-7496 |
| 语种 | 英语 |
| WOS记录号 | WOS:000865544100001 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/299723]  |
| 专题 | 高能物理研究所_东莞分部 |
| 作者单位 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Singh, Kalpana,Yang, Hua,Zhang, Zheyu,et al. Evaluation of polymorphism and charge transport in a BaO-CaO-Ta2O5 perovskite phase diagram using TOF-neutron and synchrotron X-ray diffraction, the bond-valence method and impedance spectroscopy[J]. JOURNAL OF MATERIALS CHEMISTRY A,2022,10(41):22257-22270. |
| APA | Singh, Kalpana.,Yang, Hua.,Zhang, Zheyu.,Avdeev, Maxim.,Huq, Ashfia.,...&Thangadurai, Venkataraman.(2022).Evaluation of polymorphism and charge transport in a BaO-CaO-Ta2O5 perovskite phase diagram using TOF-neutron and synchrotron X-ray diffraction, the bond-valence method and impedance spectroscopy.JOURNAL OF MATERIALS CHEMISTRY A,10(41),22257-22270. |
| MLA | Singh, Kalpana,et al."Evaluation of polymorphism and charge transport in a BaO-CaO-Ta2O5 perovskite phase diagram using TOF-neutron and synchrotron X-ray diffraction, the bond-valence method and impedance spectroscopy".JOURNAL OF MATERIALS CHEMISTRY A 10.41(2022):22257-22270. |
入库方式： OAI收割
来源：高能物理研究所
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