{"title":"掺杂钼和钪对用于质子传导型固体氧化物燃料电池的 Sr2Fe2O6 阴极性能的影响","authors":"Shu Yang, Yueyuan Gu, Shoufu Yu","doi":"10.1016/j.mseb.2024.117836","DOIUrl":null,"url":null,"abstract":"<div><div>Sr<sub>2</sub>Fe<sub>2</sub>O<sub>6</sub> was doped with Sc and Mo ions to investigate the effect of these dopants on the material properties and cathode performance. Both Sc and Mo were doped into Sr<sub>2</sub>Fe<sub>2</sub>O<sub>6</sub> as pure phases, and the thermal expansion coefficient (TEC) increased with the Sc content of the material. A first-principles calculation at the atomic level indicated that Mo facilitated hydration, whereas Sc doping facilitated the formation of oxygen vacancies. Simulation results showed that the lowest energy barrier to O<sub>2</sub> adsorption and dissociation was obtained by co-doping Sc and Mo into Sr<sub>2</sub>Fe<sub>2</sub>O<sub>6</sub>, facilitating the cathode reaction. The results of fuel cell tests indicated that co-doping with Sc and Mo resulted in higher fuel-cell performance for Sr<sub>2</sub>Fe<sub>2</sub>O<sub>6</sub> than doping with Sc or Mo alone. An impedance analysis for Sr<sub>2</sub>Fe<sub>2</sub>O<sub>6</sub> co-doped with Sc and Mo indicated a good balance between hydration and oxygen vacancy formation, as well as a low energy barrier to O<sub>2</sub> adsorption and dissociation, which resulted in this material exhibiting the lowest polarization resistance among the tested cathodes. This study demonstrates that each dopant has unique advantages and disadvantages in terms of cathode properties, and it is necessary to strike a balance among the parameters involved to enhance the cathode performance.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering B-advanced Functional Solid-state Materials","volume":"311 ","pages":"Article 117836"},"PeriodicalIF":3.9000,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The effect of Mo and Sc dopants on the performance of an Sr2Fe2O6 cathode for use in proton-conducting solid oxide fuel cells\",\"authors\":\"Shu Yang, Yueyuan Gu, Shoufu Yu\",\"doi\":\"10.1016/j.mseb.2024.117836\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Sr<sub>2</sub>Fe<sub>2</sub>O<sub>6</sub> was doped with Sc and Mo ions to investigate the effect of these dopants on the material properties and cathode performance. Both Sc and Mo were doped into Sr<sub>2</sub>Fe<sub>2</sub>O<sub>6</sub> as pure phases, and the thermal expansion coefficient (TEC) increased with the Sc content of the material. A first-principles calculation at the atomic level indicated that Mo facilitated hydration, whereas Sc doping facilitated the formation of oxygen vacancies. Simulation results showed that the lowest energy barrier to O<sub>2</sub> adsorption and dissociation was obtained by co-doping Sc and Mo into Sr<sub>2</sub>Fe<sub>2</sub>O<sub>6</sub>, facilitating the cathode reaction. The results of fuel cell tests indicated that co-doping with Sc and Mo resulted in higher fuel-cell performance for Sr<sub>2</sub>Fe<sub>2</sub>O<sub>6</sub> than doping with Sc or Mo alone. An impedance analysis for Sr<sub>2</sub>Fe<sub>2</sub>O<sub>6</sub> co-doped with Sc and Mo indicated a good balance between hydration and oxygen vacancy formation, as well as a low energy barrier to O<sub>2</sub> adsorption and dissociation, which resulted in this material exhibiting the lowest polarization resistance among the tested cathodes. This study demonstrates that each dopant has unique advantages and disadvantages in terms of cathode properties, and it is necessary to strike a balance among the parameters involved to enhance the cathode performance.</div></div>\",\"PeriodicalId\":18233,\"journal\":{\"name\":\"Materials Science and Engineering B-advanced Functional Solid-state Materials\",\"volume\":\"311 \",\"pages\":\"Article 117836\"},\"PeriodicalIF\":3.9000,\"publicationDate\":\"2024-11-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Materials Science and Engineering B-advanced Functional Solid-state Materials\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0921510724006652\",\"RegionNum\":3,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Materials Science and Engineering B-advanced Functional Solid-state Materials","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0921510724006652","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
在 Sr2Fe2O6 中掺入了 Sc 和 Mo 离子,以研究这些掺杂剂对材料特性和阴极性能的影响。Sc和Mo均以纯相的形式掺入Sr2Fe2O6中,热膨胀系数(TEC)随材料中Sc含量的增加而增大。原子层面的第一原理计算表明,钼促进了水合作用,而掺入钪则促进了氧空位的形成。模拟结果表明,通过在 Sr2Fe2O6 中共同掺杂 Sc 和 Mo,可获得最低的氧气吸附和解离能垒,从而促进阴极反应。燃料电池测试结果表明,与单独掺杂 Sc 或 Mo 相比,共同掺杂 Sc 和 Mo 使 Sr2Fe2O6 具有更高的燃料电池性能。对掺杂了 Sc 和 Mo 的 Sr2Fe2O6 进行的阻抗分析表明,该材料在水化和氧空位形成之间取得了良好的平衡,而且氧气吸附和解离的能量障碍较低,因此在测试的阴极中,该材料的极化电阻最低。这项研究表明,每种掺杂剂在阴极性能方面都有其独特的优缺点,因此有必要在相关参数之间取得平衡,以提高阴极的性能。
The effect of Mo and Sc dopants on the performance of an Sr2Fe2O6 cathode for use in proton-conducting solid oxide fuel cells
Sr2Fe2O6 was doped with Sc and Mo ions to investigate the effect of these dopants on the material properties and cathode performance. Both Sc and Mo were doped into Sr2Fe2O6 as pure phases, and the thermal expansion coefficient (TEC) increased with the Sc content of the material. A first-principles calculation at the atomic level indicated that Mo facilitated hydration, whereas Sc doping facilitated the formation of oxygen vacancies. Simulation results showed that the lowest energy barrier to O2 adsorption and dissociation was obtained by co-doping Sc and Mo into Sr2Fe2O6, facilitating the cathode reaction. The results of fuel cell tests indicated that co-doping with Sc and Mo resulted in higher fuel-cell performance for Sr2Fe2O6 than doping with Sc or Mo alone. An impedance analysis for Sr2Fe2O6 co-doped with Sc and Mo indicated a good balance between hydration and oxygen vacancy formation, as well as a low energy barrier to O2 adsorption and dissociation, which resulted in this material exhibiting the lowest polarization resistance among the tested cathodes. This study demonstrates that each dopant has unique advantages and disadvantages in terms of cathode properties, and it is necessary to strike a balance among the parameters involved to enhance the cathode performance.
期刊介绍:
The journal provides an international medium for the publication of theoretical and experimental studies and reviews related to the electronic, electrochemical, ionic, magnetic, optical, and biosensing properties of solid state materials in bulk, thin film and particulate forms. Papers dealing with synthesis, processing, characterization, structure, physical properties and computational aspects of nano-crystalline, crystalline, amorphous and glassy forms of ceramics, semiconductors, layered insertion compounds, low-dimensional compounds and systems, fast-ion conductors, polymers and dielectrics are viewed as suitable for publication. Articles focused on nano-structured aspects of these advanced solid-state materials will also be considered suitable.