{"title":"利用内斯特-普朗克-泊松模型模拟 BaZr0.8Y0.2O3-δ|BaZr0.1Ce0.7Y0.1Yb0.1O3-δ 双层电解质中带电缺陷的传输","authors":"","doi":"10.1016/j.ssi.2024.116680","DOIUrl":null,"url":null,"abstract":"<div><p>Bilayer electrolytes can enhance the performance of protonic ceramic fuel cells (PCFCs). In this work, the transport of charged defects through <span><math><msub><mtext>BaZr</mtext><mn>0.8</mn></msub><msub><mi>Y</mi><mn>0.2</mn></msub><msub><mi>O</mi><mrow><mn>3</mn><mo>−</mo><mi>δ</mi></mrow></msub></math></span>|<span><math><msub><mtext>BaZr</mtext><mn>0.1</mn></msub><msub><mi>Ce</mi><mn>0.7</mn></msub><msub><mi>Y</mi><mn>0.1</mn></msub><msub><mi>Yb</mi><mn>0.1</mn></msub><msub><mi>O</mi><mrow><mn>3</mn><mo>−</mo><mi>δ</mi></mrow></msub></math></span> bilayer electrolytes is modeled using a Nernst–Planck–Poisson formulation. New parameter sets were fitted to accurately represent the conductivity data and predict the <em>i – V</em> curve. The concentration and electrostatic potential profiles were calculated, along with the defect fluxes. The results show that the bilayer electrolyte exhibits lower hole conduction compared to the corresponding single-layer electrolytes. Additionally, a positive proton concentration gradient towards the cathode side is observed in the bilayer electrolyte, which is not present in single-layer electrolytes. The slope of the concentration profile increases as the <span><math><msub><mi>L</mi><mi>BZY</mi></msub><mo>/</mo><msub><mi>L</mi><mi>tot</mi></msub></math></span> ratio decreases, corresponding with improved cell performance. This observed increase in proton concentration towards the cathode side suggests favorable conditions for proton supply to the cathode, thereby enhancing overall cell performance.</p></div>","PeriodicalId":431,"journal":{"name":"Solid State Ionics","volume":null,"pages":null},"PeriodicalIF":3.0000,"publicationDate":"2024-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Simulating transport of charged defects in BaZr0.8Y0.2O3‐δ|BaZr0.1Ce0.7Y0.1Yb0.1O3−δ bilayer electrolytes using a Nernst–Planck–Poisson model\",\"authors\":\"\",\"doi\":\"10.1016/j.ssi.2024.116680\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Bilayer electrolytes can enhance the performance of protonic ceramic fuel cells (PCFCs). In this work, the transport of charged defects through <span><math><msub><mtext>BaZr</mtext><mn>0.8</mn></msub><msub><mi>Y</mi><mn>0.2</mn></msub><msub><mi>O</mi><mrow><mn>3</mn><mo>−</mo><mi>δ</mi></mrow></msub></math></span>|<span><math><msub><mtext>BaZr</mtext><mn>0.1</mn></msub><msub><mi>Ce</mi><mn>0.7</mn></msub><msub><mi>Y</mi><mn>0.1</mn></msub><msub><mi>Yb</mi><mn>0.1</mn></msub><msub><mi>O</mi><mrow><mn>3</mn><mo>−</mo><mi>δ</mi></mrow></msub></math></span> bilayer electrolytes is modeled using a Nernst–Planck–Poisson formulation. New parameter sets were fitted to accurately represent the conductivity data and predict the <em>i – V</em> curve. The concentration and electrostatic potential profiles were calculated, along with the defect fluxes. The results show that the bilayer electrolyte exhibits lower hole conduction compared to the corresponding single-layer electrolytes. Additionally, a positive proton concentration gradient towards the cathode side is observed in the bilayer electrolyte, which is not present in single-layer electrolytes. The slope of the concentration profile increases as the <span><math><msub><mi>L</mi><mi>BZY</mi></msub><mo>/</mo><msub><mi>L</mi><mi>tot</mi></msub></math></span> ratio decreases, corresponding with improved cell performance. This observed increase in proton concentration towards the cathode side suggests favorable conditions for proton supply to the cathode, thereby enhancing overall cell performance.</p></div>\",\"PeriodicalId\":431,\"journal\":{\"name\":\"Solid State Ionics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.0000,\"publicationDate\":\"2024-09-07\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Solid State Ionics\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0167273824002285\",\"RegionNum\":4,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Solid State Ionics","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0167273824002285","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
摘要
双层电解质可以提高质子陶瓷燃料电池(PCFC)的性能。在这项研究中,使用 Nernst-Planck-Poisson 公式模拟了带电缺陷在 BaZr0.8Y0.2O3-δ|BaZr0.1Ce0.7Y0.1Yb0.1O3-δ 双层电解质中的传输。拟合了新的参数集,以准确表示电导率数据并预测 i - V 曲线。计算了浓度和静电位曲线以及缺陷通量。结果表明,与相应的单层电解质相比,双层电解质的空穴传导率较低。此外,在双电层电解质中观察到向阴极一侧的正质子浓度梯度,而单电层电解质中没有这种梯度。浓度曲线的斜率随着 LBZY/Ltot 比率的降低而增大,这与电池性能的提高相对应。观察到质子浓度向阴极侧增加,这表明向阴极提供质子的条件有利,从而提高了电池的整体性能。
Simulating transport of charged defects in BaZr0.8Y0.2O3‐δ|BaZr0.1Ce0.7Y0.1Yb0.1O3−δ bilayer electrolytes using a Nernst–Planck–Poisson model
Bilayer electrolytes can enhance the performance of protonic ceramic fuel cells (PCFCs). In this work, the transport of charged defects through | bilayer electrolytes is modeled using a Nernst–Planck–Poisson formulation. New parameter sets were fitted to accurately represent the conductivity data and predict the i – V curve. The concentration and electrostatic potential profiles were calculated, along with the defect fluxes. The results show that the bilayer electrolyte exhibits lower hole conduction compared to the corresponding single-layer electrolytes. Additionally, a positive proton concentration gradient towards the cathode side is observed in the bilayer electrolyte, which is not present in single-layer electrolytes. The slope of the concentration profile increases as the ratio decreases, corresponding with improved cell performance. This observed increase in proton concentration towards the cathode side suggests favorable conditions for proton supply to the cathode, thereby enhancing overall cell performance.
期刊介绍:
This interdisciplinary journal is devoted to the physics, chemistry and materials science of diffusion, mass transport, and reactivity of solids. The major part of each issue is devoted to articles on:
(i) physics and chemistry of defects in solids;
(ii) reactions in and on solids, e.g. intercalation, corrosion, oxidation, sintering;
(iii) ion transport measurements, mechanisms and theory;
(iv) solid state electrochemistry;
(v) ionically-electronically mixed conducting solids.
Related technological applications are also included, provided their characteristics are interpreted in terms of the basic solid state properties.
Review papers and relevant symposium proceedings are welcome.