Conductivity and Molecular Dynamics Simulations of （Gd2O3）x（ZrO2）1-x（x=0.05-0.15） Electrolytes

XIE Xiao-hu; SUN Jia-lin; SONG Wen

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Conductivity and Molecular Dynamics Simulations of （Gd2O3）x（ZrO2）1-x（x=0.05-0.15） Electrolytes

更新时间：2026-07-10

- Conductivity and Molecular Dynamics Simulations of （Gd2O3）x（ZrO2）1-x（x=0.05-0.15） Electrolytes
- Vol. 17, Issue 1, Pages: 6-10(2012)
- 作者机构：
  
  1. 北京科技大学无机非金属系
  2. 中国钢研科技集团有限公司特种陶瓷与耐火材料北京市重点实验室
- 作者简介：
- 基金信息：
- DOI：
  CLC： TM910.4
- Published：2012
- 稿件说明：
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XIE Xiao-hu, SUN Jia-lin, SONG Wen. Conductivity and Molecular Dynamics Simulations of （Gd2O3）x（ZrO2）1-x（x=0.05-0.15） Electrolytes[J]. 2012, 17(1): 6-10.
DOI：

XIE Xiao-hu, SUN Jia-lin, SONG Wen. Conductivity and Molecular Dynamics Simulations of （Gd2O3）x（ZrO2）1-x（x=0.05-0.15） Electrolytes[J]. 2012, 17(1): 6-10. DOI：

摘要

为了探讨作为固体氧化物燃料电池电解质材料的可行性

采用交流阻抗谱研究了(Gd2O3)x(ZrO2)1-x(x=0.05-0.15)固体电解质材料的晶粒电导率

并通过分子动力学方法模拟了Gd2O3掺杂ZrO2固体电解质材料的动力学行为

计算并分析了温度和Gd2O3掺杂量对体系离子传导性能的影响.实验和模拟结果均表明

升高温度能明显增强离子电导性能.当Gd2O3掺杂量为8 mol%时

材料的电导性能取得最优值.

Abstract

In an attempt to be developed as a electrolyte material for solid oxide fuel cells

AC impedance spectroscopy was employed to study the bulk conductivity of(Gd2O3)x(ZrO2)1-x(x=0.05-0.15) electrolytes.The ionic dynamic behaviors of Gd2O3 doped ZrO2 solid electrolytes were also investigated by molecular dynamics simulation.The effect of temperature and Gd2O3 dopant content on the conductivity of materials were simulated and calculated.The results from both experiments and simulations showed that th...

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Related Institution

Key Laboratory of Engineering Dielectrics and Its Application, Ministry of Education, School of Electric and Engineering, Harbin University of Science and Technology

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