通过固态 (17) 探测混合离子导体La2NiO4+δ中的氧化物离子移动性
David M Halat1, Rıza Dervişoğlu1, Gunwoo Kim1
1Department of Chemistry, University of Cambridge , Lensfield Road, Cambridge CB2 1EW, United Kingdom.
Journal of the American Chemical Society
|August 20, 2016
概括
本研究使用先进的固态核磁共振来分析磁性混合离子电子导体 (MIEC),揭示在La2NiO4+δ中不同的氧位及其运动,这对于固体氧化物燃料电池至关重要.
科学领域:
- 材料科学
- 固态化学
- 光谱学
背景情况:
- 固态核磁共振对于研究离子导体至关重要.
- 混合离子电子导体 (MIEC) 的磁性行为阻碍了NMR分析.
- La2NiO4+δ是固体氧化物燃料电池 (SOFC) 的一个关键材料.
研究的目的:
- 开发和应用高分辨率的170固态NMR用于磁性MIEC.
- 描述La2NiO4+δ中的氧气环境和动态.
- 模拟与相位过渡有关的氧化物离子动态.
主要方法:
- 高分辨率 (17) 固态核磁共振光谱.
- 周期密度函数理论 (DFT) 的计算.
- 魔力转角和相调侧带分离 (MATPASS) NMR.
主要成果:
- 在La2NiO4+δ中确定了三个不同的氧气环境 (赤道,轴向,间隙).
- 解决了由于间歇氧气导致的轴位结构扭曲.
- 在130°C左右观察到快速的间位氧化物运动和交换.
结论:
- 为MIEC开发了一种综合性NMR和DFT方法.
- 在光谱时间尺度上建立了氧化物离子动态模型.
- 该方法适用于各种磁性氧化物和MIEC.
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