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首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Cr and Ni Doping of Li4Ti5O_(12): Cation Distribution and Functional Properties
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Cr and Ni Doping of Li4Ti5O_(12): Cation Distribution and Functional Properties

机译：Li4Ti5O_（12）的Cr和Ni掺杂：阳离子分布和功能性质

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摘要

Cr- and Ni-doped Li4Ti5O_(12) compound has been characterized through the combined use of X-ray powder diffraction, electron paramagnetic resonance (EPR), ~7Li nuclear magnetic resonance magic-angle spinning (NMR-MAS), micro-Raman, and magnetization measurements. The doping, occurring on the octahedral site of the cubic Li4Ti5O_(12) spinel lattice, strongly affects both the local and the average structural properties. The glassy character of the observed EPR signals suggests structural disorder in the stable Li4Ti5O_(12) matrix and the presence of clustering phenomena or nonhomogeneous distribution of the dopant ion, as also supported by ~7Li NMR-MAS, micro-Raman, and magnetization results. The computation by numerical method of the complex EPR signal of the Cr-doped sample suggests that both Cr_(Ti) and Cr_(Li) substitutions occur, giving rise to two distinct EPR components, corresponding to opposite axial distortion of the relative octahedral environments. On the basis of the compositional data, defect models involving oxygen or cation vacancies are proposed to explain the conductivity of the doped material.
机译：Cr和Ni掺杂的Li4Ti5O_（12）化合物通过结合使用X射线粉末衍射，电子顺磁共振（EPR），〜7Li核磁共振幻角旋转（NMR-MAS）和微拉曼来表征以及磁化强度测量。发生在立方Li4Ti5O_（12）尖晶石晶格的八面体位点上的掺杂强烈地影响了局部和平均结构性质。观察到的EPR信号的玻璃状特征表明，稳定的Li4Ti5O_（12）基质中存在结构紊乱，并且存在簇聚现象或掺杂离子的非均匀分布，这也得到〜7Li NMR-MAS，微拉曼和磁化结果的支持。 Cr掺杂样品的复数EPR信号的数值计算表明，同时发生了Cr_（Ti）和Cr_（Li）取代，产生了两个不同的EPR分量，对应于相对八面体环境的相反轴向变形。根据组成数据，提出了涉及氧或阳离子空位的缺陷模型来解释掺杂材料的电导率。

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