Lithium Diffusion Pathway in Li1.3Al0.3Ti1.7(PO4)3 (LATP) Superionic Conductor
Lithium Diffusion Pathway in Li1.3Al0.3Ti1.7(PO4)3 (LATP) Superionic Conductor
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DOI：
10.1021/acs.inorgchem.5b02821
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发表时间：
2016-03-21
影响因子：
4.6
通讯作者：
Ehrenberg, Helmut
中科院分区：
文献类型：
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作者：
Monchak, Mykhailo;Hupfer, Thomas;Ehrenberg, Helmut
采用水基溶胶-凝胶法制备了Al取代的LiTi 2（PO 4）（3）粉体Li 1 + xAlxTi 2-x（PO 4）（3）（LATP）。采用高分辨率同步辐射X射线衍射和中子粉末衍射对不同温度下所得样品的晶体结构进行了表征。可能的锂扩散途径进行了初步评估，使用不同的键价方法。利用最大熵方法重建的负核密度图，提取了锂在LATP中的实验三维扩散路径。第一次显示了NASICON型超导体中确定锂扩散过程的能量景观的评估。
The Al-substituted LiTi2(PO4)(3) powders Li1+xAlxTi2-x(PO4)(3) (LATP) were successfully prepared by a water-based sol-gel process with subsequent calcination and sintering. The crystal structure of obtained samples was characterized at different temperatures using high-resolution synchrotron-based X-ray and neutron powder diffraction. Possible lithium diffusion pathways were initially evaluated using the difference bond-valence approach. Experimental 3D lithium diffusion pathway in LATP was extracted from the negative nuclear density maps reconstructed by the maximum entropy method. Evaluation of the energy landscape determining the lithium diffusion process in NASICON-type supertonic conductor is shown for the first time.