Strangmüller Stefan, Müller David, Raudaschl-Sieber Gabriele, Kirchhain Holger, van Wüllen Leo, Fässler Thomas F
Department of Chemistry, Technische Universität München, Lichtenbergstraße 4, 85747, Garching bei München, Germany.
Department of Chemistry Chair of Inorganic and Metal-Organic Chemistry, Technical University of Munich, Lichtenbergstraße 4, 85747, Garching bei München, Germany.
Chemistry. 2022 Feb 21;28(10):e202104219. doi: 10.1002/chem.202104219. Epub 2022 Jan 27.
The targeted search for suitable solid-state ionic conductors requires a certain understanding of the conduction mechanism and the correlation of the structures and the resulting properties of the material. Thus, the investigation of various ionic conductors with respect to their structural composition is crucial for the design of next-generation materials as demanded. We report here on Li SnP which completes with x=0 the series Li Sn P of the fast lithium-ion conductors α- and β-Li SnP (x=0.5) and Li SnP (x=1). Synthesis, crystal structure determination by single-crystal and powder X-ray diffraction methods, as well as Li, P and Sn MAS NMR and temperature-dependent Li NMR spectroscopy together with electrochemical impedance studies are reported. The correlation between the ionic conductivity and the occupation of octahedral and tetrahedral sites in a close-packed array of P atoms in the series of compounds is discussed. We conclude from this series that in order to receive fast ion conductors a partial occupation of the octahedral vacancies seems to be crucial.
寻找合适的固态离子导体需要对传导机制以及材料结构与其所产生性能之间的相关性有一定的了解。因此，针对各种离子导体的结构组成进行研究对于设计所需的下一代材料至关重要。我们在此报告LiSnP，当x = 0时，它完成了快速锂离子导体α-和β-LiSnP（x = 0.5）以及LiSnP（x = 1）的LiSnP系列。报告了通过单晶和粉末X射线衍射方法进行的合成、晶体结构测定，以及Li、P和Sn的MAS NMR和温度相关的Li NMR光谱以及电化学阻抗研究。讨论了该系列化合物中离子电导率与P原子密堆积阵列中八面体和四面体位置占据情况之间的相关性。我们从该系列得出结论，为了获得快速离子导体，八面体空位的部分占据似乎至关重要。
