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Synthesis, crystal structure, and lithium ion conductivity of Li2.10Sn0.90O2.85
Solid State Ionics ( IF 3.0 ) Pub Date : 2021-03-26 , DOI: 10.1016/j.ssi.2021.115610
Hisanori Yamane , Takuji Ikeda

A white bulk sample of Li2.10Sn0.90O2.85 was prepared by heating a compact pellet of a Li2O and SnO2 powder mixture with a molar ratio of 1.10:0.95 at 1000 °C for 6 h in Ar and consisted of colorless transparent crystal grains with sizes in the range of 20–80 μm. X-ray diffraction (XRD) reflections from a single crystal taken from the grains were indexed with C-centered monoclinic cell parameters (a = 5.29120(10) Å, b = 9.2033(2) Å, c = 10.0676(2) Å, β = 100.5030(10)°). The crystal structure was determined with the space group C2/c (No. 15) using Li2SnO3 as a starting model. The final structure refinement was performed by partial substitution of Li+ for Sn4+ and the introduction of O2− defects with a formula of Li2(Li0.10Sn0.90)O2.85. Interstitial sites and continuous disordered distribution of Li+ ions were depicted in a differential Fourier synthesis map and an electron density distribution (EDD) map by the maximum entropy method (MEM). The disordered Li+ distribution was also revealed as broad peaks by 6Li magic-angle-spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy. The Li+ conductivity of Li2.10Sn0.90O2.85 measured at 25 °C was 1.0 × 10−6 S·cm−1, which was 105 times greater than that of Li2SnO3.



中文翻译:

Li 2.10 Sn 0.90 O 2.85的合成,晶体结构和锂离子电导率

通过在1000°C下在Ar中将摩尔比为1.10:0.95的Li 2 O和SnO 2粉末混合物的致密丸粒在Ar中加热6 h来制备Li 2.10 Sn 0.90 O 2.85的白色块状样品,该样品由无色透明组成。晶粒尺寸在20–80μm的范围内。来自晶粒的单晶的X射线衍射(XRD)反射采用以C为中心的单斜晶胞参数进行索引(a  = 5.29120(10)Å,b  = 9.2033(2)Å,c  = 10.0676(2)Å,β  = 100.5030(10)°)。用空间群C 2 / c确定晶体结构(No.15)使用Li 2 SnO 3作为起始模型。通过用Li +部分取代Sn 4+并引入具有通式Li 2(Li 0.10 Sn 0.90)O 2.85的O 2-缺陷来进行最终的结构细化。Li +离子的间隙位点和连续无序分布在微分傅里叶合成图和电子密度分布(EDD)图中通过最大熵方法(MEM)进行了描述。Li +分布无序也显示为6个宽峰李魔角自旋(MAS)核磁共振(NMR)光谱。在25℃下测得的Li 2.10 Sn 0.90 O 2.85的Li +电导率为1.0×10 -6  S·cm -1,是Li 2 SnO 3的10 5倍。

更新日期:2021-03-27
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