Crystal Growth and Structural Analysis of Layered Lithium Titanium Sulfide

IF 4.3 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Pub Date : 2025-01-23 DOI:10.1021/acs.inorgchem.4c03864

Fumitaka Hayashi, Maru Kashiwazaki, Masaki Moriwaki, Tetsuya Yamada, Hiroshi Ohki, Taku Iiyama, Katsuya Teshima

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Abstract

Layered sulfide crystals are suitable hosts for lithium and sodium ions in batteries. In this study, new layered lithium titanium sulfide (LTS) crystals were grown in a sealed silica tube using a Li₂S self-flux at 800–950 °C. X-ray diffraction (XRD) analysis results indicated the formation of a new sulfide phase with higher symmetry in the Li–Ti–S system. The chemical compositions of the resulting crystals were estimated to be Li_1.8TiS_2.7 from elemental analysis, and indexing the XRD pattern of LTS afforded lattice constants and the monoclinic space group C2/m (no. 12). Based on these results, an initial structural model of LTS was constructed and verified using Rietveld refinement. The characterization results indicated that the grown LTS crystals had a layered structure with lithium and silicon deficiencies in Li₂TiS₃. The use of Li₂S self-flux at 950 °C enabled the effective growth of LTS crystals with sizes of 10–20 μm. Electrochemical measurements confirmed the Li⁺ insertion-extraction characteristics of the LTS crystals.

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层状硫化钛锂晶体生长及结构分析

层状硫化物晶体是电池中锂离子和钠离子的合适宿主。在本研究中，利用Li2S自通量在800-950℃的密封硅管内生长了新的层状硫化钛锂（LTS）晶体。x射线衍射（XRD）分析结果表明，在Li-Ti-S体系中形成了一种新的具有较高对称性的硫化物相。元素分析表明，所得晶体的化学成分为Li1.8TiS2.7，并对LTS的XRD谱图进行索引，得到了晶格常数和单斜空间群C2/m (no。12)。基于这些结果，构建了LTS的初始结构模型，并使用Rietveld细化进行了验证。表征结果表明，生长的LTS晶体具有层状结构，Li2TiS3中缺乏锂和硅。在950℃下使用Li2S自磁通可以有效地生长出尺寸为10 ~ 20 μm的LTS晶体。电化学测量证实了LTS晶体的Li+插入-提取特性。

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来源期刊

Inorganic Chemistry 化学-无机化学与核化学

CiteScore

7.60

自引率

13.00%

发文量

1960

审稿时长

1.9 months

期刊介绍： Inorganic Chemistry publishes fundamental studies in all phases of inorganic chemistry. Coverage includes experimental and theoretical reports on quantitative studies of structure and thermodynamics, kinetics, mechanisms of inorganic reactions, bioinorganic chemistry, and relevant aspects of organometallic chemistry, solid-state phenomena, and chemical bonding theory. Emphasis is placed on the synthesis, structure, thermodynamics, reactivity, spectroscopy, and bonding properties of significant new and known compounds.