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Structural analysis of imperfect Li2TiO3 crystals
Abstract
Abstract Li2TiO3 is a Li-rich cathode/anode material similar to Li2MnO3. These materials crystallize into monoclinic structures with ABC-stacked atomic layers, approximated by pseudo-trigonal cells. In these crystals, transition-metal layers are occupied not only by transition-metal atoms but also by Li atoms, forming ordered/disordered atomic arrangements. Faults Rietveld analysis was conducted, showing that Li2TiO3 crystalizes into a monoclinic structure with the space group C2/c, in which Li and Ti atoms are configured in an imperfectly ordered arrangement at the transition-metal layer and a large number of stacking faults are generated in the crystal. To precisely evaluate the site occupancies in such imperfect crystals, our structural analysis found that the structures should be analyzed by powder diffraction while taking stacking faults and atomic mixing into account. The atomic mixing at the transition-metal layer tends to gradually increase as the synthesis temperature is raised.
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“This crystal formation of Li2TiO3, also known as monoclinic β -phase Li2 TiO3, achieves nearly complete Li extraction (100%) to form monoclinic H2TiO3 when treated with acid at comparatively low temperatures (700 ° C).”
From A review of technologies for direct lithium extraction from low Li+ concentration aqueous solutions (2022) · cites this paper as Watanabe et al., 2020
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Cited by
A review of technologies for direct lithium extraction from low Li+ concentration aqueous solutions
Murphy, O., & Haji, M. N. (2022) · Frontiers in Chemical Engineering · doi:10.3389/fceng.2022.1008680 · Cited by 157
“, O/Li-Ti/O/Li/ O) that conform to the C2/c space group symmetry (Watanabe et al., 2020).”
Background
Metadata
- Authors
- Watanabe, A., Matsunaga, T., Abulikemu, A., Shimoda, K., Yamamoto, K., Uchiyama, T., & Uchimoto, Y.
- Affiliations
- Kyoto University (JP)
- Corresponding author
- Matsunaga, Toshiyuki
- ORCID
- Venue
- Journal of Alloys and Compounds
- Publisher
- Elsevier BV
- Published
- 2020-04
- Volume
- 819
- Pages
- 153037
- ISSN
- 0925-8388 (ISSN-L)
- OpenAlex
- W2985478219
- Cited by
- 11
- References
- 1
- Citations by year
- 2026: 3 · 2025: 1 · 2024: 1 · 2023: 1 · 2022: 3 · 2021: 1 · 2020: 1
- FWCI
- 0.45
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Journal of Alloys and Compounds (publishedVersion)
- Funders
- Japan Society for the Promotion of Science (18H03929)
- Topics
- Physical Sciences › Engineering › Electrical and Electronic Engineering › Advancements in Battery Materials
- Physical Sciences › Materials Science › Materials Chemistry › X-ray Diffraction in Crystallography
- Physical Sciences › Engineering › Electrical and Electronic Engineering › Advanced Battery Materials and Technologies
- Keywords
- Li2TiO3, lithium-rich cathode materials, Li2MnO3, monoclinic crystal structure, stacking faults, atomic mixing, site occupancy, transition metal layer, synthesis temperature, Rietveld refinement, powder diffraction
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- The paper
- Watanabe, A., Matsunaga, T., Abulikemu, A., Shimoda, K., Yamamoto, K., Uchiyama, T., & Uchimoto, Y. (2020). Structural analysis of imperfect Li2TiO3 crystals. Journal of Alloys and Compounds. https://doi.org/10.1016/j.jallcom.2019.153037
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
