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acsami.2c07337.pdf | 1.43 MB | Adobe PDF | 見る/開く |
タイトル: | Anion Redox in an Amorphous Titanium Polysulfide |
著者: | Shimoda, Keiji Kuratani, Kentaro Kobayashi, Shunsuke Takeuchi, Tomonari Murakami, Miwa https://orcid.org/0000-0001-6209-4450 (unconfirmed) Kuwabara, Akihide Sakaebe, Hikari |
著者名の別形: | 下田, 景士 村上, 美和 |
キーワード: | lithium−sulfur batteries amorphous transition-metal polysulfides anion redox operando NMR spectroscopy X-ray photoelectron spectroscopy density functional calculations |
発行日: | 13-Jul-2022 |
出版者: | American Chemical Society (ACS) |
誌名: | ACS Applied Materials & Interfaces |
巻: | 14 |
号: | 29 |
開始ページ: | 33191 |
終了ページ: | 33199 |
抄録: | Amorphous transition-metal polysulfides are promising positive electrode materials for next-generation rechargeable lithium-ion batteries because of their high theoretical capacities. In this study, sulfur anion redox during lithiation of amorphous TiS₄ (a-TiS₄) was investigated by using experimental and theoretical methods. It was found that a-TiS₄ has a variety of sulfur valence states such as S²⁻, S⁻, and S[δ−]. The S²⁻ species became the main component in the Li₄TiS₄ composition, indicating that sulfur is a redox-active element up to this composition. The simulated a-TiS₄ structure changed gradually by lithium accommodation to form a-Li₄TiS₄: S–S bonds in the disulfide units and polysulfide chains were broken. Bader charge analysis suggested that the average S valency decreased drastically. Moreover, deep lithiation of a-TiS₄ provided a conversion reaction to metallic Ti and Li₂S, with a high practical capacity of ∼1000 mAh g⁻¹ when a lower cutoff voltage was applied. |
著作権等: | This document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Applied Materials & Interfaces, Copyright © 2022 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acsami.2c07337. The full-text file will be made open to the public on 13 July 2023 in accordance with publisher's 'Terms and Conditions for Self-Archiving'. This is not the published version. Please cite only the published version. この論文は出版社版でありません。引用の際には出版社版をご確認ご利用ください。 |
URI: | http://hdl.handle.net/2433/275966 |
DOI(出版社版): | 10.1021/acsami.2c07337 |
PubMed ID: | 35829727 |
出現コレクション: | 学術雑誌掲載論文等 |
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