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Atomistic and electronic insights into Ca2+ and Li+ intercalation in TiS2: a first-principles approach supported by electrochemical validation.

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Title: Atomistic and electronic insights into Ca2+ and Li+ intercalation in TiS2: a first-principles approach supported by electrochemical validation.
Authors: Yang S; Department of Future Convergence Technology, Graduate School, Soonchunhyang University, Soonchunhyang- ro 22-gil, Sinchang-myeon, Asan-si, 31538, Chungcheongnam-do, Republic of Korea., Lee S; Department of Future Convergence Technology, Graduate School, Soonchunhyang University, Soonchunhyang- ro 22-gil, Sinchang-myeon, Asan-si, 31538, Chungcheongnam-do, Republic of Korea., Nogales PM; Department of Future Convergence Technology, Graduate School, Soonchunhyang University, Soonchunhyang- ro 22-gil, Sinchang-myeon, Asan-si, 31538, Chungcheongnam-do, Republic of Korea., Kim Y; Jeonju Center, Korea Basic Science Institute, Jeonju-si, 54907, Jeollabuk-do, Republic of Korea. kimyangsoo@kbsi.re.kr., Jeong SK; Department of Future Convergence Technology, Graduate School, Soonchunhyang University, Soonchunhyang- ro 22-gil, Sinchang-myeon, Asan-si, 31538, Chungcheongnam-do, Republic of Korea. hamin611@sch.ac.kr.; Department of Energy Engineering, Soonchunhyang University, Soonchunhyang-ro 22-gil, Sinchang-myeon, Asan-si, 31538, Chungcheongnam-do, Republic of Korea. hamin611@sch.ac.kr.; Advanced Energy Research Center, Soonchunhyang University, Soonchunhyang-ro 22-gil, Sinchang-myeon, Asan-si, 31538, Chungcheongnam-do, Republic of Korea. hamin611@sch.ac.kr.
Source: Scientific reports [Sci Rep] 2026 Mar 23; Vol. 16 (1). Date of Electronic Publication: 2026 Mar 23.
Publication Type: Journal Article
Journal Info: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN: 2045-2322 (Electronic) Linking ISSN: 20452322 NLM ISO Abbreviation: Sci Rep Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:2045-2322
DOI:10.1038/s41598-026-42087-w