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
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  Data: Atomistic and electronic insights into Ca<superscript>2+</superscript> and Li<superscript>+</superscript> intercalation in TiS<subscript>2</subscript>: a first-principles approach supported by electrochemical validation.
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  Data: <searchLink fieldCode="AU" term="%22Yang+S%22">Yang S</searchLink>; Department of Future Convergence Technology, Graduate School, Soonchunhyang University, Soonchunhyang- ro 22-gil, Sinchang-myeon, Asan-si, 31538, Chungcheongnam-do, Republic of Korea.<br /><searchLink fieldCode="AU" term="%22Lee+S%22">Lee S</searchLink>; Department of Future Convergence Technology, Graduate School, Soonchunhyang University, Soonchunhyang- ro 22-gil, Sinchang-myeon, Asan-si, 31538, Chungcheongnam-do, Republic of Korea.<br /><searchLink fieldCode="AU" term="%22Nogales+PM%22">Nogales PM</searchLink>; Department of Future Convergence Technology, Graduate School, Soonchunhyang University, Soonchunhyang- ro 22-gil, Sinchang-myeon, Asan-si, 31538, Chungcheongnam-do, Republic of Korea.<br /><searchLink fieldCode="AU" term="%22Kim+Y%22">Kim Y</searchLink>; Jeonju Center, Korea Basic Science Institute, Jeonju-si, 54907, Jeollabuk-do, Republic of Korea. kimyangsoo@kbsi.re.kr.<br /><searchLink fieldCode="AU" term="%22Jeong+SK%22">Jeong SK</searchLink>; 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.
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  Data: <searchLink fieldCode="JN" term="%22101563288%22">Scientific reports</searchLink> [Sci Rep] 2026 Mar 23; Vol. 16 (1). <i>Date of Electronic Publication: </i>2026 Mar 23.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Nature+Publishing+Group%22">Nature Publishing Group </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>101563288 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>2045-2322 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2220452322%22">20452322 </searchLink><i>NLM ISO Abbreviation: </i>Sci Rep <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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        Value: 10.1038/s41598-026-42087-w
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        Text: English
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      – TitleFull: Atomistic and electronic insights into Ca2+ and Li+ intercalation in TiS2: a first-principles approach supported by electrochemical validation.
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              Text: 2026 Mar 23
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