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In this study, we investigate the atomic-scale dynamics and mechanism of vanadium (V) self-intercalation in multi-layer 1T-VSe\n                    <jats:sub>2<\/jats:sub>\n                    using\n                    <jats:italic>in situ<\/jats:italic>\n                    high resolution scanning transmission electron microscopy. The results reveal that the self-intercalation of V induces structural transformation of pristine VSe\n                    <jats:sub>2<\/jats:sub>\n                    into three V-enrich intercalated compounds, i.e. V\n                    <jats:sub>5<\/jats:sub>\n                    Se\n                    <jats:sub>8<\/jats:sub>\n                    , V\n                    <jats:sub>3<\/jats:sub>\n                    Se\n                    <jats:sub>4<\/jats:sub>\n                    and VSe. The self-intercalated V follows an ordered arrangement of\n                    <jats:inline-formula>\n                      <jats:tex-math>\n                        \n                      <\/jats:tex-math>\n                      <mml:math xmlns:mml=\"http:\/\/www.w3.org\/1998\/Math\/MathML\" overflow=\"scroll\">\n                        <mml:mn>2<\/mml:mn>\n                        <mml:mo>\u00d7<\/mml:mo>\n                        <mml:mn>2<\/mml:mn>\n                      <\/mml:math>\n                    <\/jats:inline-formula>\n                    ,\n                    <jats:inline-formula>\n                      <jats:tex-math>\n                        \n                      <\/jats:tex-math>\n                      <mml:math xmlns:mml=\"http:\/\/www.w3.org\/1998\/Math\/MathML\" overflow=\"scroll\">\n                        <mml:mn>2<\/mml:mn>\n                        <mml:mo>\u00d7<\/mml:mo>\n                        <mml:mn>1<\/mml:mn>\n                      <\/mml:math>\n                    <\/jats:inline-formula>\n                    , and\n                    <jats:inline-formula>\n                      <jats:tex-math>\n                        \n                      <\/jats:tex-math>\n                      <mml:math xmlns:mml=\"http:\/\/www.w3.org\/1998\/Math\/MathML\" overflow=\"scroll\">\n                        <mml:mn>1<\/mml:mn>\n                        <mml:mo>\u00d7<\/mml:mo>\n                        <mml:mn>1<\/mml:mn>\n                      <\/mml:math>\n                    <\/jats:inline-formula>\n                    within the interlayer octahedral sites, corresponding to an intercalation concentration of 25%, 50% and 100% in V\n                    <jats:sub>5<\/jats:sub>\n                    Se\n                    <jats:sub>8<\/jats:sub>\n                    , V\n                    <jats:sub>3<\/jats:sub>\n                    Se\n                    <jats:sub>4<\/jats:sub>\n                    and VSe, respectively. The V intercalants induced lattice distortions to the host 1T-VSe\n                    <jats:sub>2<\/jats:sub>\n                    such as the dimerization of neighboring lattice V is observed experimentally, which are further supported by density functional theory (DFT) calculations. Finally, a superstructure model generalizing the possible structures of self-intercalated compounds in layered TMDCs is proposed and then validated by the DFT determined formation energy landscape. This study provides comprehensive insights on the kinetics and mechanism of the self-intercalation in layered TMDC materials, contributing to the precise control for the structure and stoichiometry of self-intercalated TMDC compounds.\n                  <\/jats:p>","DOI":"10.1088\/2053-1583\/ad2193","type":"journal-article","created":{"date-parts":[[2024,1,23]],"date-time":"2024-01-23T17:25:31Z","timestamp":1706030731000},"page":"025014","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":6,"title":["Unraveling the mechanism of vanadium self-intercalation in 1T-VSe\n                    <sub>2<\/sub>\n                    : atomic-scale evidence for phase transition and superstructure model for intercalation compound"],"prefix":"10.1088","volume":"11","author":[{"given":"Daliang","family":"He","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bo","family":"Wang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wang","family":"Cao","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yongjun","family":"Jiang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5787-0179","authenticated-orcid":true,"given":"Sheng","family":"Dai","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1814-9466","authenticated-orcid":true,"given":"Wei","family":"Zhao","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiaodong","family":"Cui","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8845-5664","authenticated-orcid":true,"given":"Chuanhong","family":"Jin","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"266","published-online":{"date-parts":[[2024,2,1]]},"reference":[{"key":"tdmad2193bib1","doi-asserted-by":"publisher","first-page":"1113","DOI":"10.1038\/s41563-021-00971-y","article-title":"Metastable 1T\u2019-phase group VIB transition metal dichalcogenide crystals","volume":"20","author":"Lai","year":"2021","journal-title":"Nat. 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