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Herein, contrasting ionic conduction behaviors in I\n                    <jats:sup>\u2212<\/jats:sup>\n                    and Br\n                    <jats:sup>\u2212<\/jats:sup>\n                    substituted Li\n                    <jats:sub>2<\/jats:sub>\n                    ZrCl\n                    <jats:sub>6<\/jats:sub>\n                    are revealed by combining experimental structural analyses and theoretical calculations. The inter\u2010slab distance along the\n                    <jats:italic>c<\/jats:italic>\n                    \u2010axis, which varies with the anion substitution and M2\u2010M3 site disorder, is a key factor for opening the\n                    <jats:italic>ab<\/jats:italic>\n                    \u2010plane conduction and facilitating the overall Li\n                    <jats:sup>+<\/jats:sup>\n                    conduction. Increased M3 site occupancy generally leads to contracted inter\u2010slab distance. The substantial increase in Li\n                    <jats:sup>+<\/jats:sup>\n                    conductivity upon I substitution (from 0.40 to 0.91 mS cm\n                    <jats:sup>\u22121<\/jats:sup>\n                    ) originates from a sufficiently expanded lattice volume owing to its large ionic radii (I\n                    <jats:sup>\u2212<\/jats:sup>\n                    = 2.20 \u00c5), particularly inter\u2010slab distance that facilitates the\n                    <jats:italic>ab<\/jats:italic>\n                    intra\u2010plane Li\n                    <jats:sup>+<\/jats:sup>\n                    conduction, which also benefits from decreased M2\u2010M3 disorder. In contrast, Br (Br\n                    <jats:sup>\u2212<\/jats:sup>\n                    = 1.96 \u00c5) substitution results in insufficiently expanded Li\n                    <jats:sup>+<\/jats:sup>\n                    channels, which, exacerbated by increased M2\u2010M3 disorder, leads to degradation in Li\n                    <jats:sup>+<\/jats:sup>\n                    conductivity. Implementing I\n                    <jats:sup>\u2212<\/jats:sup>\n                    substituted Li\n                    <jats:sub>2<\/jats:sub>\n                    ZrCl\n                    <jats:sub>6<\/jats:sub>\n                    resulted in superior electrochemical performance in LiCoO\n                    <jats:sub>2<\/jats:sub>\n                    ||Li\u2010In cells compared to those with an unsubstituted catholyte.\n                  <\/jats:p>","DOI":"10.1002\/smll.202505926","type":"journal-article","created":{"date-parts":[[2025,9,3]],"date-time":"2025-09-03T05:45:47Z","timestamp":1756878347000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":14,"title":["Mechanism of Contrasting Ionic Conductivities in Li\n                    <sub>2<\/sub>\n                    ZrCl\n                    <sub>6<\/sub>\n                    via I and Br Substitution"],"prefix":"10.1002","volume":"21","author":[{"given":"Yeji","family":"Choi","sequence":"first","affiliation":[{"name":"School of Chemical and Biomolecular Engineering Yonsei University  Seoul 03722 Republic of Korea"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hiram","family":"Kwak","sequence":"additional","affiliation":[{"name":"School of Chemical and Biomolecular Engineering Yonsei University  Seoul 03722 Republic of Korea"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jae\u2010Seung","family":"Kim","sequence":"additional","affiliation":[{"name":"Department of Materials Science and Engineering Korea Advanced Institute of Science and Technology (KAIST)  Daejeon 34141 Republic of Korea"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Daseul","family":"Han","sequence":"additional","affiliation":[{"name":"Department of Energy and Materials Engineering Dongguk University  Seoul 04620 Republic of 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