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Interest in hydrogen storage within carbon nanotube bundles has grown because it addresses practical energy needs while revealing rich confined-fluid physics. Understanding how geometry and defects influence hydrogen structure and dynamics is essential to the development of effective storage materials. Here, we investigate how confinement in single-walled carbon nanotube (SWCNT) bundles with vacancies alters the spatial distribution and phase behavior of physisorbed hydrogen. At low temperature, hydrogen forms solid-like, cylindrical layered structures both inside and outside the tubes. Raising the temperature broadens these layers and produces a liquid-like arrangement within the confined regions. This confined solid-to-liquid crossover controls storage capacity and release behavior and can be tuned by temperature, confinement dimensions, and vacancy defects.<\/jats:p>","DOI":"10.3390\/e28040415","type":"journal-article","created":{"date-parts":[[2026,4,7]],"date-time":"2026-04-07T09:40:31Z","timestamp":1775554831000},"page":"415","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Confinement-Tunable Spatial Distribution of Physisorbed Hydrogen in Defective Carbon Nanotube Bundles"],"prefix":"10.3390","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0009-0005-8709-0444","authenticated-orcid":false,"given":"Shuming","family":"Yang","sequence":"first","affiliation":[{"name":"Center for Advanced Quantum Studies, School of Physics and Astronomy, Beijing Normal University, Beijing 100875, China"},{"name":"Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China"},{"name":"School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0001-9701-1165","authenticated-orcid":false,"given":"Kun","family":"Qiu","sequence":"additional","affiliation":[{"name":"Center for Advanced Quantum Studies, School of Physics and Astronomy, Beijing Normal University, Beijing 100875, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0241-0364","authenticated-orcid":false,"given":"Gang","family":"Sun","sequence":"additional","affiliation":[{"name":"Center for Advanced Quantum Studies, School of Physics and Astronomy, Beijing Normal University, Beijing 100875, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0005-0106-7439","authenticated-orcid":false,"given":"Huaze","family":"Shen","sequence":"additional","affiliation":[{"name":"School of Electronic and Information Engineering, Chongqing University of Arts and Sciences, Chongqing 402160, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2026,4,7]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"204712","DOI":"10.1063\/1.4879656","article-title":"Physisorption of molecular hydrogen on carbon nanotube with vacant defects","volume":"140","author":"Sun","year":"2014","journal-title":"J. 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