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Here we construct a niobium\u2010based single\u2010atom\/cluster composite catalyst (Nb\n                    <jats:sub>SA\/AC<\/jats:sub>\n                    ) on magnesium hydride (MgH\n                    <jats:sub>2<\/jats:sub>\n                    ), a representative hydrogen\u2010storage material. Nb\n                    <jats:sub>SA\/AC<\/jats:sub>\n                    enables MgH\n                    <jats:sub>2<\/jats:sub>\n                    to release approximately 4 wt.% H\n                    <jats:sub>2<\/jats:sub>\n                    at a temperature as low as 175\u00b0C, outperforming both Nb single\u2010atom and cluster catalysts, as well as most reported catalysts. Theoretical calculations reveal a synergistic mechanism of \u201csingle\u2010atom\u2010induced interfacial electron polarization of adjacent clusters,\u201d clarifying that the clusters act as the main active sites, while the single atoms serve as electronic regulators. During dehydrogenation, Nb single atoms induce a strong electron\u2010deficiency at Nb cluster, weakening the Mg\u2500H bond and promoting hydrogen migration from MgH\n                    <jats:sub>2<\/jats:sub>\n                    to Nb clusters. During hydrogenation, the single atoms moderately increase the electron density of the clusters, shifting electrons toward higher energy states near the Fermi level, which potentially destabilizes Nb\u2013H interactions and accelerates hydrogen diffusion into the Mg matrix. This work elucidates, for the first time at the atomic scale, the cooperative catalytic mechanism of single\u2010atom\/cluster composites on MgH\n                    <jats:sub>2<\/jats:sub>\n                    , providing guidance for the design of efficient hydrogen\u2010spillover catalysts.\n                  <\/jats:p>","DOI":"10.1002\/smll.73813","type":"journal-article","created":{"date-parts":[[2026,5,15]],"date-time":"2026-05-15T12:54:07Z","timestamp":1778849647000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Single\u2011Atom\u2011Induced Electronic Polarization at Adjacent Cluster Promotes Efficient Hydrogen Storage in Magnesium Hydride"],"prefix":"10.1002","volume":"22","author":[{"given":"Ruonan","family":"Liu","sequence":"first","affiliation":[{"name":"School of Materials Science and Engineering Beihang University  Beijing China"},{"name":"Tianmushan Laboratory Beihang University  Hangzhou 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