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Single\u2010atom catalysts (SACs) show great potential in AP catalysis, but systematic research on their regulation of AP decomposition and propellant combustion remains insufficient. Herein, four carbon black\u2010supported transition metal single\u2010atom catalysts (M\u2010SACs, M = Fe, Co, Ni, Cu) were prepared via a coordination adsorption\u2010pyrolysis strategy, and their atomic dispersion and coordination structure were systematically characterized. Thermal tests demonstrate that Cu\u2010SAC delivers the best catalytic performance, reducing AP's high\u2010temperature decomposition peak by 103.6\u00b0C, increasing heat release by 4.1 times, and lowering activation energy by 96.3 kJ\/mol. Molecular dynamics simulations confirm that Cu\u2010N active sites strongly adsorb key intermediates (NH\n                    <jats:sub>3<\/jats:sub>\n                    and HClO) and weakly bind final products, providing a thermodynamic basis for its superior catalytic activity. In AP\u2010based propellants, Cu\u2010SAC increases burning rate by 25.6% and shortens ignition delay by 23.1%, while effectively suppressing molten aluminum agglomeration and reducing condensed combustion product size by 61%. This work establishes the multi\u2010scale structure\u2010activity relationship of Cu\u2010N coordination, offering a new route for the design of high\u2010performance propellant combustion catalysts.\n                  <\/jats:p>","DOI":"10.1002\/smll.74924","type":"journal-article","created":{"date-parts":[[2026,7,30]],"date-time":"2026-07-30T08:21:24Z","timestamp":1785399684000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Revealing the Effect of Copper Single\u2010Atom Catalyst for Improved Energy Release of Ammonium Perchlorate"],"prefix":"10.1002","volume":"22","author":[{"given":"Yichen","family":"Li","sequence":"first","affiliation":[{"name":"National Special Superfine Powder Engineering Research Center of China, School of Chemistry and Chemical Engineering Nanjing University of Science and Technology Nanjing 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