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The two systems exhibit sharply contrasting barrier character, with Pt\/Au(111) in a central-barrier regime (transition state H\u2013Cl bond length of 2.92 Bohr) and Au\/Pt(111) in a late-barrier regime (bond length of 3.89 Bohr). As a result, on Pt\/Au(111), translational energy is more effective than vibrational excitation in promoting the reaction, and all impact sites exhibit comparable reactivity. On Au\/Pt(111), by contrast, vibrational excitation is more effective than translational energy, and the top-site reactivity is three orders of magnitude lower than at the other sites. The rotational dynamics of HCl dissociation are equally distinct. Pt\/Au(111) displays a monotonic angular minimum energy path with a persistent helicopter alignment preference. Au\/Pt(111) exhibits a non-monotonic angular dependence induced by weak interfacial charge transfer, leading to a j-dependent inversion of alignment preference and modest rotational enhancement only at high rotational states. The opposite directions of interfacial charge transfer and surface strain in the two systems are responsible for their contrasting dynamical behavior.<\/jats:p>","DOI":"10.1063\/5.0350819","type":"journal-article","created":{"date-parts":[[2026,9,8]],"date-time":"2026-09-08T12:08:01Z","timestamp":1788869281000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":0,"title":["HCl dissociation on Pt\/Au(111) and Au\/Pt(111): Contrasting barrier characters and rotational dynamics"],"prefix":"10.1063","volume":"165","author":[{"given":"Xiansheng","family":"Huang","sequence":"first","affiliation":[{"name":"School of Sciences, Great Bay University 1 , Dongguan 523000,","place":["China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6011-9263","authenticated-orcid":false,"given":"Tianhui","family":"Liu","sequence":"additional","affiliation":[{"name":"School of Sciences, Great Bay University 1 , Dongguan 523000,","place":["China"]},{"name":"State Key Laboratory of Chemical Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences 2 , Dalian 116023,","place":["China"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2026,9,8]]},"reference":[{"key":"2026090808075734700_c1","volume-title":"Concepts of Modern Catalysis and Kinetics","year":"2003"},{"key":"2026090808075734700_c2","doi-asserted-by":"publisher","first-page":"8294","DOI":"10.1063\/1.464535","volume":"98","year":"1993","journal-title":"J.\u00a0Chem. 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