{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,9,20]],"date-time":"2025-09-20T06:52:25Z","timestamp":1758351145996,"version":"3.44.0"},"reference-count":31,"publisher":"Wiley","issue":"17","license":[{"start":{"date-parts":[[2025,8,11]],"date-time":"2025-08-11T00:00:00Z","timestamp":1754870400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["Project ID No. 388390466\u2014CRC\/TRR 247"],"award-info":[{"award-number":["Project ID No. 388390466\u2014CRC\/TRR 247"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemPhysChem"],"published-print":{"date-parts":[[2025,9,10]]},"abstract":"<jats:p>The interaction between 2\u2010propanol and low\u2010index facets of cobalt ferrite thin films under near\u2010ambient conditions has been studied using surface\u2010sensitive vibrational sum frequency spectroscopy (vSFS) and ab initio molecular dynamics (AIMD) simulations. The experimental and theoretical findings suggest that 2\u2010propanol undergoes molecular and dissociative adsorption on different facets of CoFe<jats:sub>2<\/jats:sub>O<jats:sub>4<\/jats:sub>. Dissociation was found to be more prevalent on the (111) surface than on the (001) surface. Under dry conditions, the active regions on the (111) surface consist of Co<jats:sup>2+<\/jats:sup>\u2013O<jats:sub>2<\/jats:sub>\u2013propoxide\u2013Fe<jats:sup>3+<\/jats:sup> bridges. In contrast, the Co<jats:sup>2+<\/jats:sup> surface atoms are inactive on the (001) surface under dry conditions. The Fe<jats:sup>3+<\/jats:sup> surface atoms are the preferred adsorption sites. Molecular water plays a detrimental role because it competitively adsorbs onto the active sites with 2\u2010propanol, inhibiting its decomposition. Moreover, OH groups with a lower concentration promote the formation of 2\u2010propoxide. These results contrast with our recent study in which 2\u2010propanol remained molecularly adsorbed on the Co<jats:sub>3<\/jats:sub>O<jats:sub>4<\/jats:sub> (001) surface. These findings underscore the ambivalent role of hydroxyl groups on surfaces and also highlight the importance of dissociation state and water concentration as critical parameters for 2\u2010propanol activation.<\/jats:p>","DOI":"10.1002\/cphc.202500095","type":"journal-article","created":{"date-parts":[[2025,8,11]],"date-time":"2025-08-11T10:26:11Z","timestamp":1754907971000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Probing Facet Specific Interaction of 2\u2010Propanol and CoFe<sub>2<\/sub>O<sub>4<\/sub> at Near\u2010Ambient Conditions"],"prefix":"10.1002","volume":"26","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4338-9637","authenticated-orcid":false,"given":"Anupam","family":"Bera","sequence":"first","affiliation":[{"name":"School of Chemistry University of Hyderabad  Prof. C.R. 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