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The experimental study has been performed under near ambient conditions, where the presence of water vapor is unavoidable, resulting in a water film on the sample and, thereby, allowing us to mimic the solution\u2013water interface. Both experiment and theory conclude that 2-propanol adsorbs molecularly. The lack of dissociation is attributed to the adsorption geometry of 2-propanol in which the O\u2013H bond does not point toward the surface. Furthermore, the copresent water not only competitively adsorbs on the surface but also inhibits 2-propanol deprotonation. The calculations reveal that the presence of water deactivates the lattice oxygen, thereby reducing the surface activity. This finding sheds light on the multifaceted role of water at the interface for the electrochemical oxidation of 2-propanol in aqueous solution as recently reported [Falk et al., ChemCatChem 13, 2942\u20132951 (2021)]. At higher temperatures, 2-propanol remains molecularly adsorbed on Co3O4(001) until it desorbs with increasing surface temperature.<\/jats:p>","DOI":"10.1063\/5.0142707","type":"journal-article","created":{"date-parts":[[2023,4,27]],"date-time":"2023-04-27T13:15:25Z","timestamp":1682601325000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":19,"title":["2-Propanol interacting with Co3O4(001): A combined vSFS and AIMD study"],"prefix":"10.1063","volume":"158","author":[{"ORCID":"https:\/\/orcid.org\/0009-0008-1500-3067","authenticated-orcid":false,"given":"Amir H.","family":"Omranpoor","sequence":"first","affiliation":[{"name":"Fakult\u00e4t f\u00fcr Chemie, Universit\u00e4t Duisburg-Essen 1 , D-45117 Essen, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4338-9637","authenticated-orcid":false,"given":"Anupam","family":"Bera","sequence":"additional","affiliation":[{"name":"Fakult\u00e4t f\u00fcr Chemie, Universit\u00e4t Duisburg-Essen 1 , D-45117 Essen, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Denise","family":"Bullert","sequence":"additional","affiliation":[{"name":"Fakult\u00e4t f\u00fcr Chemie, Universit\u00e4t Duisburg-Essen 1 , D-45117 Essen, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8814-6316","authenticated-orcid":false,"given":"Matthias","family":"Linke","sequence":"additional","affiliation":[{"name":"Fakult\u00e4t f\u00fcr Chemie, Universit\u00e4t Duisburg-Essen 1 , D-45117 Essen, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8661-6038","authenticated-orcid":false,"given":"Soma","family":"Salamon","sequence":"additional","affiliation":[{"name":"Fakult\u00e4t f\u00fcr Physik, Universit\u00e4t Duisburg-Essen 2 , D-47057 Duisburg, Germany"},{"name":"Center for Nanointegration (CENIDE), Universit\u00e4t Duisburg-Essen 3 , D-47057 Duisburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Samira","family":"Webers","sequence":"additional","affiliation":[{"name":"Fakult\u00e4t f\u00fcr Physik, Universit\u00e4t Duisburg-Essen 2 , D-47057 Duisburg, Germany"},{"name":"Center for Nanointegration (CENIDE), Universit\u00e4t Duisburg-Essen 3 , D-47057 Duisburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8395-3541","authenticated-orcid":false,"given":"Heiko","family":"Wende","sequence":"additional","affiliation":[{"name":"Fakult\u00e4t f\u00fcr Physik, Universit\u00e4t Duisburg-Essen 2 , D-47057 Duisburg, Germany"},{"name":"Center for Nanointegration (CENIDE), Universit\u00e4t Duisburg-Essen 3 , D-47057 Duisburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9374-2868","authenticated-orcid":false,"given":"Eckart","family":"Hasselbrink","sequence":"additional","affiliation":[{"name":"Fakult\u00e4t f\u00fcr Chemie, Universit\u00e4t Duisburg-Essen 1 , D-45117 Essen, Germany"},{"name":"Center for Nanointegration (CENIDE), Universit\u00e4t Duisburg-Essen 3 , D-47057 Duisburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8148-7575","authenticated-orcid":false,"given":"Eckhard","family":"Spohr","sequence":"additional","affiliation":[{"name":"Fakult\u00e4t f\u00fcr Chemie, Universit\u00e4t Duisburg-Essen 1 , D-45117 Essen, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3622-2716","authenticated-orcid":false,"given":"St\u00e9phane","family":"Kenmoe","sequence":"additional","affiliation":[{"name":"Fakult\u00e4t f\u00fcr Chemie, Universit\u00e4t Duisburg-Essen 1 , D-45117 Essen, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2023,4,24]]},"reference":[{"key":"2023102614342458900_c1","doi-asserted-by":"publisher","first-page":"2942","DOI":"10.1002\/cctc.202100352","article-title":"Identification of active sites in the catalytic oxidation of 2-propanol over Co1+xFe2\u2212xO4 spinel oxides at solid\/liquid and solid\/gas interfaces","volume":"13","year":"2021","journal-title":"ChemCatChem"},{"key":"2023102614342458900_c2","doi-asserted-by":"publisher","first-page":"79","DOI":"10.1023\/a:1020556131984","article-title":"Fundamental principles of selective heterogeneous oxidation catalysis","volume":"21","year":"2002","journal-title":"Top. 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