{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T05:37:34Z","timestamp":1782884254159,"version":"3.54.5"},"reference-count":62,"publisher":"Royal Society of Chemistry (RSC)","issue":"38","license":[{"start":{"date-parts":[[2023,9,8]],"date-time":"2023-09-08T00:00:00Z","timestamp":1694131200000},"content-version":"am","delay-in-days":615,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100001659","name":"Deutsche Forschungsgemeinschaft","doi-asserted-by":"publisher","award":["388390466-TRR 247"],"award-info":[{"award-number":["388390466-TRR 247"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002347","name":"Bundesministerium f\u00fcr Bildung und Forschung","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100002347","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>\n                    Alcohols dissociate on Fe and at an oxygen vacancy, whereas their adsorption is mainly molecular on Co. Orientation of the alcohol skeleton such that the C\u2013O axis is perpendicular to the surface causes a blue-shift for the\n                    <jats:italic>\u03bd<\/jats:italic>\n                    (CO) stretching vibration.\n                  <\/jats:p>","DOI":"10.1039\/d2cp02480b","type":"journal-article","created":{"date-parts":[[2022,9,8]],"date-time":"2022-09-08T07:25:58Z","timestamp":1662621958000},"page":"23195-23208","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Interactions of water and short-chain alcohols with CoFe\n                    <sub>2<\/sub>\n                    O\n                    <sub>4<\/sub>\n                    (001) surfaces at low coverages"],"prefix":"10.1039","volume":"24","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1178-6091","authenticated-orcid":false,"given":"Arjeta","family":"Rushiti","sequence":"first","affiliation":[{"name":"Department of Theoretical Chemistry, Ruhr University Bochum, 44780 Bochum, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tobias","family":"Falk","sequence":"additional","affiliation":[{"name":"Laboratory of Industrial Chemistry, Ruhr University Bochum, 44780 Bochum, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5343-6922","authenticated-orcid":false,"given":"Martin","family":"Muhler","sequence":"additional","affiliation":[{"name":"Laboratory of Industrial Chemistry, Ruhr University Bochum, 44780 Bochum, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5752-2710","authenticated-orcid":false,"given":"Christof","family":"H\u00e4ttig","sequence":"additional","affiliation":[{"name":"Department of Theoretical Chemistry, Ruhr University Bochum, 44780 Bochum, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2022]]},"reference":[{"key":"D2CP02480B\/cit1\/1","doi-asserted-by":"crossref","first-page":"10121","DOI":"10.1021\/acs.chemrev.7b00051","volume":"117","author":"Zhao","year":"2017","journal-title":"Chem. Rev."},{"key":"D2CP02480B\/cit2\/1","doi-asserted-by":"crossref","first-page":"858","DOI":"10.1021\/acsenergylett.6b00369","volume":"1","author":"Bothra","year":"2016","journal-title":"ACS Energy Lett."},{"key":"D2CP02480B\/cit3\/1","doi-asserted-by":"crossref","first-page":"2988","DOI":"10.1002\/cctc.201700376","volume":"9","author":"Chakrapani","year":"2017","journal-title":"ChemCatChem"},{"key":"D2CP02480B\/cit4\/1","doi-asserted-by":"crossref","first-page":"11407","DOI":"10.1021\/jacs.5b06336","volume":"137","author":"Gu","year":"2015","journal-title":"J. Am. Chem. Soc."},{"key":"D2CP02480B\/cit5\/1","doi-asserted-by":"crossref","first-page":"15256","DOI":"10.1021\/acs.jpcc.7b04348","volume":"121","author":"Baidya","year":"2017","journal-title":"J. Phys. Chem. C"},{"key":"D2CP02480B\/cit6\/1","doi-asserted-by":"crossref","first-page":"2207","DOI":"10.1016\/j.proci.2014.06.111","volume":"35","author":"Tian","year":"2015","journal-title":"Proc. Combust. Inst."},{"key":"D2CP02480B\/cit7\/1","doi-asserted-by":"crossref","first-page":"62","DOI":"10.1016\/j.catcom.2013.07.042","volume":"42","author":"Hammiche-Bellal","year":"2013","journal-title":"Catal. Commun."},{"key":"D2CP02480B\/cit8\/1","doi-asserted-by":"crossref","first-page":"3677","DOI":"10.1021\/acs.inorgchem.9b03267","volume":"59","author":"H\u00e4hsler","year":"2020","journal-title":"Inorg. Chem."},{"key":"D2CP02480B\/cit9\/1","doi-asserted-by":"crossref","first-page":"104117","DOI":"10.1103\/PhysRevB.82.104117","volume":"82","author":"Fritsch","year":"2010","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D2CP02480B\/cit10\/1","doi-asserted-by":"crossref","first-page":"014406","DOI":"10.1103\/PhysRevB.86.014406","volume":"86","author":"Fritsch","year":"2012","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D2CP02480B\/cit11\/1","doi-asserted-by":"crossref","first-page":"113","DOI":"10.1016\/j.cattod.2007.05.009","volume":"127","author":"Cavani","year":"2007","journal-title":"Catal. Today"},{"key":"D2CP02480B\/cit12\/1","doi-asserted-by":"crossref","first-page":"13364","DOI":"10.1021\/jp048187u","volume":"108","author":"B\u00fcrgi","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"D2CP02480B\/cit13\/1","doi-asserted-by":"crossref","first-page":"5974","DOI":"10.1021\/acscatal.9b01048","volume":"9","author":"Anke","year":"2019","journal-title":"ACS Catal."},{"key":"D2CP02480B\/cit14\/1","doi-asserted-by":"crossref","first-page":"2942","DOI":"10.1002\/cctc.202100352","volume":"13","author":"Falk","year":"2021","journal-title":"ChemCatChem"},{"key":"D2CP02480B\/cit15\/1","doi-asserted-by":"crossref","first-page":"57","DOI":"10.1016\/j.jcat.2019.12.007","volume":"382","author":"Anke","year":"2020","journal-title":"J. Catal."},{"key":"D2CP02480B\/cit16\/1","doi-asserted-by":"crossref","first-page":"12443","DOI":"10.1002\/chem.201702248","volume":"23","author":"Friedel Ortega","year":"2017","journal-title":"Chem. \u2013 Eur. J."},{"key":"D2CP02480B\/cit17\/1","doi-asserted-by":"crossref","first-page":"16809","DOI":"10.1002\/chem.202102868","volume":"27","author":"Najafishirtari","year":"2021","journal-title":"Chem. \u2013 Eur. J."},{"key":"D2CP02480B\/cit18\/1","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1016\/j.catcom.2013.10.039","volume":"45","author":"Lv","year":"2014","journal-title":"Catal. Commun."},{"key":"D2CP02480B\/cit19\/1","doi-asserted-by":"crossref","first-page":"4257","DOI":"10.1021\/jp710484b","volume":"112","author":"Mei","year":"2008","journal-title":"J. Phys. Chem. C"},{"key":"D2CP02480B\/cit20\/1","doi-asserted-by":"crossref","first-page":"641","DOI":"10.1016\/j.susc.2009.01.003","volume":"603","author":"Watanabe","year":"2009","journal-title":"Surf. Sci."},{"key":"D2CP02480B\/cit21\/1","doi-asserted-by":"crossref","first-page":"135","DOI":"10.1016\/S1381-1169(97)00261-6","volume":"131","author":"Mavrikakis","year":"1998","journal-title":"J. Mol. Catal. A: Chem."},{"key":"D2CP02480B\/cit22\/1","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1016\/S0920-5861(03)00381-X","volume":"85","author":"Calatayud","year":"2003","journal-title":"Catal. Today"},{"key":"D2CP02480B\/cit23\/1","doi-asserted-by":"crossref","first-page":"17115","DOI":"10.1002\/chem.202102784","volume":"27","author":"Rushiti","year":"2021","journal-title":"Chem. \u2013 Eur. J."},{"key":"D2CP02480B\/cit24\/1","doi-asserted-by":"crossref","first-page":"11773","DOI":"10.1021\/acscatal.8b00574","volume":"8","author":"Hajiyani","year":"2018","journal-title":"ACS Catal."},{"key":"D2CP02480B\/cit25\/1","doi-asserted-by":"crossref","first-page":"14892","DOI":"10.1021\/acs.jpcc.6b03096","volume":"120","author":"Shi","year":"2016","journal-title":"J. Phys. Chem. C"},{"key":"D2CP02480B\/cit26\/1","doi-asserted-by":"crossref","first-page":"9774","DOI":"10.1021\/acs.jpcc.1c01881","volume":"125","author":"Rushiti","year":"2021","journal-title":"J. Phys. Chem. C"},{"key":"D2CP02480B\/cit27\/1","doi-asserted-by":"crossref","first-page":"174710","DOI":"10.1063\/1.3123527","volume":"130","author":"Burow","year":"2009","journal-title":"J. Chem. Phys."},{"key":"D2CP02480B\/cit29\/1","doi-asserted-by":"crossref","first-page":"6158","DOI":"10.1063\/1.478522","volume":"110","author":"Adamo","year":"1999","journal-title":"J. Chem. Phys."},{"key":"D2CP02480B\/cit30\/1","doi-asserted-by":"crossref","first-page":"3297","DOI":"10.1039\/b508541a","volume":"7","author":"Weigend","year":"2005","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D2CP02480B\/cit31\/1","doi-asserted-by":"crossref","first-page":"214101","DOI":"10.1063\/1.3267858","volume":"131","author":"Burow","year":"2009","journal-title":"J. Chem. Phys."},{"key":"D2CP02480B\/cit33\/1","doi-asserted-by":"crossref","first-page":"1321","DOI":"10.1080\/00268978800101811","volume":"65","author":"Igel-Mann","year":"1988","journal-title":"Mol. Phys."},{"key":"D2CP02480B\/cit34\/1","doi-asserted-by":"crossref","first-page":"1305","DOI":"10.1021\/ct300951j","volume":"9","author":"Plessow","year":"2013","journal-title":"J. Chem. Theory Comput."},{"key":"D2CP02480B\/cit35\/1","doi-asserted-by":"crossref","first-page":"503","DOI":"10.1016\/0009-2614(91)90115-P","volume":"182","author":"Helgaker","year":"1991","journal-title":"Chem. Phys. Lett."},{"key":"D2CP02480B\/cit36\/1","doi-asserted-by":"crossref","first-page":"124106","DOI":"10.1063\/1.2974099","volume":"129","author":"H\u00f8st","year":"2008","journal-title":"J. Chem. Phys."},{"key":"D2CP02480B\/cit37\/1","doi-asserted-by":"crossref","first-page":"3929","DOI":"10.1021\/acs.jpcc.6b12005","volume":"121","author":"Shi","year":"2017","journal-title":"J. Phys. Chem. C"},{"key":"D2CP02480B\/cit38\/1","volume-title":"Tables of Molecular Vibrational Frequencies Part 1.","author":"Shimanouchi","year":"1967","unstructured":"T.Shimanouchi ,  Tables of Molecular Vibrational Frequencies Part 1. ,  National Bureau of Standards ,  Washington, DC ,  1967"},{"key":"D2CP02480B\/cit39\/1","doi-asserted-by":"crossref","first-page":"693","DOI":"10.1063\/1.1723650","volume":"10","author":"Noether","year":"1942","journal-title":"J. Chem. Phys."},{"key":"D2CP02480B\/cit40\/1","doi-asserted-by":"crossref","first-page":"034706","DOI":"10.1063\/1.3671450","volume":"136","author":"Ko\u00dfmann","year":"2012","journal-title":"J. Chem. Phys."},{"key":"D2CP02480B\/cit41\/1","doi-asserted-by":"crossref","first-page":"162","DOI":"10.1016\/j.jcat.2012.12.001","volume":"299","author":"K\u00e4hler","year":"2013","journal-title":"J. Catal."},{"key":"D2CP02480B\/cit42\/1","doi-asserted-by":"crossref","first-page":"3090","DOI":"10.1021\/cm0211150","volume":"14","author":"Natile","year":"2002","journal-title":"Chem. Mater."},{"key":"D2CP02480B\/cit43\/1","doi-asserted-by":"crossref","first-page":"155","DOI":"10.1016\/0021-9517(80)90017-2","volume":"66","author":"Busca","year":"1980","journal-title":"J. Catal."},{"key":"D2CP02480B\/cit44\/1","doi-asserted-by":"crossref","first-page":"14998","DOI":"10.1021\/jp304355d","volume":"116","author":"Crocella","year":"2012","journal-title":"J. Phys. Chem. C"},{"key":"D2CP02480B\/cit45\/1","doi-asserted-by":"crossref","first-page":"8630","DOI":"10.1021\/acscatal.8b01237","volume":"8","author":"Lukashuk","year":"2018","journal-title":"ACS Catal."},{"key":"D2CP02480B\/cit46\/1","doi-asserted-by":"crossref","first-page":"23908","DOI":"10.1021\/jp409831t","volume":"117","author":"Ochoa","year":"2013","journal-title":"J. Phys. Chem. C"},{"key":"D2CP02480B\/cit47\/1","doi-asserted-by":"crossref","first-page":"8719","DOI":"10.1021\/jp0017184","volume":"104","author":"Wu","year":"2000","journal-title":"J. Phys. Chem. B"},{"key":"D2CP02480B\/cit48\/1","doi-asserted-by":"crossref","first-page":"1038","DOI":"10.1039\/C5GC02139A","volume":"18","author":"Vozniuk","year":"2016","journal-title":"Green Chem."},{"key":"D2CP02480B\/cit49\/1","doi-asserted-by":"crossref","first-page":"1932","DOI":"10.1039\/TF9706601932","volume":"66","author":"Barnes","year":"1970","journal-title":"Trans. Faraday Soc."},{"key":"D2CP02480B\/cit50\/1","doi-asserted-by":"crossref","first-page":"453","DOI":"10.1016\/S0920-5861(98)00441-6","volume":"49","author":"Busca","year":"1999","journal-title":"Catal. Today"},{"key":"D2CP02480B\/cit51\/1","doi-asserted-by":"crossref","first-page":"1626","DOI":"10.1021\/acscatal.6b03547","volume":"7","author":"Wang","year":"2017","journal-title":"ACS Catal."},{"key":"D2CP02480B\/cit52\/1","doi-asserted-by":"crossref","first-page":"4423","DOI":"10.1021\/acscatal.7b00783","volume":"7","author":"Foo","year":"2017","journal-title":"ACS Catal."},{"key":"D2CP02480B\/cit53\/1","doi-asserted-by":"crossref","first-page":"689","DOI":"10.1016\/j.apcatb.2011.05.046","volume":"106","author":"Gu","year":"2011","journal-title":"Appl. Catal., B"},{"key":"D2CP02480B\/cit54\/1","doi-asserted-by":"crossref","first-page":"13364","DOI":"10.1021\/jp048187u","volume":"108","author":"B\u00fcrgi","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"D2CP02480B\/cit55\/1","doi-asserted-by":"crossref","first-page":"17127","DOI":"10.1002\/chem.202102791","volume":"27","author":"Dreyer","year":"2021","journal-title":"Chem. \u2013 Eur. J."},{"key":"D2CP02480B\/cit56\/1","doi-asserted-by":"crossref","first-page":"1559","DOI":"10.1039\/TF9635901559","volume":"59","author":"Green","year":"1963","journal-title":"Trans. Faraday Soc."},{"key":"D2CP02480B\/cit57\/1","doi-asserted-by":"crossref","first-page":"4202","DOI":"10.1021\/jp055342b","volume":"110","author":"Arsac","year":"2006","journal-title":"J. Phys. Chem. A"},{"key":"D2CP02480B\/cit58\/1","doi-asserted-by":"crossref","first-page":"138","DOI":"10.1006\/jcat.1999.2794","volume":"191","author":"El-Maazawi","year":"2000","journal-title":"J. Catal."},{"key":"D2CP02480B\/cit59\/1","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1016\/S0926-860X(99)00461-5","volume":"196","author":"Fouad","year":"2000","journal-title":"Appl. Catal., A"},{"key":"D2CP02480B\/cit60\/1","doi-asserted-by":"crossref","first-page":"498","DOI":"10.1039\/C7TA09149D","volume":"6","author":"Ren","year":"2018","journal-title":"J. Mater. Chem. A"},{"key":"D2CP02480B\/cit61\/1","doi-asserted-by":"crossref","first-page":"202","DOI":"10.1016\/j.molstruc.2010.10.043","volume":"985","author":"Durig","year":"2011","journal-title":"J. Mol. Struc."},{"key":"D2CP02480B\/cit62\/1","doi-asserted-by":"crossref","first-page":"268","DOI":"10.1016\/j.apsusc.2014.11.159","volume":"327","author":"Fuente","year":"2015","journal-title":"Appl. Surf. Sci."},{"key":"D2CP02480B\/cit63\/1","doi-asserted-by":"crossref","first-page":"8209","DOI":"10.1063\/1.1355767","volume":"115","author":"Linke","year":"2001","journal-title":"J. Chem.\nPhys."},{"key":"D2CP02480B\/cit64\/1","doi-asserted-by":"crossref","first-page":"68","DOI":"10.1016\/S0039-6028(99)00186-7","volume":"425","author":"Loffreda","year":"1999","journal-title":"Surf. Sci."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2022\/CP\/D2CP02480B","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T04:25:10Z","timestamp":1782879910000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/24\/38\/23195-23208\/761616"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022]]},"references-count":62,"journal-issue":{"issue":"38","published-print":{"date-parts":[[2022,10,5]]}},"URL":"https:\/\/doi.org\/10.1039\/d2cp02480b","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022]]}}}