Please use this identifier to cite or link to this item: https://doi.org/10.15480/882.2397
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dc.contributor.authorArndt, Björn-
dc.contributor.authorSellschopp, Kai-
dc.contributor.authorCreutzburg, Marcus-
dc.contributor.authorGrånäs, Elin-
dc.contributor.authorKrausert, Konstantin-
dc.contributor.authorVonk, Vedran-
dc.contributor.authorMüller, Stefan-
dc.contributor.authorNoei, Heshmat-
dc.contributor.authorFeldbauer, Gregor-
dc.contributor.authorStierle, Andreas-
dc.date.accessioned2019-09-09T08:52:21Z-
dc.date.available2019-09-09T08:52:21Z-
dc.date.issued2019-08-09-
dc.identifier.citationCommunications Chemistry 1 (2): 92 (2019-12-01)de_DE
dc.identifier.issn2399-3669de_DE
dc.identifier.urihttp://hdl.handle.net/11420/3319-
dc.description.abstractA fundamental knowledge of the interaction of carboxylic acids, such as formic acid, with magnetite surfaces is of prime importance for heterogeneous catalysis and the synthesis of novel materials. Despite this, little is known about the atomic scale adsorption mechanisms. Here we show by in-situ surface X-ray diffraction that the oxygen rich subsurface cation vacancy reconstruction of the clean magnetite (001) surface is lifted by dissociative formic acid adsorption, reestablishing a surface with bulk stoichiometry. Using density functional theory, the bulk terminated, fully formic acid covered surface is calculated to be more stable than the corresponding clean, reconstructed surface. A comparison of calculated and experimental infrared bands supports the bidentate adsorption geometry and a specific adsorption site. Our results pave the way for a fundamental understanding of the bonding mechanism at carboxylic acid/oxide interfaces.en
dc.description.sponsorshipFunded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation)–Projektnummer 192346071–SFB 986.de_DE
dc.language.isoende_DE
dc.publisherMacmillan Publishers Limited, part of Springer Naturede_DE
dc.relation.ispartofCommunications chemistryde_DE
dc.subject.ddc600: Technikde_DE
dc.titleCarboxylic acid induced near-surface restructuring of a magnetite surfacede_DE
dc.typeArticlede_DE
dc.identifier.urnurn:nbn:de:gbv:830-882.048161-
dc.identifier.doi10.15480/882.2397-
dc.type.diniarticle-
dc.subject.ddccode600-
dcterms.DCMITypeText-
tuhh.identifier.urnurn:nbn:de:gbv:830-882.048161-
tuhh.oai.showtruede_DE
tuhh.abstract.englishA fundamental knowledge of the interaction of carboxylic acids, such as formic acid, with magnetite surfaces is of prime importance for heterogeneous catalysis and the synthesis of novel materials. Despite this, little is known about the atomic scale adsorption mechanisms. Here we show by in-situ surface X-ray diffraction that the oxygen rich subsurface cation vacancy reconstruction of the clean magnetite (001) surface is lifted by dissociative formic acid adsorption, reestablishing a surface with bulk stoichiometry. Using density functional theory, the bulk terminated, fully formic acid covered surface is calculated to be more stable than the corresponding clean, reconstructed surface. A comparison of calculated and experimental infrared bands supports the bidentate adsorption geometry and a specific adsorption site. Our results pave the way for a fundamental understanding of the bonding mechanism at carboxylic acid/oxide interfaces.de_DE
tuhh.publisher.doi10.1038/s42004-019-0197-1-
tuhh.publication.instituteKeramische Hochleistungswerkstoffe M-9de_DE
tuhh.identifier.doi10.15480/882.2397-
tuhh.type.opus(wissenschaftlicher) Artikel-
tuhh.institute.germanKeramische Hochleistungswerkstoffe M-9de
tuhh.institute.englishKeramische Hochleistungswerkstoffe M-9de_DE
tuhh.gvk.hasppnfalse-
dc.type.driverarticle-
dc.rights.cchttps://creativecommons.org/licenses/by/4.0/de_DE
dc.type.casraiJournal Article-
tuhh.container.issue1de_DE
tuhh.container.volume2de_DE
dc.rights.nationallicensefalsede_DE
tuhh.container.articlenumber92de_DE
item.languageiso639-1other-
item.creatorOrcidArndt, Björn-
item.creatorOrcidSellschopp, Kai-
item.creatorOrcidCreutzburg, Marcus-
item.creatorOrcidGrånäs, Elin-
item.creatorOrcidKrausert, Konstantin-
item.creatorOrcidVonk, Vedran-
item.creatorOrcidMüller, Stefan-
item.creatorOrcidNoei, Heshmat-
item.creatorOrcidFeldbauer, Gregor-
item.creatorOrcidStierle, Andreas-
item.grantfulltextopen-
item.fulltextWith Fulltext-
item.creatorGNDArndt, Björn-
item.creatorGNDSellschopp, Kai-
item.creatorGNDCreutzburg, Marcus-
item.creatorGNDGrånäs, Elin-
item.creatorGNDKrausert, Konstantin-
item.creatorGNDVonk, Vedran-
item.creatorGNDMüller, Stefan-
item.creatorGNDNoei, Heshmat-
item.creatorGNDFeldbauer, Gregor-
item.creatorGNDStierle, Andreas-
crisitem.author.deptKeramische Hochleistungswerkstoffe M-9-
crisitem.author.deptKeramische Hochleistungswerkstoffe M-9-
crisitem.author.deptKeramische Hochleistungswerkstoffe M-9-
crisitem.author.orcid0000-0002-2761-3486-
crisitem.author.orcid0000-0002-0003-2075-
crisitem.author.orcid0000-0001-9854-1101-
crisitem.author.orcid0000-0003-1294-3527-
crisitem.author.orcid0000-0002-9327-0450-
crisitem.author.orcid0000-0002-0303-6282-
crisitem.author.parentorgStudiendekanat Maschinenbau-
crisitem.author.parentorgStudiendekanat Maschinenbau-
crisitem.author.parentorgStudiendekanat Maschinenbau-
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