Three-dimensional solvation structure of ethanol on carbonate minerals

dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorSoengen, Hagenen_US
dc.contributor.authorJaques, Ygor Moraisen_US
dc.contributor.authorSpijker, Peteren_US
dc.contributor.authorMarutschke, Christophen_US
dc.contributor.authorKlassen, Stefanieen_US
dc.contributor.authorHermes, Ilkaen_US
dc.contributor.authorBechstein, Ralfen_US
dc.contributor.authorZivanovic, Lidijaen_US
dc.contributor.authorTracey, Johnen_US
dc.contributor.authorFoster, Adam S.en_US
dc.contributor.authorKuehnle, Angelikaen_US
dc.contributor.departmentDepartment of Applied Physicsen
dc.contributor.groupauthorSurfaces and Interfaces at the Nanoscaleen
dc.contributor.organizationBielefeld Universityen_US
dc.contributor.organizationJohannes Gutenberg University Mainzen_US
dc.date.accessioned2020-08-06T12:13:45Z
dc.date.available2020-08-06T12:13:45Z
dc.date.issued2020-06-10en_US
dc.description.abstractCalcite and magnesite are important mineral constituents of the earth's crust. In aqueous environments, these carbonates typically expose their most stable cleavage plane, the (10.4) surface. It is known that these surfaces interact with a large variety of organic molecules, which can result in surface restructuring. This process is decisive for the formation of biominerals. With the development of 3D atomic force microscopy (AFM) it is now possible to image solid-liquid interfaces with unprecedented molecular resolution. However, the majority of 3D AFM studies have been focused on the arrangement of water at carbonate surfaces. Here, we present an analysis of the assembly of ethanol - an organic molecule with a single hydroxy group - at the calcite and magnesite (10.4) surfaces by using high-resolution 3D AFM and molecular dynamics (MD) simulations. Within a single AFM data set we are able to resolve both the first laterally ordered solvation layer of ethanol on the calcite surface as well as the following solvation layers that show no lateral order. Our experimental results are in excellent agreement with MD simulations. The qualitative difference in the lateral order can be understood by the differing chemical environment: While the first layer adopts specific binding positions on the ionic carbonate surface, the second layer resides on top of the organic ethyl layer. A comparison of calcite and magnesite reveals a qualitatively similar ethanol arrangement on both carbonates, indicating the general nature of this finding.en
dc.description.versionPeer revieweden
dc.format.extent8
dc.format.extent891-898
dc.format.mimetypeapplication/pdfen_US
dc.identifier.citationSoengen, H, Jaques, Y M, Spijker, P, Marutschke, C, Klassen, S, Hermes, I, Bechstein, R, Zivanovic, L, Tracey, J, Foster, A S & Kuehnle, A 2020, ' Three-dimensional solvation structure of ethanol on carbonate minerals ', Beilstein Journal of Nanotechnology, vol. 11, 74, pp. 891-898 . https://doi.org/10.3762/bjnano.11.74en
dc.identifier.doi10.3762/bjnano.11.74en_US
dc.identifier.issn2190-4286
dc.identifier.otherPURE UUID: 534b726a-40d9-49e3-b976-43c45ffe13e7en_US
dc.identifier.otherPURE ITEMURL: https://research.aalto.fi/en/publications/534b726a-40d9-49e3-b976-43c45ffe13e7en_US
dc.identifier.otherPURE FILEURL: https://research.aalto.fi/files/44116083/S_ngen_Three_dimensional.2190_4286_11_74.pdfen_US
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/45517
dc.identifier.urnURN:NBN:fi:aalto-202008064476
dc.language.isoenen
dc.publisherBeilstein-Institut Zur Forderung der Chemischen Wissenschaften
dc.relation.ispartofseriesBeilstein Journal of Nanotechnologyen
dc.relation.ispartofseriesVolume 11en
dc.rightsopenAccessen
dc.subject.keyword3D AFMen_US
dc.subject.keywordcalciteen_US
dc.subject.keywordethanolen_US
dc.subject.keywordmagnesiteen_US
dc.subject.keywordMD simulationen_US
dc.subject.keywordsolvation structureen_US
dc.subject.keywordGENERAL FORCE-FIELDen_US
dc.subject.keywordCONJUGATE GRADIENTSen_US
dc.subject.keywordCALCITEen_US
dc.subject.keywordDYNAMICSen_US
dc.subject.keywordWATERen_US
dc.subject.keywordADSORPTIONen_US
dc.subject.keywordHYDRATIONen_US
dc.subject.keywordSURFACEen_US
dc.titleThree-dimensional solvation structure of ethanol on carbonate mineralsen
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi
dc.type.versionpublishedVersion
Files