Interdigitating organic bilayers direct the short interlayer spacing in hybrid organic–inorganic layered vanadium oxide nanostructures

dc.contributor.authorGannon, G.
dc.contributor.authorO'Dwyer, Colm
dc.contributor.authorLarsson, J. Andreas
dc.contributor.authorThompson, Damien
dc.contributor.funderScience Foundation Irelanden
dc.date.accessioned2016-06-29T14:31:32Z
dc.date.available2016-06-29T14:31:32Z
dc.date.issued2011-10-31
dc.date.updated2012-11-29T17:30:26Z
dc.description.abstractLayered metal oxides provide a single-step route to sheathed superlattices of atomic layers of a variety of inorganic materials, where the interlayer spacing and overall layered structure forms the most critical feature in the nanomaterials’ growth and application in electronics, health, and energy storage. We use a combination of computer simulations and experiments to describe the atomic-scale structure, dynamics and energetics of alkanethiol-intercalated layered vanadium oxide-based nanostructures. Molecular dynamics (MD) simulations identify the unusual substrate-constrained packing of the alkanethiol surfactant chains along each V2O5 (010) face that combines with extensive interdigitation between chains on opposing faces to maximize three-dimensional packing in the interlayer regions. The findings are supported by high resolution electron microscopy analyses of synthesized alkanethiol-intercalated vanadium oxide nanostructures, and the preference for this new interdigitated model is clarified using a large set of MD simulations. This dependency stresses the importance of organic–inorganic interactions in layered material systems, the control of which is central to technological applications of flexible hybrid nanomaterials.en
dc.description.sponsorshipScience Foundation Ireland (SFI under the Tyndall National Access Programme); Irish Government (INSPIRE program, Irish National Development Plan 2007-2013); European Commission (Seventh Framework Programme (FP7/2007-2013) under grant agreement no 213382 (FUNMOL)).en
dc.description.statusPeer revieweden
dc.description.versionAccepted Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.citationGannon, G., O'Dwyer, C., Larsson, J. A. and Thompson, D. (2011) 'Interdigitating organic bilayers direct the short inter layer spacing in hybrid organic-inorganic layered vanadium oxide nanostructures'. Journal of Physical Chemistry B, 115(49), pp. 14518–14525. http://dx.doi.org/10.1021/jp207709cen
dc.identifier.doi10.1021/jp207709c
dc.identifier.endpage14525en
dc.identifier.issn1520-6106
dc.identifier.issued49en
dc.identifier.journaltitleJournal of Physical Chemistry Ben
dc.identifier.startpage14518en
dc.identifier.urihttps://hdl.handle.net/10468/2812
dc.identifier.volume115en
dc.language.isoenen
dc.publisherAmerican Chemical Societyen
dc.rights© 2011 American Chemical Society. This document is the Accepted Manuscript version of a Published Work that appeared in final form in The Journal of Physical Chemistry B, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/jp207709cen
dc.subjectMolecular dynamicsen
dc.subjectHigh resolution electron microscopyen
dc.subjectHybrid materialsen
dc.subjectNanostructured materialsen
dc.subjectNanostructuresen
dc.subjectOxidesen
dc.subjectSurface active agentsen
dc.subjectVanadiumen
dc.subjectVanadium compoundsen
dc.titleInterdigitating organic bilayers direct the short interlayer spacing in hybrid organic–inorganic layered vanadium oxide nanostructuresen
dc.typeArticle (peer-reviewed)en
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