Accommodating curvature in a highly ordered functionalized metal oxide nanofiber: synthesis, characterization and multi-scale modeling of layered nanosheets

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dc.contributor.author O'Dwyer, Colm
dc.contributor.author Gannon, G.
dc.contributor.author McNulty, David
dc.contributor.author Buckley, D. Noel
dc.contributor.author Thompson, Damien
dc.date.accessioned 2013-01-23T22:03:17Z
dc.date.available 2013-10-10T04:00:04Z
dc.date.copyright 2012
dc.date.issued 2012-10
dc.identifier.citation O'Dwyer, C., Gannon, G., McNulty, D., Buckley, D. N., Thompson, D. (2012) 'Accommodating curvature in a highly ordered functionalized metal oxide nanofiber: synthesis, characterization and multi-scale modeling of layered nanosheets'. Chemistry of Materials, 24, 3981−3992. en
dc.identifier.volume 24 en
dc.identifier.startpage 3981 en
dc.identifier.endpage 3992 en
dc.identifier.uri http://hdl.handle.net/10468/922
dc.identifier.doi 10.1021/cm302648h
dc.description.abstract A key element in the rational design of hybrid organic-inorganic nanostructures, is control of surfactant packing and adsorption onto the inorganic phase in crystal growth and assembly. In layered single crystal nanofibers and bilayered 2D nanosheets of vanadium oxide, we show how the chemisorption of preferred densities of surfactant molecules can direct formation of ordered, curved layers. The atom-scale features of the structures are described using molecular dynamics simulations that quantify surfactant packing effects and confirm the preference for a density of 5 dodecanethiol molecules per 8 vanadium attachment sites in the synthesised structures. This assembly maintains a remarkably well ordered interlayer spacing, even when curved. The assemblies of interdigitated organic bilayers on V2O5 are shown to be sufficiently flexible to tolerate curvature while maintaining a constant interlayer distance without rupture, delamination or cleavage. The accommodation of curvature and invariant structural integrity points to a beneficial role for oxide-directed organic film packing effects in layered architectures such as stacked nanofibers and hybrid 2D nanosheet systems. en
dc.description.sponsorship Science Foundation Ireland (07/SK/B1232a); Science Foundation Ireland (11/SIRG/B2111); SFI/Higher Education Authority (Irish Centre for High-End Computing (ICHEC)); Irish Government (INSPIRE programme, PRTLI Cycle 4, National Development Plan 2007–2013) en
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher American Chemical Society Publications en
dc.rights Copyright © 2012 American Chemical Society. This document is the Accepted Manuscript version of a Published Work that appeared in final form in Chemistry of Materials, 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/full/10.1021/cm302648h en
dc.subject Hybrid materials en
dc.subject Self-assembly en
dc.subject Curved nanostructures en
dc.subject Transmission electron microscopy en
dc.subject Alkanethiols en
dc.subject Molecular dynamics en
dc.subject Vanadium oxide en
dc.subject Nanosheets en
dc.subject Synthesis en
dc.subject.lcsh Nanostructures--chemistry en
dc.title Accommodating curvature in a highly ordered functionalized metal oxide nanofiber: synthesis, characterization and multi-scale modeling of layered nanosheets en
dc.type Article (peer-reviewed) en
dc.internal.authorurl http://research.ucc.ie/profiles/D004/codwyer en
dc.internal.authorcontactother Colm O'Dwyer, Chemistry, University College Cork, Cork, Ireland. +353-21-490-3000 Email: c.odwyer@ucc.ie en
dc.internal.availability Full text available en
dc.check.info Access to the full text of this publication is restricted until 12 months after publication by request of the publisher. en
dc.date.updated 2012-11-30T16:12:06Z
dc.description.version Accepted Version en
dc.internal.rssid 182546779
dc.contributor.funder Science Foundation Ireland en
dc.contributor.funder Higher Education Authority en
dc.contributor.funder Irish Government en
dc.description.status Peer reviewed en
dc.identifier.journaltitle Chemistry of Materials en
dc.internal.copyrightchecked No en
dc.internal.licenseacceptance Yes en
dc.internal.placepublication Washington, D.C. en
dc.internal.IRISemailaddress c.odwyer@ucc.ie en


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