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Interdigitating organic bilayers direct the short interlayer spacing in hybrid organic-inorganic layered vanadium oxide nanostructures
Theory Modelling and Design Centre, Tyndall National Institute, University College Cork.
Department of Physics and Energy, Materials and Surface Science Institute, University of Limerick.
Theory Modelling and Design Centre, Tyndall National Institute, University College Cork.
2011 (English)In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 115, no 49, p. 14518-14525Article in journal (Refereed) Published
Abstract [en]

Layered 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 V 2O 5 (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

Place, publisher, year, edition, pages
2011. Vol. 115, no 49, p. 14518-14525
Identifiers
URN: urn:nbn:se:ltu:diva-7510DOI: 10.1021/jp207709cLocal ID: 5e794663-885c-471f-b39a-129aa3b59e5fOAI: oai:DiVA.org:ltu-7510DiVA, id: diva2:980400
Note
Upprättat; 2011; 20130222 (andbra)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2017-11-24Bibliographically approved

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