Driving forces of conformational changes in single-layer graphene oxide

Whitby, Raymond L.D., Gun'ko, Vladimir M., Korobeinyk, Alina, Busquets, Rosa, Cundy, Andrew B., Laszlo, Krisztina, Skubiszewska-Zieba, Jadwiga, Leboda, Roman, Toth, Ildiko Y., Kovacs, Krisztina and Mikhalovsky, Sergey V. (2012) Driving forces of conformational changes in single-layer graphene oxide. ACS Nano, 6(5), pp. 3967-3973. ISSN (print) 1936-0851

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The extensive oxygen-group functionality of single-layer graphene oxide proffers useful anchor sites for chemical functionalization in the controlled formation of graphene architecture and composites. However, the physicochemical environment of graphene oxide and its single-atom thickness facilitate its ability to undergo conformational changes due to responses to its environment, whether pH, salinity, or temperature. Here, we report experimental and molecular simulations confirming the conformational changes of single-layer graphene oxide sheets from the wet or dry state. MD, PM6, and ab initio simulations of dry SLG and dry and wetted SLGO and electron microscopy imaging show marked differences in the properties of the materials that can explain variations in previously observed results for the pH dependent behavior of SLGO and electrical conductivity of chemically modified graphene-polymer composites. Understanding the physicochemical responses of graphene and graphene oxide architecture and performing selected chemistry will ultimately facilitate greater tunability of their performance.

Item Type: Article
Additional Information: This work was supported by the EC Seventh Framework Programme (FP7/2007-2013), Marie Curie International Research Staff Exchange Scheme (COMPOSITUM, Grant No. 230790), Marie-Curie Industry-Academia Partnerships and Pathways Programme (PIAP-GA-2009-251429 UNCOS, PIAP-GA-2008-230676 CARBOSORB).
Research Area: Chemistry
Faculty, School or Research Centre: Faculty of Science, Engineering and Computing (until 2017) > School of Pharmacy and Chemistry
Related URLs:
Depositing User: Rosa Busquets
Date Deposited: 30 Apr 2014 09:22
Last Modified: 01 May 2014 12:59
DOI: https://doi.org/10.1021/nn3002278
URI: http://eprints.kingston.ac.uk/id/eprint/28171

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