Covalent organic functionalization of graphene nanosheets and reduced graphene oxide<i>via</i>1,3-dipolar cycloaddition of azomethine ylide
Luca Basta, Aldo Moscardini, Filippo Fabbri, Luca Bellucci, Valentina Tozzini, S. Rubini, Andrea Griesi, Mauro Gemmi, Stefan Heun, Stefano Veronesi
Abstract
molecular dynamics simulation. Moreover, X-ray photoemission spectroscopy of functionalized graphene allows the quantitative elemental analysis and the estimation of the surface coverage, showing a higher degree of functionalization for reduced graphene oxide. This more reactive behavior originates from the localization of partial charges on its surface due to the presence of oxygen defects, as shown by the simulation of the electrostatic features. Functionalization of graphene using 1,3-dipolar cycloaddition is shown to be a significant step towards the controlled synthesis of graphene-based complex structures and devices at the nanoscale.