'Unsticking' and exposing the surface area of graphene bilayers via randomly distributed nanoparticles

K Kwan and SW Cranford, CHEMICAL PHYSICS LETTERS, 609, 65-69 (2014).

DOI: 10.1016/j.cplett.2014.06.032

The exemplary properties of graphene and the potential inclusion of nanoparticles have suggested applications in energy storage, catalysts and sensing. A critical feature of the performance of these nanocomposites is the distribution of nanoparticles and the exposed area of the graphene. Here we report a computational analysis exploring the effect of the dispersion of nanoparticles between layers of graphene, characterizing both solvent accessible surface area (SASA) and inter- graphene adhesion energy (Delta E-g). We find a maximum number of nanoparticles before the accessible graphene surface area decreases, and a limit where the system separates as the graphene layers no longer 'stick'. (C) 2014 Elsevier B.V. All rights reserved.

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