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Novel nanostructured materials possessing new architectural segments can be synthesized using various combinations of graphene and carbon nanotubes (CNT) that can result in the generation of enhanced physico-chemical properties within the hybrids. Comprehending the various physical processes involved in the creation of these new segments is crucial for designing an optimized nanomaterial for a specific purpose. In this paper we report induced folding in a graphene sheet resulting from the physical interactions between water-mediated graphene and a CNT. Owing to robust binding interactions between the CNT and a compatible graphene sheet, the latter forms a second domed layer around the former culminating in a structure equivalent to a double-walled CNT. The induced curvature change in graphene by CNT was found to have a strong dependence upon their relative physical dimensions. For example, CNT possessing extremely small diameters are unable to induce any significant curvature changes in longer graphene sheets. The potential-of-mean force (PMF) between our reference graphene and CNT in water suggests a favorable binding interaction of -14.5 kcal mol-1. The breakdown of the PMF into direct graphene-nanotube interactions and water-mediated interactions reveals a huge reduction in the strongly attractive binding interactions between graphene and CNT by the water molecules.

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