The extraordinary properties of graphene nanosheets (GNS) and the high performance of polymer-based composites have stimulated extensive research in the realm of polymer nanocomposites. This work examines the mechanisms and approach for the production of GNS-polymer composites by first principle ab initio calculations. The results show that GNS functionalized with anionic/cationic moieties can initiate anionic/cationic polymerization reactions, leading to chemically bonded GNS-polymer composites via the established anionic/cationic polymerization schemes. These outcomes deliver a solid theoretical basis for fabricating strong polymer nanocomposites.
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| http://dx.doi.org/10.1021/acs.jpca.6b05333 | DOI Listing |
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