Graphene with Patterned Fluorination: Morphology Modulation and Implications

Abstract

Recent years have witnessed a large volume of works on the modification of graphene; however, an understanding of the associated morphology or mechanical properties changes is still lacking, which is vital for its engineering implementation. By taking the C4F fluorination as an example, we find that the morphology of both graphene sheet (GS) and graphene nanoribbon (GNR) can be effectively tailored by fluorination patterning via molecular dynamics simulations. The fluorine atom produces out-of-plane forces which trigger several intriguing morphology changes to monolayer graphene, including zigzag, folded, ruffle, nanoscroll, and chain structures. Notably, for multilayer GNR, the delamination and climbing phenomena of the surface layer are observed. Further studies show that the fluorination pattern can also be utilized to modulate the mechanical properties of graphene, e.g., about 40% increase of the effective yield strain is observed for the examined GNR with fluorination patterns. This study not only de...