Crease-induced targeted cutting and folding of graphene origami

Graphene origami (G-ori) can possess unique mechanical properties and achieve some distinctive functionalization by engineering their configurations. However, it remains a tremendous challenge to modulate its formation and properties at the micro- and nano-scales. Herein, we systemically present the formation of G-ori activated by creased marks via molecular dynamics (MD) simulations. The pre-existing creased mark in graphene is created in a controlled way by transforming sp2 to sp3 bonds at the crease. Our results show that the presence of interlayer sp3 bonds at the crease can direct crack growth and hence pave a new way to tailor graphene sheets into specified pieces. The crease also guides the folding process of graphene into various geometric configurations. Sophisticated G-ori can be constructed by designing rational crease distribution on the graphene surface. Checking against the folding process of paper origami shows that the crease-induced targeted folding can be achieved at both nano- and macro-scales in exactly the same way. Our findings provide a simple and feasible method to construct graphene-based nano-devices by designing rational morphological configurations of G-ori.