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.