Schematic workflow of v2DNMs development. The three-dimensional (3D) structures of graphene hexagonal lattice (A), hydroxyl group (B), epoxy group (C), and carboxyl group (D) are visualized by CPK drawing method in VMD. The v2DNMs generated in the workflow (E-G) are also shown by CPK drawing method in VMD. The construction of irregular graphene with 10 nm lateral size and five edges (F) is based on a 12×12 nm2 graphene sheet (E). Then, a graphene oxide with C:O ratio of 64:35 (G) is constructed based on the generated irregular graphene. The C, O, and H atoms are represented in black, red, and blue.