Fig. 2: Stacking orders of all-atom graphene and CG graphene. | npj Computational Materials

Fig. 2: Stacking orders of all-atom graphene and CG graphene.

From: Coarse-grained machine learning potential for mesoscale multilayered graphene

Fig. 2

a Double-layered all-atom graphene, with the upper sheet moving in the armchair direction. b The all-atom stacks and the mapped CG stacks. The blue and red hexagons denote the upper and lower sheets of graphene, respectively. The upper sheet of all-atom graphene moves in the armchair direction a bond length each time, and the upper sheet of mapped CG graphene moves the same distance as all-atom graphene. c The other stacks of all-atom graphene and mapped stacks of CG graphene after moving the upper sheet along the zigzag direction a certain distance.

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