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The results of this study empower us to predict that fullerene prefers to move on boron-nitride sections on a hybrid substrate composed of graphene and boron-nitride. This property can be utilized to design pathways or regions on a surface to steer or trap the C60 or other molecular machines, which is a step toward directional transportation at the molecular scale.The modeling of coupled electron-ion dynamics including a quantum description of the nuclear degrees of freedom has remained a costly and technically difficult practice. The
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