60 | December 2021 www.facs.website Figure 3(a) Model system used in the simulation viewed from three different directions. Only 3 unit cells are shown for the clarity. (b) Reaction path network for the structural transition of the interfacial amorphous carbon at the interface of the CNTs. The map on the left is colored by the structural energies, while that on the right is colored by the bonding type. (c) The structural transition path from the initial structure 1 to the sp2-bond-rich structure 3 through the transient structure 2. The sp2-type-bonds are colored in cyan. (d) The number of sp2-bonds with respect to the annealing time. The initial number of sp2-bonds is shown with black dashed line. (e) Those of in vacuum simulation.
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