Figure 6: DFT-simulated structures and their electronic properties. | Nature Communications

Figure 6: DFT-simulated structures and their electronic properties.

From: Giant enhancement in vertical conductivity of stacked CVD graphene sheets by self-assembled molecular layers

Figure 6

(a) Typical electrostatic potential plot and tunnelling barrier height ΔV as a function of separation distance between two graphene layers (d). (b) d-dependent band gap. (c) Left, optimized G/PBASE/G structure, where and ; right, its corresponding electrostatic potential. (d) Band structure of G/PBASE/G at κ-point. (e) Left, optimized G/1-pyrenebutanol/G device. The and are about 3.6 and 2.5 Å; right, its corresponding electrostatic potential. (f) Band structure of G/1-pyrenebutanol/G at κ-point.

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