Figure 9.

Lennard–Jones $U_{L-J}\left(r_{ij}\right)$ and Weeks–Chandler–Anderson $W\left(r_{ij}\right)$ potentials between the carbon atoms of the CNT and ODPA-P3 using the initial values of the parameters ε and σ of the van der Waals energy from the Gromos53a5 force field. The dashed line in the figure marks the zero value of the van der Waals energy.