Three Possible Encapsulation Mechanics of TiO₂ Nanoparticles into Single-Walled Carbon Nanotubes

Table 1

Lennard-Jones constants used in this model.

Interaction	𝜖 (meV)	𝜎 (Å)	𝐴 (eV ×Å^6 )	𝐵 (eV ×Å^12 )
C-Ti	3.14	3.7588	35.38	9979.40
C-O	4.14	3.2531	19.61	23241.81
Graphene-Graphene	3.83	2.39	15.2	24100