Abstract
Particle in a box is a classic example of quantization through confinement. In the literature, many theoretical studies have been reported regarding the application of confinement models with hard and soft boundaries on a wide range of systems with different shapes and sizes. The n-electron delocalization on the surface of fullerene and sphere-like shape of fullerene offers a non-polar spherical confinement. Schlegel and co-workers have also studied the effect of confinement on chemical reactions by considering carbon nanotube (CNT) of different diameter using hybrid density functional theory. Systematic comparison of reaction energies in the gas phase and inside nanotube reveals that the energy barriers inside the tube are higher than the gas phase. The main reason for the high-energy barrier inside nanotube is due to the presence of nanotube confinement.
