Quantum-mechanical treatment of 1H+ / 2H+/ 3H+ ion dynamics in carbon nanotubes

An investigation of quantum dynamical properties was conducted for H / H / H ions as they traverse through a Carbon nanotube (CNT). The investigation is focused on a FORTRAN based program simulating a hydrogen ion passing through a CNT. Our work included testing convergence of the simulations, understanding dynamical behavior of hydrogen isotopes, and investigating the applied H + CNT potential energy curve