Quantum - mechanical treatment of H / H / H ion dynamics in carbon nanotubesQuantum - mechanical treatment of H / H / H ion dynamics in carbon nanotubes
Journal Title: International Journal of Scientific Research and Management - Year 2016, Vol 4, Issue 10
Abstract
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.
Authors and Affiliations
Anthony B. Kunkel,
Keywords
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