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arXiv · 1512.02987

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

Anthony B. Kunkel·Daniel J. Finazzo·Renat A. Sultanov·Dennis Guster
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Abstract

An investigation of quantum dynamical properties was conducted for $^{1}$H$^{+}$ / $^{2}$H$^{+}$ / $^{3}$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.

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Anthony B. Kunkel, Daniel J. Finazzo, Renat A. Sultanov, Dennis Guster. 2015-12-09. Quantum-mechanical treatment of $^{1}$H$^{+}$ / $^{2}$H$^{+}$ / $^{3}$H$^{+}$ ion dynamics in carbon nanotubes. https://arxiv.org/abs/1512.02987

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