Quantum-mechanical treatment of $^{1}$H$^{+}$ / $^{2}$H$^{+}$ / $^{3}$H$^{+}$ ion dynamics in carbon nanotubes
| Autor: | Kunkel, Anthony B., Finazzo, Daniel J., Sultanov, Renat A., Guster, Dennis |
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| Rok vydání: | 2015 |
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| Druh dokumentu: | Working Paper |
| Popis: | 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. Comment: 18 pages, 9 figures |
| Databáze: | arXiv |
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