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Published in:
2006 | OriginalPaper | Chapter
Study of the Passage of an H + Ion Along a Carbon Nanotube Using Quantum Wavepacket Dynamics
Authors : Dimitris Skouteris, Antonio Laganá
Published in: Computational Science and Its Applications - ICCSA 2006
Publisher: Springer Berlin Heidelberg
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The passage of an H
+
ion along a carbon nanotube is studied using a time-dependent wavepacket method. The initial state of the problem can be completely specified in terms of the mean energy of the ion along the nanotube, its radial energy (which is necessarily quantised given the wall boundary condition) and its angular momentum along an axis parallel to the nanotube. Its time-dependent flux across two boundaries on the two ends of the nanotube is monitored and examined for various initial conditions. Such calculations can serve to model more complicated systems, such as the migration of ions along cellular membranes.