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Detection of hydrogen using graphene

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dc.contributor Middle Tennessee State University. Physics and Astronomy Department. en_US
dc.contributor.author Ehemann, Robert C en_US
dc.contributor.author Krstić, Predrag S en_US
dc.contributor.author Dadras, Jonny en_US
dc.contributor.author Kent, Paul RC en_US
dc.contributor.author Jakowski, Jacek en_US
dc.date.accessioned 2014-06-24T15:41:58Z
dc.date.available 2014-06-24T15:41:58Z
dc.date.issued 2012-03-23 en_US
dc.identifier.citation Nanoscale Research Letters. 2012 Mar 23;7(1):198 en_US
dc.identifier.uri http://jewlscholar.mtsu.edu/handle/mtsu/4240
dc.description.abstract Irradiation dynamics of a single graphene sheet bombarded by hydrogen atoms is studied in the incident energy range of 0.1 to 200 eV. Results for reflection, transmission, and adsorption probabilities, as well as effects of a single adsorbed atom to the electronic properties of graphene, are obtained by the quantum-classical Monte Carlo molecular dynamics within a self-consistent-charge-density functional tight binding formalism We compare these results with those, distinctly different, obtained by the classical molecular dynamics. en_US
dc.rights This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited. en_US
dc.subject Graphene en_US
dc.subject DFTB en_US
dc.subject Hydrogen detection en_US
dc.subject HOMO-LUMO gap en_US
dc.subject Molecular dynamics en_US
dc.title Detection of hydrogen using graphene en_US
dc.type Research Article en_US


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