Detection of hydrogen using graphene

dc.contributor Middle Tennessee State University. Physics and Astronomy Department. en_US Ehemann, Robert C en_US Krstić, Predrag S en_US Dadras, Jonny en_US Kent, Paul RC en_US Jakowski, Jacek en_US 2014-06-24T15:41:58Z 2014-06-24T15:41:58Z 2012-03-23 en_US
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.identifier.citation Nanoscale Research Letters. 2012 Mar 23;7(1):198 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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