Graphene and graphane functionalization using hydrogen and nitrogen electronic optical and vibrational signatures

Date
2011-04-01
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Abstract
Hydrogen is added to Graphene in various compositions and configurations to modify the band structure to produce a suitable band gap for microelectronic applications. Optical and vibrational spectra are calculated as a means of characterization. Calculations performed using DFT and Quantum Espresso.
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Keywords
Partially hydrogenated, Graphene, Band gap, Graphane, Microelectronic applications, Electronic signature, Optical signature
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