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Graphene and graphane functionalization using hydrogen and nitrogen electronic optical and vibrational signaturesMcNelles, Phillip 01 April 2011 (has links)
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. / UOIT
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