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

Gaspari, FrancoChkrebtii, AnatoliMcNelles, Phillip2011-05-182022-03-292011-05-182022-03-292011-04-01https://hdl.handle.net/10155/159Hydrogen 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.enPartially hydrogenatedGrapheneBand gapGraphaneMicroelectronic applicationsElectronic signatureOptical signatureGraphene and graphane functionalization using hydrogen and nitrogen electronic optical and vibrational signaturesThesis