Electronic properties of nitrophenyl functionalized graphene and boron nanotubes
We have studied the electronic characteristics of covalently functionalized graphene by nitrophenol groups using first-principles density-functional theory calculations. The nitrophenyl functionalization leads to a band gap opening in graphene and transition from a semi-metallic to semiconducting st...
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| Format: | Others |
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DigitalCommons@Robert W. Woodruff Library, Atlanta University Center
2015
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| Online Access: | http://digitalcommons.auctr.edu/dissertations/3105 http://digitalcommons.auctr.edu/cgi/viewcontent.cgi?article=4081&context=dissertations |