Tunable doping and band gap of graphene on functionalized hexagonal boron nitride with hydrogen and fluorine

First-principles calculations have been used to investigate the structural and electronic properties of graphene supported on functionalized hexagonal boron nitride (h-BN) with hydrogen and fluorine atoms. Our results show that the hydrogenation and fluorination of the h-BN substrate modify the elec...

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Veröffentlicht in:Physical chemistry chemical physics : PCCP 2013-04, Vol.15 (14), p.5067-5077
Hauptverfasser: Tang, Shaobin, Yu, Jianping, Liu, Liangxian
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Sprache:eng
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