Electronic properties of group-IV nanosheets functionalized with hydrogen and fluorine
- School of Fundamental Studies, Shanghai University of Engineering Science, Shanghai 201620, China.
- School of Materials Engineering, Shanghai University of Engineering Science, Shanghai 201620, China
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First-principles calculations based on density-functional theory reveal some unusual electronic properties of group-IV nanosheets functionalized with hydrogen and fluorine. According to difference in electronegativity between H and F atom, fully hydrogenation, full fluorination and codecorated with H and F are all break the symmetry of Dirac point and could tune the size of band gap. Fully fluorination generates the smallest band gap, while fully hydrogenation gain the biggest band gap. The diverse electronic properties of decorated group-IV nanosheets have the potential for wider applications of 2D-based materials and devices.
[WenBiao Kang and Jianbao Wu (2015); Electronic properties of group-IV nanosheets functionalized with hydrogen and fluorine Int. J. of Adv. Res. 3 (Dec). 1422-1427] (ISSN 2320-5407). www.journalijar.com
