期刊
JOURNAL OF MATERIALS CHEMISTRY C
卷 3, 期 14, 页码 3416-3421出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5tc00013k
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资金
- NSFC of China [21403115]
- Jiangsu Specially Appointed Professor Plan
- Priority Academic Program Development of Jiangsu Higher Education Institutions
In this work, density functional theory computations with van der Waals (vdW) corrections revealed the existence of rather strong C-H center dot center dot center dot F-C hydrogen bonding between hydrofluorinated graphene (HGF) monolayers, which have Janus-like geometrics. Interestingly, the individual HGF monolayer is semiconducting with a direct energy gap of 2.82 eV while the HGF bilayer is metallic in its most stable stacking pattern. Especially, applying an external electric field can effectively open a band gap for HGF bilayer, and correspondingly cause a metallic-semiconducting transition. These results open up opportunities in fabricating electronic and optoelectronic devices based on HGF nanosheets, and call for more usage of the weak interactions for band structure engineering.
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