Structural and electronic properties of fluorographene.

  title={Structural and electronic properties of fluorographene.},
  author={Duminda K Samarakoon and Zhifan Chen and Chantel I Nicolas and Xiao-Qian Wang},
  volume={7 7},
The structural and electronic characteristics of fluorinated graphene are investigated based on first-principles density-functional calculations. A detailed analysis of the energy order for stoichiometric fluorographene membranes indicates that there exists prominent chair and stirrup conformations, which correlate with the experimentally observed in-plane lattice expansion contrary to a contraction in graphane. The optical response of fluorographene is investigated using the GW-Bethe-Salpeter… CONTINUE READING
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