Recent synthesis of fluorinated graphene introduced interesting stable
derivatives of graphene. In particular, fluorographene (CF), namely fully
fluorinated chair conformation, is found to display crucial features, such as
high mechanical strength, charged surfaces, local magnetic moments due to
vacancy defects and a wide band gap rapidly reducing with uniform strain. These
properties, as well as structural parameters and electronic densities of states
are found to scale with fluorine coverage. However, most of the experimental
data reported to date neither for CF, nor for other CnF structures complies
with the results obtained from first-principles calculations. In this study, we
attempt to clarify the sources of disagreements.Comment: Phys. Rev. B 83, 115432 (2011