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arXiv · 1302.6878

Highly Fluorinated Graphene

Chad E. Junkermeier·Stefan C. Badescu·Thomas L. Reinecke
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Abstract

We give the results of density functional calculations for graphene with a widely varying fluorine adsorptions. We give a systematic analysis of the adsorption energies, lattice constants, bulk modulus, bandgap openings, and magnetic properties. We find that a number of different adsorption geometries and a range of physical properties can occur for each adsorbate coverage. The systems are found to range from metallic to semiconducting with widely vary band gaps, and a number of interesting magnetic phases are found. We expect that many of these structures may occur in real materials systems. Further that a listing of the properties found here may help in determining what fluorinated graphenes are produced experimentally.

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Chad E. Junkermeier, Stefan C. Badescu, Thomas L. Reinecke. 2013-02-27. Highly Fluorinated Graphene. https://arxiv.org/abs/1302.6878

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