Highly Fluorinated Graphene

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.

References in corpus (8)

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Cited by in corpus (2)

• Covalent Adsorption of functional groups on [N]-carbophenes
• Melting of Partially Fluorinated Graphene: From Detachment of Fluorine Atoms to Large Defects and Random Coils