title: Structural and electronic properties of fluorographene.
abstract: 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 equation approach. The results are in good conformity with the experimentally observed optical gap and reveal predominant charge-transfer excitations arising from strong electron-hole interactions. The appearance of bounded excitons in the ultraviolet region can result in an excitonic Bose-Einstein condensate in fluorographene.
authors.affiliation: Department of Chemistry, Clark Atlanta University, 223 James P. Brawley Dr. SW., Atlanta, GA 30314, USA.
authors.forename: Duminda K
authors.initials: DK
authors.lastname: Samarakoon
authors.forename: Zhifan
authors.initials: Z
authors.lastname: Chen
authors.forename: Chantel
authors.initials: C
authors.lastname: Nicolas
authors.forename: Xiao-Qian
authors.initials: XQ
authors.lastname: Wang
mesh_terms: D004583:Electrons; D006108:Graphite / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D011789:Quantum Theory
chemical_list: D006108:Graphite