2012/09/04 by Gui Yang, Yang, Gui, Yufeng Zhang +4
Chemistry · Engineering · Materials Science · Physics and Astronomy · #FOS: Physical sciences #Fullerene Chemistry and Applications #Graphene and Nanomaterials Applications #Graphene research and applications #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.1209.0555
5 figures
arxiv created 2012/09/04 · openalex publication_date 2012/09/04 · arxiv updated 2012/09/05 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
The electronic and optical properties of graphene monoxide, a new type of semiconductor materials, are first theoretically studied based on density functional theory. Electronic calculations show that the band gap is 0.952 eV which indicate that graphene monoxide is a direct band gap semiconductor. The density of states of graphene monoxide and the partial density of states for C and O are given to understand the electronic structure. In addition, we calculate the optical properties of graphene monoxide including the complex dielectric function, absorption coefficient, the complex refractive index, loss-function, reflectivity and conductivity. These results provide a physical basis for the potential applications in optoelectronic devices.