Tuning optical and electronic properties of graphene oxide by surface adsorption of molecular halogens (X2 = I2, Br2, Cl2, and F2) for light harvesting

Computational assessment of the use of graphene‐based nanosheets as PtII chemotherapeutics delivery systems

“…36 As the interaction between the drugs and the carriers are dominated by dispersion forces, the dispersion-corrected hybrid density functional ωB97X-D, 37 which was successfully used in the past, was selected to carry out calculations. [38][39][40][41][42] For carbon atoms of G, HG, and NHG surfaces 6-31G* basis set was used, while for the light atoms of the drugs the 6-31G** basis set was employed. The platinum center was described by the LANL2DZ pseudo potential along with the corresponding valence basis set.…”

Preparation and optical properties of Br-doped GQDs

“…2 Graphene oxide (GO) reduction is a common method used for scaling-up production of high-quality graphene-based materials for potential commercial applications. 3,4 GO has relatively poor electrical property due to the presence of many oxygen-containing functional groups, hence limiting its application in photodetectors. During GO preparation process, some of the carbon atoms in the graphite sheets are oxidized and contained functional groups, such as hydroxy, epoxy, carbonyl and carboxyl groups, 5 which can lead to a reduction in the electrical conductivity of GO and widening of its bandgap.…”