Development of a promising sensor for the detection of 5FU anti-cancer drug with Pt-decorated Irida-graphene monolayer

Abstract

The estimations related to the density functional theory (DFT) were undertaken for the sake of examining the electronic sensitiveness of the pure Irida-graphene monolayer (PIGM) and Pt-decorated Irida-graphene monolayer (Pt@IGM) to the adhesion of 5-fluorouracil (5FU). Although the adhesion of 5FU molecules onto the monolayers were weak, the molecules were physically adhered on the surfaces of the monolayers with the adhesion energies of −0.449 eV. Decorating the Pt atom substantially changed the 5FU adhesion capacities and the electronic characteristics of the monolayer. Decorating the Pt atom changed both the sensitiveness and reactivity of the monolayer to 5FU. The Pt@IGM can be considered as a promising sensor with structural stability at normal temperature, the 2.87 s time of recovery at 300 K, the transport of 0.317 e charges and the adhesion energy of −1.09 eV. The current piece of research has the potential to open new avenues for designing and fabrication of sensing devices to detect biomolecules.