Evaluation of the sensor performance of tetragonal graphene decorated with Pt for anticancer drug

The current study presented a detailed analysis and comparison of the adhesion characteristics and sensing capabilities of both pure T-graphene (PTGr) and Pt-decorated (Pt@TGr), utilizing DFT for analyzing the interactions with 5-fluorouracil (5FU). Recent findings have highlighted the metallic nature of PTGr. Our results indicated that the decorating PTGr with Pt significantly altered the electronic attributes of the PTGr. The DFT estimations revealed a reduction in the bandgap of the PTGr upon the incorporation of the Pt atoms. Furthermore, 5FU had a physical adhesion onto the PTGr with a low adhesion energy of roughly -0.42 eV. In contrast, the adhesion energy for 5FU on Pt@TGr was enhanced to about -3.59 eV in comparison with PTGr. A sensor based on PTGr or Pt@TGr is developed to assess the sensitivity towards the 5FU molecules in relation to adhesion energy. The findings demonstrated that the sensitivity of PTGr towards 5FU was below 15 %, whereas Pt@TGr exhibited a significantly higher sensitivity of up to 78 %. These results suggested that Pt@TGr holds considerable potential for applications in various areas, including drug delivery and detecting 5FU.