Unveiling the role of Pt doping on the sensor behavior of graphene-based ternary (Boron)x-(Nitrogen)y-(Carbon)z for (x=y=1, z=2) monolayer for detection of NO2 and SO2 gases.

Fabricating efficient sensors for detecting various gasses is one of the major challenges in environmental monitoring and safety. There has been extensive research in recent years into the applications of 2D nanomaterials as gas sensors thanks to their great surface-to-volume ratio as well as adjustable electronic characteristics. The current study, by employing DFT, aimed at examining the sensing capability of graphene-based ternary (Boron)x-(Nitrogen)y-(Carbon)z for (x = y = 1, z = 2) (BNC2) in detecting gasses, with a particular emphasis on the adhesion of H2, H2S, NO2, and SO2 onto both bare and platinum-doped BNC2 (Pt@BNC2). The findings indicated that the Pt atom exhibited a strong binding affinity to the BNC2, albeit with a slight protrusion from the plane. The Pt@ BNC2 demonstrated the most robust interaction with gasses, especially NO2 and SO2. The charge transport analysis revealed that the majority of gasses functioned as acceptors of charges, with NO2 and SO2 displaying considerable electron acquisition from the Pt@BNC2. Furthermore, recovery time analyses indicated that doping the Pt atom significantly improved the capability of Pt@BNC2 in sensing gasses in comparison to the bare BNC2, particularly in detecting NO2 and SO2. The current study highlighted the adaptability of Pt@BNC2 in both sensing and capturing gasses, being conducive to fabricating sophisticated sensing devices and preserving the environment.