Pt doped boron carbide monolayer nanosheet as a work function-type sensor for ibuprofen drug; quantum chemical study

Through density functional theory (DFT), the sensitivity of the Pt-doped and the pristine BC 3 nanosheets to ibuprofen (IBP) was scrutinized. The IBP drug does not impact the electronic properties evaluated for the pristine BC 3 . However, its sensitivity and reactivity are increased to the IBP drug to a great extent after doping it by Pt. Unlike the pristine BC 3 , the adsorption of the IBP drug decreases the HOMO-LUMO gap associated with the Pt-doped BC 3 sheet from 1.29 to 1.04 eV, which improves the electrical conductivity. In addition, the adsorption of the IBP drug will mainly impact the work function of the Pt-doped BC 3 sheet, which in turn modifies the electron emission current from its sheet. This verifies that the Pt-doped BC 3 sheet can be utilized as a work-function-type sensor to detect the IBP drug. For desorption of the IBP drug, the recovery time of the Pt-BC 3 nanosheet is short, i.e., 5.65 ms , which is another advantage of this sheet.