Abstract
Through density functional theory, the sensitivity of the Pt-doped and the pristine BC3 nanosheets to ibuprofen (IBP) was scrutinized. The IBP drug does not impact the electronic properties evaluated for the pristine BC3. However, its sensitivity and reactivity are increased to the IBP drug to a great extent after doping it by Pt. Unlike the pristine BC3, the adsorption of the IBP drug decreases the HOMO–LUMO gap associated with the Pt-doped BC3 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 BC3 sheet, which in turn modifies the electron emission current from its sheet. This verifies that the Pt-doped BC3 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-BC3 nanosheet is short, i.e., 5.65 ms, which is another advantage of this sheet.Graphic abstract
Highlights
Ibuprofen (IBP) is one of the commonly used nonsteroidal drugs that is prescribed as a painkiller and an antipyretic agent, which is used to treat inflammation [1]
Unlike the pristine BC3, the adsorption of the IBP drug decreases the HOMO-LUMO gap associated with the Pt-doped BC3 sheet from 1.29 to 1.04 eV, which improves the electrical conductivity
We investigated the interaction behavior and the electronic response of the Pt-doped and pristine BC3 nanosheets to the IBP drug via employing density functional theory (DFT)
Summary
Ibuprofen (IBP) is one of the commonly used nonsteroidal drugs that is prescribed as a painkiller and an antipyretic agent, which is used to treat inflammation [1]. Compared to conventional drug detection methods, the side effects of nanomaterials have been drastically reduced since their superior properties have improved the efficiency and bioactivity of these materials [14]. They provide long-term blood circulation, as well as maintaining the biological activity of a drug [14]. Graphene and associated derivatives in their pristine form, and two-component graphene-like materials have been used successfully in medical applications as two-dimensional (2D) materials [15] These materials are mainly provided from two major B/C components in different ratios [16,17,18] such as the boron carbide nanotube shaped BCn structure having boron to carbon with atomic ratio of 1:3 that has chemical stability [17]. We investigated the interaction behavior and the electronic response of the Pt-doped and pristine BC3 nanosheets to the IBP drug via employing DFT
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