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

نویسندگان

چکیده

Through density functional theory, the sensitivity of Pt-doped and pristine BC3 nanosheets to ibuprofen (IBP) was scrutinized. The IBP drug does not impact electronic properties evaluated for BC3. However, its reactivity are increased a great extent after doping it by Pt. Unlike BC3, adsorption decreases HOMO–LUMO gap associated with sheet from 1.29 1.04 eV, which improves electrical conductivity. In addition, will mainly work function sheet, in turn modifies electron emission current sheet. This verifies that can be utilized as work-function-type sensor detect drug. For desorption drug, recovery time Pt-BC3 nanosheet is short, i.e., 5.65 ms, another advantage this

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ژورنال

عنوان ژورنال: Monatshefte Fur Chemie

سال: 2021

ISSN: ['1434-4475', '0026-9247']

DOI: https://doi.org/10.1007/s00706-021-02817-4