2D SiP Nanosheets as Efficient and Multi-Time Reversible Nanosensor for Nitrogen-Containing Gases
Trilokchand L. Kumavat,
Radha N Somaiya,
Deobrat Singh
et al.
Abstract:Herein, we present the structural, electronic, and sensing
properties
of two-dimensional (2D) SiP nanosheets toward nitrogen-containing
gases (NCG) like NH3, NO, and NO2 using density
functional theory (DFT) calculations. All of the gas molecules are
found to be physisorbed on the surface of the SiP nanosheet, as confirmed
by the small values of adsorption energy. The exposure of NO and NO2 molecules induces a total magnetic moment of 1 μB on the nonmagnetic SiP nanosheet, thus making it suitable
as a magnetic… Show more
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