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• W4384927896 abstract "The present study investigates the influence of layer thickness and stacking engineering on the electronic, structural, and optical properties of monolayer PtS 2 using the density functional theory calculations. The monolayer PtS 2 (m‐PtS 2 ) is found to possess an indirect bandgap, 1.73 eV, which reduces to 0.67 eV for bilayer PtS 2 (b‐PtS 2 ). Impact of stacking engineering on the electronic and optical properties is explored through six different stacking patterns and the AA 1 configuration is found to be most stable displaying the highest reflectance and refractive index values. Moreover, this PtS 2 bilayer structure demonstrates promising light absorption capability over a wide range (2–12 eV) with the position of absorption edge showing a redshift as the layers number increases. These computed electronic and optical properties of monolayer PtS 2 validate it as a prospective material for future optoelectronic devices." @default.
• W4384927896 created "2023-07-22" @default.
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• W4384927896 date "2023-07-27" @default.
• W4384927896 modified "2023-10-15" @default.
• W4384927896 title "Tuning of Electronic and Optical Properties of PtS₂ Monolayer Using Stacking Engineering" @default.
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• W4384927896 doi "https://doi.org/10.1002/pssb.202300132" @default.
• W4384927896 hasPublicationYear "2023" @default.
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