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- W4224072878 endingPage "119161" @default.
- W4224072878 startingPage "119161" @default.
- W4224072878 abstract "• The electronic, optical and some electrical and sensing behavior of material PHMB in different solvents was studied. • DFT/TD-DFT calculations were performed to support experimental results. • The PHMB material may be a suitable candidate for display technology, with excellent optoelectronic properties. In this study, the effects of dimethyl sulfoxide (DMSO), ethanol, methanol, and water solvents on the electronic, optical, and some electrical and sensing properties of the Poly-hexamethylene biguanide hydrochloride (PHMB) organic material were investigated in detail with experimental measurements. The absorbance and fluorescence spectra, optical bandgap, refractive index, reflectance, contrast, and electrical and optical conductivity of the PHMB material were experimentally examined in all studied solvents and interpreted in detail. Quantum chemical calculations such as absorbance spectrum, frontier molecular orbital (HOMO-LUMO), density of states (DOS or TDOS) and overlap population-based DOS (OPDOS or COOP), and non-linear optical (NLO) property calculations were carried out with the help of the density functional theory (DFT), and the results were compared to the experimental results. It was concluded that the investigation of electronic, optical, NLO, and sensing properties of PHMB will contribute to the understanding and application areas of new-generation optoelectronic devices." @default.
- W4224072878 created "2022-04-19" @default.
- W4224072878 creator A5031967835 @default.
- W4224072878 date "2022-07-01" @default.
- W4224072878 modified "2023-10-16" @default.
- W4224072878 title "New optoelectronic material based on biguanide for orange and yellow organic light emitting diode: A combined experimental and theoretical study" @default.
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- W4224072878 doi "https://doi.org/10.1016/j.molliq.2022.119161" @default.
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