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        Quantum confinement and effective masses dependence in black phosphorus quantum dots and phosphorene

        I. Benabdallah,A. Sibari,H. El Masaoudi,W. Azouzi,M. Benaissa 한국공업화학회 2022 Journal of Industrial and Engineering Chemistry Vol.108 No.-

        In the present study, quantum confinement effect in phosphorene and black phosphorus quantum dots isextensively studied from experimental and theoretical viewpoints. These quantum structures were preparedwith the help of Benzonitrile solvent using Liquid Phase Exfoliation and solvothermal-assistedLiquid Phase Exfoliation, respectively. On one hand, Fourier-transform infrared spectroscopy shows nosign of phosphorus oxidation in both phosphorene and black phosphorus quantum dots solutions. Furthermore, Raman spectroscopy showed a shift in B2gandA2gphonon modes for phosphorene and blackphosphorus quantum dots as compared to bulk black phosphorus. On the other hand, structural characterizationvia high-resolution transmission electron microscopy imaging and electron diffraction patternsshowed a high degree of crystallinity in both quantum structures with no sign of aggregations. Opticalproperties characterization showed the expected increase in the bandgap value for both quantum structures,which were supported by theoretical calculations using density functional theory and effectivemass approximation. Interestingly, we demonstrate that the quantum confinement observed in phosphoreneis weakened to the expected extent, relative to that in BPQDs, by the loss of two confinement dimensions. Appropriate models, describing the bandgap and effective mass dependence as a function of theconfinement regime, are presented.

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