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Using the van der Waals density functional theory, we studied the binding peculiarities of favipiravir (FP) and ebselen (EB) molecules on a monolayer of black phosphorene (BP). We systematically examined the interaction characteristics and thermodynamic properties in a vacuum and a continuum, solvent interface for active drug therapy. These results illustrate that the hybrid molecules are enabled functionalized two-dimensional (2D) complex systems with a vigorous thermostability. We demonstrate in this study that these molecules remain flat on the monolayer BP system and phosphorus atoms are intact. It is inferred that the hybrid FP+EB molecules show larger adsorption energy due to the van der Waals forces and planar electrostatic interactions. The changes in Gibbs free energy at different surface charge fluctuations and temperatures imply that the FP and EB are allowed to adsorb from the gas phase onto the 2D film at high temperatures. Thereby, the results unveiled beneficial inhibitor molecules on two dimensional BP nanocarriers, potentially introducing a modern strategy to enhance the development of advanced materials, biotechnology, and nanomedicine. [ABSTRACT FROM AUTHOR]

Using the van der Waals density functional theory, we studied the binding peculiarities of favipiravir (FP) and ebselen (EB) molecules on a monolayer of black phosphorene (BP). We systematically examined the interaction characteristics and thermodynamic properties in a vacuum and a continuum, solvent interface for active drug therapy. These results illustrate that the hybrid molecules are enabled functionalized two-dimensional (2D) complex systems with a vigorous thermostability. We demonstrate in this study that these molecules remain flat on the monolayer BP system and phosphorus atoms are intact. It is inferred that the hybrid FP+EB molecules show larger adsorption energy due to the van der Waals forces and planar electrostatic interactions. The changes in Gibbs free energy at different surface charge fluctuations and temperatures imply that the FP and EB are allowed to adsorb from the gas phase onto the 2D film at high temperatures. Thereby, the results unveiled beneficial inhibitor molecules on two dimensional BP nanocarriers, potentially introducing a modern strategy to enhance the development of advanced materials, biotechnology, and nanomedicine.

We demonstrate an erbium-doped fiber laser passively Q-switched by a black-phosphorus polyimide film. The multi-layer black-phosphorus (BP) nanosheets were prepared via a liquid exfoliation approach exploiting N-methylpyrrolidone as the dispersion liquid. By mixing the BP nanosheets with polyimide (PI), a piece of BP-PI film was obtained after evaporating the mixture in a petri dish. The BP-PI saturable absorber had a modulation depth of 0.47% and was inserted into an erbium-doped fiber laser to realize passive Q-switched operations. The repetition rate of the Q-switched laser increased from 5.73 kHz to 31.07 kHz when the laser pump was enhanced from 31.78 mW to 231.46 mW. Our results show that PI is an excellent host material to protect BP from oxidation, and the BP-PI film can act as a promising nonlinear optical device for laser applications. [ABSTRACT FROM AUTHOR]

A detailed experimental investigation of dopants modified black-phosphorus and methodology to deposit film on glass substrate have been conducted in order to improve the optical properties and wider utility. It was observed that Raman peaks were less intense for film, compared to separately grown black-P crystals. It was also observed that when synthesis duration was reduced to four hours, all Raman peaks became broader. A non-uniform material luminescence with dominance of green luminescence was observed when black-P crystals were irradiated with light of wavelength ~565–575 nm. The sulfur doped black-P illustrated fascinating rod-and-globule like deposits on the parent nano-coral black phosphorous substrate, whereas selenium doped black-P exhibits a localized concentration of Se in the near homogeneous phosphorous coverage. The boron and sulfur doping increased the band gap. In contrast, Se, In, and Ga doping resulted in a significant decrease in band gap energy. Frequency dependent dielectric functions of the anisotropic zig-zag and armchair edges of phosphorene suggest that doping of black –P causes a diminution in the first peak position for the zigzag electric field polarization demonstrating a gradual red shift. The red shift in the first peak position was perceived to be greatest for doping with boron exhibiting a band edge at 0.65 eV and least in the case of doping with sulfur, resulting in a band edge at 1.09 eV. [ABSTRACT FROM AUTHOR]

We demonstrate an erbium-doped fiber laser passively Q-switched by a black-phosphorus polyimide film. The multi-layer black-phosphorus (BP) nanosheets were prepared via a liquid exfoliation approach exploiting N -methylpyrrolidone as the dispersion liquid. By mixing the BP nanosheets with polyimide (PI), a piece of BP-PI film was obtained after evaporating the mixture in a petri dish. The BP-PI saturable absorber had a modulation depth of 0.47% and was inserted into an erbium-doped fiber laser to realize passive Q-switched operations. The repetition rate of the Q-switched laser increased from 5.73 kHz to 31.07 kHz when the laser pump was enhanced from 31.78 mW to 231.46 mW. Our results show that PI is an excellent host material to protect BP from oxidation, and the BP-PI film can act as a promising nonlinear optical device for laser applications.