Growth, crystal structure, Hirshfeld surface, optical, piezoelectric, dielectric and mechanical properties of bis(L-asparaginium hydrogensquarate) single crystal.

Molecular organic single crystals of bis(L-asparaginium hydrogensquarate) monohydrate [BASQ; (C8H10N2O7)2·H2O] have been grown by solution technique. Crystallographic information was investigated by single-crystal X-ray diffraction (SCXRD) analysis. Hirshfeld surface and fingerprint plot studies were performed to understand the intermolecular interactions of the BASQ crystal in graphical representation. Functional group identification was studied with FT-IR (Fourier transform-IR) spectroscopy. The positions of proton and carbon atoms in the BASQ compound were analyzed using NMR spectroscopy. High transparency and a wide band gap of 3.49 eV were observed in the linear optical study by UV-vis-NIR spectroscopy. Intense and broad photoluminescence emissions at room temperature were observed in blue and blue-green regions. The frontier molecular orbitals of the BASQ molecule were obtained by the DFT/B3LYP method employing 6-311G** as the basis set. The dielectric study was carried out with temperature at various frequency ranges. The piezoelectric charge coefficient (d33) value of BASQ crystal was found to be 2 pC/N, which leads to its application in energy harvesting, mechanical sensors and actuators applications. In the non-linear optical study, the BASQ crystal showed promising SHG conversion efficiency. Mechanical properties of the BASQ crystal were studied experimentally by Vicker's microhardness technique, which revealed that the grown crystal belonged to the softer category. BASQ crystal void estimation reveals the mechanical strength and porosity of the material.

The structural and optical constants of Ag2S semiconductor nanostructure in the Far-Infrared.

BACKGROUND: In this paper a template-free precipitation method was used as an easy and low cost way to synthesize Ag2S semiconductor nanoparticles. The Kramers-Kronig method (K-K) and classical dispersion theory was applied to calculate the optical constants of the prepared samples, such as the reflective index n(ω) and dielectric constant ε(ω) in Far-infrared regime. RESULTS: Nanocrystalline Ag2S was synthesized by a wet chemical precipitation method. Ag2S nanoparticle was characterized by X-ray diffraction, Scanning Electron Microscopy, UV-visible, and FT-IR spectrometry. The refinement of the monoclinic ß-Ag2S phase yielded a structure solution similar to the structure reported by Sadanaga and Sueno. The band gap of Ag2S nanoparticles is around 0.96 eV, which is in good agreement with previous reports for the band gap energy of Ag2S nanoparticles (0.9-1.1 eV). CONCLUSION: The crystallite size of the synthesized particles was obtained by Hall-Williamson plot for the synthesized Ag2S nanoparticles and it was found to be 217 nm. The Far-infrared optical constants of the prepared Ag2S semiconductor nanoparticles were evaluated by means of FTIR transmittance spectra data and K-K method. Graphical abstractThe Far-infrared optical constants of Ag2S semiconductor nanoparticles.

Enhanced thermal conductivity and viscosity of nanodiamond-nickel nanocomposite nanofluids.

We report a new type of magnetic nanofluids, which is based on a hybrid composite of nanodiamond and nickel (ND-Ni) nanoparticles. We prepared the nanoparticles by an in-situ method involving the dispersion of caboxylated nanodiamond (c-ND) nanoparticles in ethylene glycol (EG) followed by mixing of nickel chloride and, at the reaction temperature of 140°C, the use of sodium borohydrate as the reducing agent to form the ND-Ni nanoparticles. We performed their detailed surface and magnetic characterization by X-ray diffraction, micro-Raman, high-resolution transmission electron microscopy, and vibrating sample magnetometer. We prepared stable magnetic nanofluids by dispersing ND-Ni nanoparticles in a mixture of water and EG; we conducted measurements to determine the thermal conductivity and viscosity of the nanofluid with different nanoparticles loadings. The nanofluid for a 3.03% wt. of ND-Ni nanoparticles dispersed in water and EG exhibits a maximum thermal conductivity enhancement of 21% and 13%, respectively. For the same particle loading of 3.03% wt., the viscosity enhancement is 2-fold and 1.5-fold for water and EG nanofluids. This particular magnetic nanofluid, beyond its obvious usage in heat transfer equipment, may find potential applications in such diverse fields as optics and magnetic resonance imaging.