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Microwave irradiation was used to prepare the CdO nanostructure for photocatalytic activity. The X-ray diffraction profile after 600 °C annealing confirms the phase transition from monoclinic Cd(OH 2) to CdO cubic structure. The typical crystallite sizes of the prepared and annealed nanoparticles are 34 nm–52 nm. The presence of functional groups in the samples is supported by vibrational studies. The optical band gap of as-prepared and annealed samples was calculated using UV spectra. It was discovered to be 3.06 eV for the as-prepared sample and 2.17 eV for the annealed sample. Photoluminescence measurement was selected to study the optical performance of CdO nanoparticles. They confirm the green emission at 522 nm. The morphological and elemental analyses of the CdO nanostructure were recorded using scanning electron microscopy and transmission electron microscopy. The spherical-shaped CdO nanostructures with a uniform size distribution are clearly visible in scanning electron micrographs. TEM micrographs confirm the size of the spherical shaped particles is 50 nm. Using the energy dispersive spectrum, the expected percentages of elements Cd and O were determined. The photocatalytic activity of CdO nanoparticles was tested using methylene blue and rhodamine B. [ABSTRACT FROM AUTHOR]

Microwave synthesis method was adopted to prepare CdO nanoparticles using polyethylene glycol (PEG), NH 3 and NaOH as a co-reagent. A systematic investigation by XRD, SEM, TEM and EDS has been undertaken to evaluate the role of co-reagents on the microstructural and morphological study of the metal oxide nanostructure obtained. The pH of the solution, determined by the co-reagent used, was the main parameter addressing the morphology of CdO nanostructures obtained. By using NH 3 the growth of individual CdO particle is favored at the low pH of 9, likely due to low Cd supersaturation rate at this pH. On the other hand, the presence of NaOH as co-reagent increases pH to 11, enhancing Cd supersaturation and leading mainly to formation of nanowire aggregates. The optical and photoluminescence characteristics of the different CdO nanostructures synthesized have been also evaluated. [ABSTRACT FROM AUTHOR]

• SMST single crystal has grown with a size of 2cm in combination with methanol-acetonitrile solvents by slow evaporation. • The band gap value of SMST is calculated to be 2.69eV, which confirms the semi-conducting nature of SMST. • Global reactivity descriptors confirm that SMST is a soft molecule that is more reactive and highly polarized. The structural characteristics and optimized geometry of salicyl-N-methyl-4-stilbazolium tosylate (SMST), a derivative of the prominent electro-nonlinear optic crystal 4-(N,N-dimethylamino)-N-methyl-4-toluene sulfonate (DAST) is investigated. Its morphology, spectral, vibrational, thermal, and electronic features have been examined in studies like FT-IR, UV-Transmittance spectroscopy, single crystal XRD and TG-DTA analysis. Thermal parameters like activation energy, entropy, enthalpy, and Gibbs free energy suggest that the reaction is slower and non-spontaneous. The optical constants like energy band gap, absorption coefficient, extinction coefficient, refractive index, and skin depth of SMST have been calculated. The energy band gap value is found to be 2.69 eV, which makes SMST a potential and promising material for non-linear optical applications. The dielectric behavior of SMST is in agreement with the property needed for NLO materials. Theoretical calculations like density functional theory and frontier molecular orbitals- HOMO and LUMO are investigated to analyze the structural properties, atomic arrangement, oriented geometry, and dipole moment. Molecular electrostatic potential (MEP), Hirshfeld surface, and 2D fingerprint plot analysis are examined to provide information about the molecular interaction, crystal packing, electron density, and intermolecular properties of atomic contacts. Second Harmonic Generation of SMST shows greater efficiency than urea, which confirms that SMST crystal can leads to many applications in the optical field. [ABSTRACT FROM AUTHOR]