Delafossite CuCrO2 nanoparticles with band gap energy of 3.09 eV and surface area of 235 m2 g−1 were prepared by citrate precursor route showed enhanced catalytic degradation of methylene blue in H2O under the sunlight irradiation.
Multiferroic YMnO 3 nanoparticles with a narrow size distribution and high specific surface area (304 m 2 g À1 ) were synthesized using a low temperature polymeric citrate precursor route for the first time. The crystal structure of the monophasic hexagonal YMnO 3 nanoparticles was estimated by powder X-ray diffraction studies. The transmission and scanning electron microscopic studies revealed nearly hexagonal nanostructures with an average grain size of $48 nm. The optical band gap was found to be 3.7 eV and photoluminescence studies also suggest the wide band gap semiconducting nature of YMnO 3 .DC-magnetization studies of YMnO 3 nanoparticles show ferromagnetic hysteresis with saturation magnetization of 21.19 emu g À1 . The appearance of a room temperature ferroelectric loop at 50 kHz has been observed for the first time with an improved remanent polarization of 0.0084 mC cm À2 . The dielectric properties on sintered disks were also investigated as a function of frequency and temperature.
ExperimentalThe following chemicals were used in the synthesis: yttrium nitrate (Alfa Aesar; 99.9%), manganese acetate (Spectrochem; 99%), ethylene glycol (SD ne-chem Ltd; 99%) and citric acid
The electronic and nonlinear optical (NLO) properties of octaphyrin derivatives were studied by employing the DFT/TDFT at CAM-B3LYP/6-311++G (2d, 2p) level of the theory. Thiophene, phenyl, methyl and cyano moieties were substituted on the molecular framework of octaphyrin core, in order to observe the change in optoelectronic and nonlinear response of these systems. The frontier molecular orbital studies and values of electron affinity reveals that the studied compounds are stable against the oxygen and moisture present in air. The calculated ionization energies, adiabatic electron affinity and reorganization energy values indicate that octaphyrin derivatives can be employed as effective n-type material for Organic Light Emitting Diodes (OLEDs). This character shows an enhancement with the introduction of an electron withdrawing group in the octaphyrin framework. The polarizability and hyperpolarizability values of octaphyrin derivatives demonstrate that they are good candidates for NLO devices. The nonlinear response of these systems shows enhancement on the introduction of electron donating groups on octaphyrin moiety. However, these claims needs further experimental verification.
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