Summary
Within first principles calculations, the electronic structure, thermodynamic, mechanical stability, magnetism, and phonon properties of the inverse perovskite (Na3OCl) have been summed up. The Birch‐Murnaghan derived lattice constant and bond‐lengths are identical, when compared to the experimental data. A direct energy gap of 2.18 eV observed from the band structure reveals the semiconducting nature of the present oxide. Also, the application of strain on electronic properties predicts the decrease in bandgap with respect to compressive strain and vice versa. The constituent nonmagnetic atoms in its crystal propose the total magnetic moment to be zero and the same is supported by susceptibility data. In addition to the negative Cauchy's pressure, the small bulk modulus compared to Young's modulus determined from elastic constants, possibly claims it as a brittle material. Also, the temperature dependent Gruneisen parameter (1.58) and Debye temperature (382.27 K) are determined to reveal the lattice thermal conductivity (κ = 6.48 W/mK) at room temperature.
Nanomaterials-based sensors are in demand for early-stage disease detection as a diagnostic tool. Here, we prepare a non-enzymatic electrochemical sensor using hydrothermally synthesized nano-berries shaped cobalt oxide (Co3O4) nanostructures on...
In this paper, we
report the synthesis of zinc indium sulfide (ZnIn
2
S
4
) microspheres synthesized via a low-temperature
route, and the as-synthesized material was used for photocatalytic
degradation of malachite green (MG), methyl orange (MO), and Direct
Red 80 (DR-80) dyes. The as-synthesized material was characterized
by powder X-ray diffraction and field-emission scanning electron microscopy
for studying the crystal structure and surface morphology, respectively.
Fourier transform infrared spectroscopy was performed to determine
the functional groups attached. UV–Visible absorption spectrometry
was done for light absorbance and band gap analysis, and Mott–Schottky
analysis was performed to determine the nature and flat band potential
of the material. A scavenger study was performed to analyze the active
species taking part in the degradation process. The reusability of
the material was tested up to four cycles to check the reduction
in efficiency after each cycle. A time-correlated single-photon counting
study was performed to observe the average lifetime of generated excitons
during photocatalysis. It was found that the as-synthesized porous
sample is more efficient in degrading the cationic dye than anionic
dyes, which is further explained in the article.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.