The non-linear components has been emphasized for its multiple applications in rewritable recording and data storage devices. Chalcogenide glasses materials are promising due to their high refractive index. In this paper, alloys for Ge₃₀Te_70-xSb_xglasses semiconductor (where x =0.0, 5, 10, 15 and 20) will be fabricated by melt quenching method. The effect of partial substitution on DC electric power parameters, and its knowledge of electrical conduction mechanisms, were investigated to determine the effect of Antimony on the density of extended states, local states, and in Fermi energy states. The electrical measurements revealed the existence of three conduction mechanis

Promoting the production of industrially important aromatic chloroamines over transition-metal nitrides catalysts has emerged as a prominent theme in catalysis. This contribution provides an insight into the reduction mechanism of p-chloronitrobenzene (p-CNB) to p-chloroaniline (p-CAN) over the γ-Mo2N(111) surface by means of density functional theory calculations. The adsorption energies of various molecularly adsorbed modes of p-CNB were computed. Our findings display that, p-CNB prefers to be adsorbed over two distinct adsorption sites, namely, Mo-hollow face-centered cubic (fcc) and N-hollow hexagonal close-packed (hcp) sites with adsorption energies of −32.1 and −38.5 kcal/mol, respectively. We establish that the activation of nit

Accurate description of thermodynamic, structural, and electronic properties for bulk and surfaces of ceria (CeO₂) necessitates the inclusion of the Hubbard parameter (U) in the density functional theory (DFT) calculations to precisely account for the strongly correlated 4f electrons. Such treatment is a daunting task when attempting to draw a potential energy surface for CeO₂-catalyzed reaction. This is due to the inconsistent change in thermo-kinetics parameters of the reaction in reference to the variation in the U values. As an illustrative example, we investigate herein the discrepancy in activation and reaction energies for steps underlying the partial and full hydrogenation of acetyl

This work focuses on the preparation of pure nanocrystalline SnO2 and SnO2:Cu thin films on cleaned glass substrates utilizing a sol-gel spin coating and chemical bath deposition (CBD) procedures. The primary aim of this study is to investigate the possible use of these thin films in the context of gas sensor applications. The films underwent annealing in an air environment at a temperature of 500 ^◦C for duration of 60 minutes. The thickness of the film that was deposited may be estimated to be around 300 nm. The investigation included an examination of the structural, optical, electrical, and sensing characteristics, which were explored across various preparation circumstances, specifically focusing on varied

An electrochemical sensor based on an amino-functionalized iron NH2-MIL-101(Fe) metal-organic framework (MOF)/Pd nanoparticles (NPs) composite-modified screen-printed elec­trode (SPE) is prepared for the simultaneous determination of norepinephrine (NEPI) and acetaminophen (ACP). The NH2-MIL-101(Fe) MOF/Pd NPs/SPE electrochemical sensor shows a significant enhancement in the response peak current of NEPI, as compared to bare SPE. This suggests that the unique features of NH2-MIL-101(Fe) MOF/Pd NPs composite-mo­di­fied SPE improve the electro­catalytic oxidation of NEPI. Such a synergistic effect bet­ween NH2-MIL-101(Fe) MOF and Pd NPs results in a significant enhancement in the res­pon­se, where the MOF's high surface area co