This contribution provides an atomistic understanding into the impact of W, Nb, and Mo co-substitution at Hf-site of cubic HfO2 lattice to produce Hf1−xTMxO2 system at x = 25%. The calculations have been performed under the framework of density functional theory supported by Habbured parameter (DFT+U). Structural analysis demonstrates that the recorded lattice constants is in good coherence with the previously published results. For the lattice parameters, contraction by 1.33% comparing with the host system has been reported. Furthermore, the doping effect of TM on the band gap leads to its reduction in the resulting Hf0.75TM0.25O2 configurations. The partial density of states (PDOS) indicate that hybridization through localized electroni

Gallium arsenide diamondoids structural and vibrational properties are investigated using density functional theory at the PBE/6-31(d) level and basis including polarization functions. Variation of energy gap as these diamondoids increase in size is seen to follow confinement theory for diamondoids having nearly equiaxed dimensions. Density of energy states transforms from nearly single levels to band structure as we reach larger diamondoids. Bonds of surface hydrogen with As atoms are relatively localized and shorter than that bonded to Ga atoms. Ga-As bonds have a distribution range of values due to surface reconstruction and effect of bonding to hydrogen atoms. Experimental bulk Ga-As bond length (2.45 Å) is within this distribu

When the guard honey bees, Apis mellifera L., form a clump at the hive entrance or on the flight board, the oriental hornet, Vespa orientails L., either creeps toward the clump or hovers over it in order to take a bee. Once the hornet creeps, only few bees facing the hornet become alert, rock their heads and antennae, open their wings, and take a posture of defense. The rest of the clump stays listless without any signal of concern. However, the clump stays dense and the defending bees do not detach themselves neither from the rest of the clump nor from each other. For this reason, it is very difficult for the hornet to grab a bee unless the latter makes a “mistake” by detaching herself from other adjacent bees. If the hornet grabs s

In this paper, a new 5G Passive Optical Network (5G-PON) employing all-optical orthogonal frequency division multiplexing (AO-OFDM) is proposed in hybrid bidirectional standard single mode fiber (SSMF)/free space optical (FSO). Additionally, an optical frequency generator (OFG) source is utilized. The proposed model is simulated using VPI photonics software. Analytical modeling and simulations have been conducted for a new approach to generate OFG by cascaded two-frequency modulators and one electro-absorption modulator. A sinusoidal RF signal source is utilized to drive all these modulators. The results reveal that 64 optical multiplexed carriers with a frequency spacing of 30 GHz are generated. These optical carriers have power variations

     In this study, gamma ray transmission method have been used to determine the total porosity in four samples: pure Alumina  ( Al₂O₃   ),  Al₂O₃ + (0.2wt%)MgO ,  Al₂O₃ + (0.6wt% )Y₂O₃  and Al₂O₃+ (8wt% ) ZrO₂ .

      The experimental setup for the gamma ray transmission consist of ¹³⁷Cs gamma source ( 662 KeV  ), a  NaI (Tl) scintillation detector measured the attenuation of strongly collimated  gamma beam through alumina samples.

The porosity obtained by the gamma ray transmission method were compare

The influence of Cr3+ doping on the ground state properties of SrTiO 3 perovskite was evaluated using GGA-PBE approximation. Computational modeling results infered an agreement with the previously published literature. The modification of electronic structure and optical properties due to Cr3+ introducing into SrTiO 3 were investigated. Structural parameters assumed that Cr3+ doping alters the electronic structures of SrTiO 3 by shifting the conduction band through lower energies for the Sr and Ti sites. Besides, results showed that the band gap was reduced by approximately 50% when presenting one Cr3+ atom into the SrTiO 3 system and particularly positioned at Sr sites. Interestingly, substituting Ti site by Cr3+ led to eliminating the ban

This contribution investigates structural, electronic, and optical properties of cubic barium titanate (BaTiO3) perovskites using first-principles calculations of density functional theory (DFT). Generalized gradient approximations (GGA) alongside with PW91 functional have been implemented for the exchange–correlation potential. The obtained results display that BaTiO3 exhibits a band gap of 3.21 eV which agrees well with the previously experimental and theoretical literature. Interestingly, our results explore that when replacing Pd atom with Ba and Ti atoms at 0.125 content a clear decrease in the electronic band gap of 1.052 and 1.090 eV located within the visible range of electromagnetic wavelengths (EMW). Optical parameters such as a

Gas sensors based on titanium dioxide (TiO₂) and zinc oxide (ZnO) nanocomposites are considered energy-saving devices that are utilized to find dangerous or harmful gases in an environment. The performance of nitrogen dioxide (NO₂) gas sensors have been improved by spin-coating a TiO₂ and TiO₂:ZnO nanocomposite with varying concentrations (₉₀TiO₂:₁₀ZnO, ₇₀TiO₂:₃₀ZnO, and ₅₀TiO₂:₅₀ZnO). To correlate structural properties with gas-sensing behavior, structural and morphological characterization has been done using FESEM, XRD, and EDX.  Without any ZnO-specific crystalline phase, TiO₂