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 electronic energy states from TM-5 and 6 d orbitals and O-2 p orbital have participated in narrowing the band gap. Population analysis displays that Hf0.75TM0.25O2 compounds revealed ionic and covalent behavior for Hf-O and TM-O bonds, respectively. The optical investigation portrays that Hf0.75TM0.25O2 systems would absorb a broad range of ultra violet (UV) electromagnetic waves which hence consider them as suitable candidates in optoelectronic memristors industries. Optical analysis also revealed a rise in the optical conductivity and absorption in higher photon energy extent. These compounds are suitable for photovoltaic and other optoelectronic applications. The zero values of the optical conductivity for the simulated systems in a broad range of electromagnetic waves confirm the impossibility of the electronic charge transfer to be occurred through the systems and hence preventing the leakage current which is not preferred in optoelectronic devices such as metal oxide semiconductor field effect transistors (MOSFETs).
Free radical formation in heme proteins is recognized as a factor in mediating the toxicity of many chemicals. The present study was designed to evaluate the dose-response relationship of the free radical scavenging properties of pentoxifylline in nitrite-induced Hb oxidation. Different concentrations of pentoxifylline were added at different time intervals of Hb oxidation in erythrocytes lysate, and formation of methemoglobin (MetHb) was monitored spectrophotometrically. The results showed that in this model, pentoxifylline successfully attenuates Hb oxidation after challenge with sodium nitrite; this protective effect was found to be not related to the catalytic stage of Hb oxidation, th
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The liver (hepatic) is one of the largest glands or organs of the digestive system in the body of living organisms, including rodents, take the squirrel in this study for example. The study and the collection of sources emerged to be put into the hands of those, especially those interested in histological studies, including junior or professionals and veterinarians, knowledge of the stains used in the research and their final results.
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Consuming of by-product or waste materials in highway engineering is significant in the construction of new roads and/or in renovations of the existing ones. Pulverised Fuel ash (PFA), which is a by-product material of burning coal in power stations, is one of these materials that might be incorporated instead of mineral filler in hot asphalt mixtures.
Two types of surface course mixtures have been prepared one with conventional mineral filler i.e. ordinary Portland cement (OPC) while the second was with PFA. Several testings have been conducted to indicate the mechanical properties which were Marshall Stability and Indirect Tensile Strength tests. On the other hand, moisture damage and ageing have been evaluated
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The purpose of this paper to discriminate between the poetic poems of each poet depending on the characteristics and attribute of the Arabic letters. Four categories used for the Arabic letters, letters frequency have been included in a multidimensional contingency table and each dimension has two or more levels, then contingency coefficient calculated.
The paper sample consists of six poets from different historical ages, and each poet has five poems. The method was programmed using the MATLAB program, the efficiency of the proposed method is 53% for the whole sample, and between 90% and 95% for each poet's poems.
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The present paper includes a study of color variation in Iraqi Collared dove Streptopelia decaocto. Three different populations have been recognized: the southern population which belongs to the Indian race, the northern population to the Eurasian race; the dark and light color variation occurs in the Baghdad population because of hybridisation between the two races, found infected with two cestodes, Raillietina echinobothrida found in most of our specimens, while the dark face found beside R. echinobothrida infected with Idiogenes sp. getting it probably from vertebrate sources. We believe that most of the Baghdad population was intermediate between north and south races.
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