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

Novel derivatives of 1-(´1, ´3, ´4, ´6-tetra benzoyl-β-D-fructofuranosyl)-1H- benzotriazole and 1-(´1, ´3, ´4, ´6-tetra benzoyl-β-D-fructofuranosyl)-1H- benzotriazole carrying Schiff bases moiety were synthesised and fully characterised. The protection of D- fructose using benzoyl chloride was synthesized, followed by nucleophilic addition/elimination between benzotria- zole and chloroacetyl chloride to give 1-(1- chloroacetyl)- 1H-benzotriazole. The next step was condensation reaction of protected fructose and 1-(1-chloroacetyl)-1H- benzotriazole producing a new nucleoside analogue. The novel nucleoside analogues underwent a second conden- sation reaction with different aromatic and aliphatic amines to provide new Schiff b

Diyala river is the most important tributaries in Iraq, this river suffering from pollution, therefore, this research aimed to predict organic pollutants that represented by biological oxygen demand BOD, and inorganic pollutants that represented by total dissolved solids TDS for Diyala river in Iraq, the data used in this research were collected for the period from 2011-2016 for the last station in the river known as D17, before the river meeting Tigris river in Baghdad city. Analysis Neural Network ANN was used in order to find the mathematical models, the parameters used to predict BOD were seven parameters EC, Alk, Cl, K, TH, NO3, DO, after removing the less importance parameters. While the parameters that used to predict TDS were fourte

A new reversed phase- high performance liquid chromatographic (RP-HPLC) method with Ultraviolet-Visible spectrophotometry has been optimized and validated for the simultaneous extraction and determination of organic acids present in Iraqi calyces of Hibiscus Sabdraffia Linn. The method is based on using ultrasonic bath for extracting organic acids. Limit of detection in µg/ml of Formic acid, Acetic acid, Oxalic acid, Citric acid, Succinic acid, Tartaric acid, and Malic acid 126.8498×10-6, 113.6005×10-6, 97.0513×10-6, 49.7925×10-6, 84.0753×10-6, 92.6551×10-6, and 106.1633×10-6 ,respectively. The concentration of organic acids found in dry spacemen of calyces of Iraqi Hibiscus Sabdraffia Linn. under study: Formic acid, Acetic acid,

Organic light emitting diodes (OLEDs) were fabricated containing host molecule of conjugated polymer MEH-PPV poly (2-methoxy-5-(2'-ethylhexyloxy)-1,4-phenlenevinylene) which was dissolved in chloroform solvent and doped with guest molecules MWCNTs that were dissolved in DMF solvent with different volume ratios 0.05 and 0.15, nanocomposite system which acts as active layer in OLEDs device. The Poly(3,4-ethylenedioxythiophene):poly-(styrenesulfonate) "PEDOT:PSS" and Tris98-hydroxyquinoline) aluminum "Alq3" as hole transport layer HTL and electron transport layer ETL were used respectively, to enhanced the injection charge from the electrodes to the active layer. Spin coating method used for achieving facile and low cost OLED. The absorption s

    Extraction and preparation of red organic dye from beetroot plant in different concentrations by using the solvent extraction process. Ethanol was the solvent used to prepare five different concentrations at the ratio of (Dye: Ethanol) abbreviated (D: E) 5:0,4:1, 3:2, 2:3,1:4. The optical, structural, and morphological properties are studied for the samples. The results appeared using the UV-Vis spectroscope the maximum peak of absorption (A) spectrum at wavelength A_λmax=480 nm when the transmittance (T) at the same wavelength 25% and the reflectivity 0.8%. Florescent (F) spectrum of beetroot dye is measured at wavelength F_λmax=535nm achieved to redshift about Δλ=55 nm. Also, measured the energy band gap

This paper presents the electrical behavior of the top contact/ bottom gate of an organic field-effect transistor (OFET) utilizing Pentacene as a semiconductor layer with two distinctive gate dielectric materials Polyvinylpyrrolidone (PVP) and Zirconium oxide (ZrO2) were chosen. The influence of the monolayer and bilayer gates insulator on OFET performance was investigated. MATLAB software was used to simulate and determine the electrical characteristics of a device. The output and transfer characteristics were studied for ZrO2, PVP and ZrO2/PVP as an organic gate insulator layer. Both characteristics show a high drain current at the gate dielectric ZrO2/PVP equal to -0.0031A and -0.0015A for output and transfer characteristics respectively

A solar cell was manufactured from local materials and was dyed using dyes extracted from different organic plants. The solar cell glass slides were coated with a nano-porous layer of Titanium Oxide and infused with two types of acids, Nitric acid and Acetic acid. The organic dyes were extracted from Pomegranate, Hibiscus, Blackberry and Blue Flowers. They were then tested and a comparison was made for the amount of voltage they generate when exposed to sunlight. Hibiscus sabdariffa extract had the best performance parameters; also Different plants give different levels of voltage.