School of Materials Engineering (Articles): Recent submissions
Now showing items 341-360 of 553
-
Amino acid 2-aminopropanoic CH 3CH(NH 2)COOH crystals: Materials for photo- and acoustoinduced optoelectronic applications
(Springer Science+Business Media, LLC, 2012-10)Photo-induced treatment of L-alanine single crystals grown by slow evaporation method at an ambient temperature was performed using a 25 ps Nd:YAG pulsed laser in the presence of an external acoustic filed. The changes of ... -
X-ray photoelectron spectrum, X-ray diffraction data, and electronic structure of chalcogenide quaternary sulfide Ag2In 2GeS6: Experiment and theory
(Springer Science+Business Media, LLC, 2013-02)We report measurements of the X-ray diffraction and X-ray photoelectron spectrum on single crystals of Ag2In2GeS6. We also present first principles calculations of the band structure and density of states using the ... -
An ab initio density functional study of the optical functions of 9-Methyl-3-Thiophen-2-YI-Thieno [3,2e] [1,2,4] Thriazolo [4,3c] Pyrimidine-8-Carboxylic Acid Ethyl Ester crystals
(Elsevier B.V., 2012-09)An ab initio investigation of the optical constants of 9-Methyl-3-Thiophen- 2-YI-Thieno [3,2e] [1,2,4] Thriazolo [4,3c] Pyrimidine-8-Carboxylic Acid Ethyl Ester crystal is performed within a framework of local density ... -
Crystallochemical affinity and optical functions of ZrGa2 and ZrGa3 compounds
(Elsevier B.V., 2012-01)The influence of crystallochemical affinity for crystals ZrGa2 and ZrGa3 on the optical properties was studied. We have calculated dispersion of optical constants ε2average(ω). We have established that application of ... -
Bismuth in gallium arsenide: Structural and electronic properties of GaAs 1-xBi x alloys
(Elsevier Inc., 2012-02)The structural and electronic properties of cubic GaAs 1-xBi x alloys with bismuth concentration 0.0, 0.25, 0.50, 0.75 and 1.0 are studied using the 'special quasi-random structures' (SQS) approach of Zunger along with the ... -
Dispersion of the linear and nonlinear optical susceptibilities of disilver germanium sulfide from DFT calculations
(Springer Science+Business Media New York., 2013-03)The dispersion of the linear and nonlinear optical susceptibilities is calculated for disilver germanium sulfide (Ag2GeS3) using the all-electron full potential linearized augmented plane wave (FP-LAPW) method. Calculations ... -
Acentric nonlinear optical 2,4-dihydroxyl hydrazone isomorphic crystals with large linear, nonlinear optical susceptibilities and hyperpolarizability
(American Chemical Society, 2012-04)A systematic ab initio study of the linear, nonlinear optical susceptibilities, and hyperpolarizability of noncentrosymmetric-monoclinic 2,4-dihydroxyl hydrazone isomorphic crystals (DHNPH) within density functional theory ... -
DFT calculation for elastic constants of orthorhombic structure within WIEN2K code: A new package (ortho-elastic)
(Elsevier B.V., 2012-12)A new package for calculating the elastic constants of orthorhombic structure is released. The package called ortho-elastic. The formalism of calculating the ortho-elastic constants is described in details. The package is ... -
Structural, electronic properties and charge density distribution of the LiNaB 4O 7: Theory and experiment
(Elsevier B.V., 2012-11)The title compound was synthesized by employing high-temperature solution reaction methods at 840 °C. Single-crystal XRD analysis showed that it crystallizes in the orthorhombic noncentrosymmetric space group Fdd2, with ... -
Single-crystal oxoborate (Pb 3O) 2(BO 3) 2WO 4: Growth and characterization
(Elsevier Ltd, 2012-09)An oxoborate, (Pb 3O) 2(BO 3) 2WO 4, has been prepared by solid-state reaction methods below 620°C. Single-crystal XRD analysis shows that it crystallizes in the orthorhombic group Cmcm with a = 18.480(4) , b = 6.3567(13) ... -
Linear optical susceptibilities of the oxoborate (Pb 3O) 2(BO 3) 2WO 4: Theory and experiment
(Springer Science+Business Media, 2012-08)The optical susceptibilities have been investigated experimentally and theoretically for a newly synthesized oxoborate, (Pb 3O) 2(BO 3) 2WO 4. The crystal structure is composed of one-dimensional 1 ∞ [Pb 3O] 4+ chains ... -
Linear and nonlinear optical susceptibilities and hyperpolarizability of borate LiNaB 4O 7 single crystals: Theory and experiment
(American Institute of Physics., 2012-09)LiNaB 4O 7 was synthesized by employing high-temperature reaction methods. The purity of the sample was checked by x-ray powder diffraction. The optical properties were measured by analyzing the diffuse reflectance data ... -
Absorption and photoconductivity spectra of Ag 2GeS 3 crystal: Experiment and theory
(Elsevier B.V., 2012-07)Spectral features of polycrystalline Ag 2GeS 3 samples synthesized from high-purity elements (at least 99.99 wt.% purity) in quartz ampoules evacuated to 0.1 Pa were explored. The band energy gap of Ag 2GeS 3 crystals ... -
Electronic structure and magneto-optic Kerr effect in ferromagnetic titanium oxyphosphates Li 0.50Co 0.25TiO(PO4): An ab-initio study
(Elsevier Ltd., 2012-06)The X-ray diffraction for Li 0.50Co 0.25TiO(PO 4), was used as a starting point to perform structural optimization by minimizing the forces acting on the atoms. We have performed a comprehensive theoretical study of ... -
First and second harmonic generation of the XAl 2Se 4 (X=Zn,Cd,Hg) defect chalcopyrite compounds
(Elsevier B.V., 2012-09)The chemical bonding of the ZnAl 2Se 4, CdAl 2Se 4 and HgAl 2Se 4 defect chalcopyrites has been studied in the framework of the quantum theory of atoms in molecules (AIM). The GW quasi-particle approximation is used to ... -
Biodegradability analysis of KBF reinforced poly (lactic acid) biocomposites
(Trans Tech Publications, 2012)Poly (lactic acid) (PLA) and kenaf bast fiber (KBF) were melt-blended using brabender into films in the PLA/KBF ratios of 100/0, 90/10, 70/30 and 50/50 for natural soil burial test. This formulation was used to study the ... -
Polypropylene/natural rubber composites filled with recycled newspaper: Effect of chemical treatment using maleic anhydride-grafted polypropylene and 3-aminopropyltriethoxysilane
(Society of Plastics Engineers, 2012-04)A study on effect of chemical treatment using maleic anhydride-grafted polypropylene (MAPP) and 3-aminopropyltiethoxysilane (3-APE) was investigated. The performance of the MAPP and 3-APE were investigated by means of ... -
Photocatalytic mineralization of azo dye Acid Orange 7 under solar light irradiation
(Desalination Publications, 2012)The objective of this study was to investigate mineralization of hazardous water soluble azo dye Acid Orange 7 (AO7) under photocatalytic process. In this experiment, sunlight was used as the source for UV irradiation and ... -
Solar photocatalytic degradation of mono azo methyl orange and diazo reactive green 19 in single and binary dye solutions: Adsorbability vs photodegradation rate
(Springer-Verlag Berlin Heidelberg, 2013-05)The objective of this study was to examine the effects of adsorbability and number of sulfonate group on solar photocatalytic degradation of mono azo methyl orange (MO) and diazo Reactive Green 19 (RG19) in single and ... -
Performance and kinetic study on bioremediation of diazo dye (reactive black 5) in wastewater using spent GAC-biofilm sequencing batch reactor
(Springer Science+Business Media B.V., 2012-05)Combinations of sequential anaerobic and aerobic process enhance the treatment of textile wastewater. The aim of this study was to investigate the treatment of diazo dye Reactive Black 5 (RB5)- containing wastewater using ...