Browsing Center of Excellence for Geopolymer and Green Technology (CEGEOGTECH) (Articles) by Title
Now showing items 41-60 of 135
-
Electrical behaviour of MEH-PPV based diode and transistor
(Elsevier Ltd., 2013-11)The potential of organic semiconductor based devices for light generation is demonstrated by the commercialisation of display technologies using organic light emitting diode (OLED). In OLED, organic materials plays an ... -
Electroless Ni-P-Cg(Graphite)-SiC composite coating on cast AlSi alloy
(Trans Tech Publications, 2013)The study presents the electroless N-P-Cg-SiC composite coating on cast AlSi (ADC12) alloy where the bath temperature is maintained at 90°C, pH level is controlled between 4.5 to 5.0 and stirred at 450 rpm with mechanical ... -
Electronic band structure and optoelectronic properties of SrCu2X2(X = As, Sb): DFT calculation
(Springer Science+Business Media New York., 2014-07)All-electron-full potential linear-augmented plane wave method with Engel Vosko approximation was used for calculating the electronic structure, Fermi surface, and optical properties of SrCu2X2 (X = As, Sb). The calculated ... -
Electronic band structure and specific features of AA- and AB-stacking of carbon nitride (C₃N₄): DFT calculation
(Royal Society of Chemistry, 2014-01)The state-of-the-art all-electron full potential linear augmented plane wave based on density functional theory was applied for calculating the structural, electronic band structure, effective mass, density of state, and ... -
Electronic band structure and specific features of Sm2NiMnO6 compound: DFT calculation
(Elsevier BY., 2013-09)The band structure, density of states, electronic charge density, Fermi surface and optical properties of Sm2NiMnO6 compound have been investigated with the support of density functional theory (DFT). The atomic positions ... -
Electronic structure, electronic charge density and optical properties analyses of Rb₂Al₂B₂O₇ compound: DFT
(ESG, 2014-01)We have presented an analysis of some important electronic and optical characteristics of the Rb₂Al₂B₂O₇ compound, based on the ab initio calculations of its electronic band structure, electronic charge density and dielectric ... -
Electronic structure, electronic charge density and optical properties of 3-methyl-1,4-dioxo-1, 4-dohydronaphthalen-2-yl-sulfanyl (C₁₃H₁₀O₄S)
(ESG, 2014)The atomic positions of 3-methyl-1,4-dioxo-1, 4-dohydronaphthalen-2-yl-sulfanyl (3MDS) single crystal taken from XRD data were optimized by minimizing the forces. We make use of the optimized geometry as a starting point ... -
The electronic structure, electronic charge density and optical properties of the diamond-like semiconductor Ag2ZnSiS4
(Springer Berlin Heidelberg, 2013-11)The electronic structure, electronic charge density and optical properties of the diamond-like semiconductor Ag2ZnSiS4 compound with the monoclinic structure have been investigated using a full-relativistic version of the ... -
Electronic structure, Fermi surface and optical properties of metallic compound Be₈(B₄₈)B₂
(Elsevier/NORTH-HOLLAND, 2014-02)The band structure, density of states, electronic charge density, Fermi surface and optical properties for B₈(Be₄₈)B₂ compound has been investigated in the support of density functional theory (DFT). The atomic positions ... -
Electronic structure, magnetism and robust half-metallicity of new quaternary Heusler alloy FeCrMnSb
(Elsevier B.V., 2013)A new quaternary Heusler alloy FeCrMnSb is identified by employing ab initio electronic structure calculations. It is stable in Y-structure which is also verified by various conditions governed by elastic constants c ij. ... -
Electronic structure, optical and thermoelectric transport properties of layered polyanionic hydrosulfate LiFeSO₄OH: Electrode for Li-ion batteries
(Elsevier, 2014)Theoretical analysis of electronic structure and optical properties of LiFeSO₄OH, using the full-potential linearized augmented plane waves (FPLAPW), on the basis of density-functional theory (DFT), with in the local density ... -
Evaluation of the effect of silica fume on amorphous fly ash geopolymers exposed to elevated temperature
(MDPI AG, 2021-01)The properties of amorphous geopolymer with silica fume addition after heat treatment was rarely reported in the geopolymer field. Geopolymer was prepared by mixing fly ash and alkali activator. The silica fume was added ... -
External temperature and pressure effects on thermodynamic properties and mechanical stability of yttrium chalcogenides YX(X=S, Se and Te)
(Elsevier B.V., 2013)The full potential linearized augmented plane wave method within the framework of density functional theory is employed to investigate the structural, thermodynamic and elastic properties of the yttrium chalcogenides (YX: ... -
Extraction of silica from palm ash using organic acid leaching treatment
(Trans Tech Publications, 2014)Agricultural wastes such as palm ash and rice husk have a possibility to be used as a usefully renewable source for production of energy and silica (SiO2). Extensive researches have been carried out to extract silica from ... -
Feasibility study on composition and mechanical properties of marine clay based geopolymer brick
(Trans Tech Publications, 2014)Geopolymer is an inorganic polymer performed in synthesis process of an aluminosilicate material which activated by alkaline activator solution. Marine clay, considered to be a waste substance which have an important ... -
Filling missing data using interpolation methods: Study on the effect of fitting distribution
(Trans Tech Publications, 2014)The presence of missing values in statistical survey data is an important issue to deal with. These data usually contained missing values due to many factors such as machine failures, changes in the siting monitors, routine ... -
Fire resistance evaluation of lightweight geopolymer concrete system exposed to elevated temperatures of 100-800 °C
(Trans Tech Publications, 2014)This paper reports the fire resistance property of a lightweight aggregate geopolymer concrete (LWAGC) material synthesized by the alkali-activation of locally source fly ash (FA) after exposed to elevated temperatures ... -
First principle calculations of transition metal oxide, AgAlO2, as active photocatalyst: sustainable alternative sources of energy
(Electrochemical Science Group (ESG), 2013)Electronic structure, optical properties and electronic charge density of transition metal oxide, AgAlO2 as active photocatalyst are calculated using full potential linearize augmented plane wave (FP-LAPW) method within ... -
First principle study of electronic structure, chemical bonding and optical properties of 5-azido-1H-tetrazole
(Electrochemical Science Group (ESG), 2013)First principle calculations were performed to investigate the electronic band structure, density of states, charge density and optical properties of 5-azido-1H-tetrazole. The calculated band structure shows that the ... -
First principle study of the electronic structure, Fermi surface, electronic charge density and optical properties of ThCu₅In and ThCu₅Sn single crystals
(Elsevier/NORTH-HOLLAND, 2014-02)The electronic structure, Fermi surface, electronic charge density and optical properties of ThCu₅In and ThCu₅Sn single crystals are studied. The calculations are based on the full potential-linearized augmented plane wave ...