Browsing Center of Excellence for Geopolymer and Green Technology (CEGEOGTECH) (Articles) by Author "maalidph@yahoo.co.uk"
Now showing items 21-32 of 32
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MgH2 and LiH metal hydrides crystals as novel hydrogen storage material: Electronic structure and optical properties energy
Ali Hussain, Reshak, Prof. Dr. (Elsevier Ltd., 2013-09)We have performed a comprehensive theoretical investigation of the electronic band structure, density of states, electronic charge density and optical properties of the novel hydrogen storage material MgH2 and LiH compounds. ... -
Optoelectronic and thermoelectric properties of KAuX5 (X = S, Se): A first principles study
Wilayat, Khan; Ali Hussain, Reshak, Prof. Dr. (Springer Verlag, 2014-02)The electronic structure as well as optical and thermoelectric properties of the orthorhombic polychalcogenides of gold KAuX5 (X = S, Se) compounds have been investigated using full-potential linearized augmented plane ... -
Optoelectronic and thermoelectric properties of KAuX5 (X = S, Se): A first principles study
Wilayat, Khan; Ali Hussain, Reshak, Prof. Dr. (Springer US, 2014-02)The electronic structure as well as optical and thermoelectric properties of the orthorhombic polychalcogenides of gold KAuX5 (X = S, Se) compounds have been investigated using full-potential linearized augmented plane ... -
Photovoltaic characteristics of hybrid MEH-PPV-nanoparticles compound
Ali Hussain, Reshak, Prof. Dr.; Mukhzeer, Mohamad Shahimin, Dr.; Nurjuliana, Juhari; Vairavan, R. (Elsevier B.V., 2013)Organic solar cell research has vastly developed in recent years. These organic solar cells however are still limited to low power conversion efficiencies. This has led to the generation of photovoltaic cells based on ... -
Structural, elastic, thermal, electronic and optical properties of Ag₂O under pressure
Haleem Ud Din; Ali Hussain, Reshak, Prof. Dr. (Elsevier, 2014-02)In present paper, the structural, elastic, thermal, electronic, optical properties at ambient and high-pressure study of Ag₂O are performed using the full-potential linearized augmented plane wave (FP-LAPW) method within ... -
Structural, electronic and optical properties in earth-abundant photovoltaic absorber of Cu₂ZnSnS₄ and Cu₂ZnSnSe₄ from DFT calculations
Ali Hussain, Reshak, Prof. Dr.; Nouneh, K.; Kityk, I.V.; Jiri, Bila; Auluck, S.; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Sekkat, Z. (ESG, 2014)DFT analyses of band structure dispersion and of contribution of different anionic sub-groups to the studied electronic structure together with the anisotropy of optical functions were performed for the two promising solar ... -
Structural, electronic, and optical properties of orthorhombic and triclinic BiNbO4 determined via DFT calculations
Litimein, F; Rabah, Khenata, Prof. Dr.; Gupta, Sanjeev Kumar, Prof.; Murtaza, Ghulam, Assoc. Prof.; Ali Hussain, Reshak, Prof. Dr.; Abdelmadjid, Bouhemadou; Saad, Binomran; Masood, Yousaf; Jha, Prafulla Kumar (Springer Science+Business Media New York., 2014-11)We performed ab initio calculations using the FPLAW method with the local density approximation (LDA) implemented in the WIEN2 k code for the orthorhombic (α) and triclinic (β) phases of BiNbO4. The modified Becke-Johnson ... -
Surface modification via wet chemical etching of single-crystalline silicon for photovoltaic application
Ali Hussain, Reshak, Prof. Dr.; Mukhzeer, Mohamad Shahimin, Dr.; Safizan, Shaari; N., Johan (Elsevier Ltd., 2013-11)The potential of solar cells have not been fully tapped due to the lack of energy conversion efficiency. There are three important mechanisms in producing high efficiency cells to harvest solar energy; reduction of light ... -
Theoretical calculations for MUO3 (M = Na; K; Rb): DFT + U study
Sikander, Azam; Ali Hussain, Reshak, Prof. Dr. (Elsevier B.V., 2014-09)The energy band structure, density of states and electronic charge density for MUO3 (M = Na; K; Rb) compound has been inspected in support of density functional theory (DFT). We have employed the GGA + U to treat the ... -
Theoretical study of the structural, electronic structure, fermi surface, electronic charge density and optical properties of the of LnVO4 (Ln= Sm, Eu, Gd and Dy)
Ali Hussain, Reshak, Prof. Dr.; Sikander, Azam (Electrochemical Science Group (ESG), 2013-08)We present first-principles calculations of the electronic structure, Fermi surface, electronic charge density and optical properties of LnVO4(Ln= Sm, Eu, Gd and Dy) based on density-functional theory using the local density ... -
Thermoelectric properties of a single graphene sheet and its derivatives
Ali Hussain, Reshak, Prof. Dr.; Saleem Ayaz, Khan; Auluck, Sushil, Dr. (Royal Society of Chemistry, 2014-04)The thermoelectric properties of pristine graphene and H2S adsorbed onto bridge, hollow and top sites of a graphene sheet are investigated using the semi-classical Boltzmann transport theory. The average values of electrical ... -
Third harmonic generation process in Al doped ZnO thin films
Abd-Lefdil, M.; Douayar, A.; Belayachi, A.; Ali Hussain, Reshak, Prof. Dr.; Fedorchuk, Anatolii O.; Pramodini, S.; Poornesh, P.; Nagaraja, K.K.; Nagaraja, H.S. (Elsevier, 2014-01)We have performed studies on the third-order nonlinear optical susceptibility of Al doped ZnO (AZO) thin films using z-scan and third harmonic generation techniques. From the present studies, it reveals that the introduction ...