Browsing Center of Excellence for Geopolymer and Green Technology (CEGEOGTECH) (Articles) by Author "Jiri, Bila"
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Electronic structure, electronic charge density and optical properties of 3-methyl-1,4-dioxo-1, 4-dohydronaphthalen-2-yl-sulfanyl (C₁₃H₁₀O₄S)
Sikander, Azam; Jiri, Bila; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Ali Hussain, Reshak, Prof. Dr. (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 ... -
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 ...