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Supersalts Na2AlX5 (X = F, Cl): Quantum Chemical Study of the Structure, Vibration Spectra and Thermodynamic Properties
(Current Journal of Applied Science and Technology, 2017-06-27)
Theoretical investigation, prediction and design of novel supersalts Na2AlX5 (X = F, Cl) have been performed. The formation of the supersalts was considered through association reactions between different building blocks: ...
Theoretical Study of Cluster Ions Existing in Vapours over Cesium Bromide and Iodide
(British Journal of Applied Science & Technology, 2015-05-13)
The properties of ions Cs2X+, Cs3X2+, CsX2−, and Cs2X3− (X = Br or I) have been studied using the density functional theory and Möller–Plesset perturbation theory of the 2nd and 4th order. For all species the equilibrium ...
Vibrational and Electronic Spectra of Natural Dyes Constituents for Solar Cell Application: DFT and TDDFT Study
(Science Publishing Group, 2015-09-09)
Selected constituents of natural dyes, phenol, 1,2-benzoquinone, 1,4-benzoquinone, 1,4-naphthoquinone, and
9,10-anthraquinone have been studied theoretically using the density functional theory and time-dependent density ...
Geometrical Structure, Vibrational Spectra and Thermodynamic Properties of Chitosan Constituents by DFT Method
(Science Publishing Group, 2014-08-10)
The interaction between glucosamine molecules has been studied theoretically. The geometrical structures of monomer (A), dimer (AA) and trimer (AAA) molecules of glucosamine were optimized and vibrational spectra were ...
Natural dyes for solar cell application: uv-visible spectra and outdoor photovoltaic performance
(Research Journal in Engineering and Applied Sciences, 2014-09)
Successful conversion of visible light into electrical output was achieved by using four locally available natural dyes as
wide band gap semiconductor sensitizers in Dye-sensitized solar cells. Natural dyes extracted from ...
Structure and thermodynamic properties of positive and negative cluster ions in saturated vapour over barium dichloride
(Taylor & Francis online, 2013-03-13)
Geometrical structure, vibration spectra, and enthalpies of dissociation have been investigated for the ions BaCl3−, Ba2Cl3+, Ba3Cl5+, and Ba4Cl7+ which were detected earlier in the saturated vapour over BaCl2. Quantum ...
Effect of Industrial Dust Deposition on Photovoltaic Module Performance: Experimental Measurements in the Tropical Region
(Hindawi, 2019-12-20)
Dust particle accumulation affects outdoor photovoltaic module transmittance of solar cell glazing and thus leads to significant degradation of conversion efficiency owing to lower irradiance reaching the surface. In this ...
Theoretical Study of Structure, Vibration Spectra and Thermodynamic Properties of Cluster Ions in Vapors over Potassium, Rubidium and Cesium Chlorides
(Springer Nature Switzerland AG., 2011-10-04)
The geometrical structure, the frequencies of normal vibrations, and the thermodynamic characteristics of tri- and pentaatomic cluster ions M2Cl+, MCl 2 − , M3Cl 2 + , and M2Cl 3 − (M = K, Rb, or Cs) existing in saturated ...
Theoretical study of the structure and stability of the Na2Cl+, NaCl 2−, Na3Cl 2+, and Na2Cl 3− ions
(Springer Nature Switzerland AG., 2007-11)
The geometrical parameters, normal vibration frequencies, and thermochemical characteristics of the Na2Cl+, NaCl 2−, Na3Cl 2+, and Na2Cl 3− ions in saturated vapors over sodium chloride were calculated by the ab initio ...
Removal of Hydrogen Sulfide from Biogas Using a Red Rock
(Hindawi, 2020-01-27)
The potential of red rock (RR) materials for the removal of H2S from biogas was studied. The rock samples were collected, sieved, and organized in various particle size ranges such as 0.32-250 μm, 250-500 μm, 500-750 μm, ...