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First-principles Study of Structural and Electronic Properties of Mn-doped Cu2NiXY4 (X=Sn, Ge, Si; Y=S, Se) Chalcogenide Semiconductors
Iskandar Raufzoda, Dilshod Nematov, Amondullo Burhonzoda
In this work, the effect of partial substitution of Mn by Ni on the structural and electronic properties of kesterite systems Cu2NiXY4 (X = Sn, Ge, Si; Y = S, Se) was studied using…
Molecular Adsorption of H2O on TiO2 and TiO2:Y Surfaces
Dilshod Nematov, Khilmirzo Kholmurodov, Mirzoaziz Husenzoda +2
In this work, using theoretical calculations within the framework of the density functional theory, taking into account the dispersive VDW interaction, the processes of adsorption…
Electronic, Optical and Elastic Properties of Perovskite CsSnICl (x = 0, 1, 2, 3): Using First Principles Study
Amondulloi S. Burhonzoda, Dilshod D. Nematov, Mekhrdod S. Kurboniyon +4
The structural, electronic, optical and elastic properties of perovskites of the -, - and -phase family CsSnICl (x = 0, 1, 2, 3) are analyzed by ab initio meth…
The Effect of Structural Phase Changes on Fermi Level Shifts and Optoelectronic Properties of Lead-Free CsSnI3 Perovskites
Dilshod D. Nematov, Amondulloi S. Burhonzoda, Mekhrdod S. Kurboniyon +4
The work carried out first-principles calculations within the framework of density functional theory to study the structural stability of the CsSnI3 compound and the influence of p…
Analysis of the structural characteristics and optoelectronic properties of CaTiO3 as a non-toxic raw material for solar cells: a DFT study
D. D. Nematov, A. S. Burhonzoda, F. Shokir
Structural and optoelectronic properties of α, \{beta}, γ phases of calcium titanate are studied with the implementation of first-principles quantum-chemical calculations in the fr…