bandgap engineering 1chalcogenide semiconductors 1density functional theory 1kesterite 1transition metal doping 1
From the 1 of 2 linked papers with an AI index.
2 papers
cond-mat.mtrl-sci2026
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
The study uses density functional theory to examine how partially replacing Ni with Mn in Cu2NiXY4 kesterite semiconductors affects their crystal structure and reduces their bandga…
cond-mat.mtrl-sci2026★ 51 cited
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…