The vibrational and electronic properties of several basic radiation defects in potassium bromide are computed at the quantum mechanical level using a periodic supercell approach based on hybrid functionals, an all-electron Gaussian-type basis set, and the CRYSTALcomputer code. The exciton energy in alkali halides is sufficient to create lattice defects, such as F–H Frenkel ...

Baimukhanov, Z.; Dauletbekova, A.; Junisbekova, D.; Kalytka, V.; Akilbekov, A.; Akylbekova, A.; Baubekova, G.; Aralbayeva, G.; Bazarbek, A.-D.; Usseinov, A.; et al. Synthesis of Orthorhombic Tin Dioxide Nanowires in Track Templates. Materials 2024, 17, 1226. https://doi.org/10.3390/ ma17061226

Dauletbekova, A.; Zvonarev, S.; Nikiforov, S.; Akilbekov, A.; Shtang, T.; Karavannova, N.; Akylbekova, A.; Ishchenko, A.; Akhmetova-Abdik, G.; Baymukhanov, Z.; et al. Luminescence Properties of ZrO2: Ti Ceramics Irradiated with Electrons and High-Energy Xe Ions. Materials 2024, 17, 1307. https://doi.org/ 10.3390/ma17061307

Akilbekov, A.; Kenbayev, D.; Dauletbekova, A.; Shalaev, A.; Akylbekova, A.; Aralbayeva, G.; Baimukhanov, Z.; Baizhumanov, M.; Elsts, E.; Popov, A.I. The Effect of 147 MeV 84Kr and 24.5 MeV 14N Ions Irradiation on the Optical Absorption, Luminescence, Raman Spectra and Surface of BaFBr Crystals. Crystals 2024, 14, 480. https://doi.org/ 10.3390/cryst14060480

The vibrational and electronic properties of several basic radiation defects in potassium bromide are computed at the quantum mechanical level using a periodic supercell approach based on hybrid functionals, an all-electron Gaussian-type basis set, and the CRYSTALcomputer code. The exciton energy in alkali halides is sufficient to create lattice defects, such as F–H Frenkel ...

We investigated the electronic structure of Mg-, Si-, and Zn-doped four-faceted [001]- and [110]-oriented SnO2 nanowires using first-principles calculations based on the linear combination of atomic orbitals (LCAO) method. This approach, employing atomic-centered Gaussian-type functions as a basis set, was combined with hybrid density functional theory (DFT). Our results show ...

Electrochemical deposition into a prepared SiO2/Si-p ion track template was used to make orthorhombic SnO2 vertical nanowires (NWs) for this study. As a result, a SnO2 -NWs/SiO2/Si nanoheterostructure with an orthorhombic crystal structure of SnO2 nanowires was obtained. Photoluminescence excited by light with a wavelength of 240 nm has a low intensity, arising mainly due ...

Dauletbekova, A.; Zvonarev, S.; Nikiforov, S.; Akilbekov, A.; Shtang, T.; Karavannova, N.; Akylbekova, A.; Ishchenko, A.; Akhmetova-Abdik, G.; Baymukhanov, Z.; et al. Luminescence Properties of ZrO2: Ti Ceramics Irradiated with Electrons and High-Energy Xe Ions. Materials 2024, 17, 1307. https://doi.org/ 10.3390/ma17061307

This study introduces an innovative method for synthesizing Cadmium Oxide /Cadmium Sulfide/Zinc Oxide heterostructures (CdO/CdS/ZnO), emphasizing their potential application in solar energy. Utilizing a combination of electrochemical deposition and oxygen annealing, the research provides a thorough analysis of the heterostructures through scanning electron microscopy (SEM), ...

We investigated the electronic structure of Mg-, Si-, and Zn-doped four-faceted [001]- and [110]-oriented SnO2 nanowires using first-principles calculations based on the linear combination of atomic orbitals (LCAO) method. This approach, employing atomic-centered Gaussian-type functions as a basis set, was combined with hybrid density functional theory (DFT). Our results show ...