A5091069299- Perovskite Materials and Applications
- Heusler alloys: electronic and magnetic properties
- Chalcogenide Semiconductor Thin Films
- Advanced Thermoelectric Materials and Devices
- Thermal Expansion and Ionic Conductivity
- Magnetic and transport properties of perovskites and related materials
- Solid-state spectroscopy and crystallography
- ZnO doping and properties
- Advanced Condensed Matter Physics
- Atomic and Molecular Physics
- Inorganic Chemistry and Materials
- Optical properties and cooling technologies in crystalline materials
- Multiferroics and related materials
- Hydrogen Storage and Materials
- MXene and MAX Phase Materials
- Advanced Chemical Physics Studies
- Nuclear physics research studies
- 2D Materials and Applications
- Dielectric properties of ceramics
- Electron and X-Ray Spectroscopy Techniques
- Ferroelectric and Piezoelectric Materials
- Advanced Materials and Mechanics
- Advanced NMR Techniques and Applications
- Hybrid Renewable Energy Systems
- Thermal properties of materials
Prince Sattam Bin Abdulaziz University
2020-2024
Kafrelsheikh University
2020-2024
Al-Azhar University
2024
King Khalid University
2022
Nowadays double perovskites for renewable energy are emerging materials because of their interesting properties such as simple and stable crystal structure. In our study, we theoretically explored the optoelectronic along with mechanical thermoelectric characteristics X2InSbO6 (X = Sr, Ba) using density functional theory followed by Wein2k code. The thermodynamic structural stabilities determined based on enthalpy formation tolerance factor. ductile brittle behavior has been checked Passion...
The clean and green energy is a merging technology of advanced era to achieve the demands requirements. For this purpose, double perovskites Rb2AgAlZ6 (Z = Br, I) are explored comprehensively in terms optical, mechanical, thermoelectric, thermodynamic characteristics. stability structures, elastic have been ensured through tolerance factor, Born Criteria, formation energy. constants cubic symmetry analyzed distinguish ductile/brittle nature, anisotropy, Harness, minimum lattice thermal,...
The variant double perovskites are considered novel materials for solar cells and optoelectronic applications. Here, we explored electronic, mechanical, optical characteristics of Cs2SeX6 (X = Cl, Br, I) by density functional theory (DFT) analysis. tolerance factor between 0.97–1.0 signifies the structural stability investigated compounds while thermodynamic mechanical stabilities were ensured positive frequencies phonon dispersion as well elastic constants. Moreover, Poisson Pugh's ratios...
The control of spin degree freedom in electronics open new horizons to manipulate, transfer, and storage data at fasters speed. For this the structural, electronic, magnetic characteristics BaCr2X4 (X = S, Se, Te) spinels are addressed comprehensively. more energy release ferromagnetic states than antiferromagnetic states, formation verified thermal stability FM states. Curie temperature, polarization density have been reported for room temperature ferromagnetism. detail nature...
Abstract The high stability, lead free, environment friendly and excellent performance of double perovskites make them emerging materials for solar cells thermoelectric generators. Therefore, here optical, electronic, characteristics Rb 2 AgAsX 6 (X = Cl, Br, I) are studied comprehensively by first principle approach. thermodynamic stability is ensured through formation energy structural calculating tolerance factor. DPs band gaps tuned from 2.21 eV to 1.50 eV, 0.52 the replacing anions (Cl...
The double perovskites are promising for solar cells and other optoelectronic applications. In this article, the optoelectronic, transport characteristics of new Ga2PdCl6, Ga2PdBr6, Ga2PdI6 addressed. structural thermodynamic stabilities have been addressed by tolerance factor, positive frequency phonon dispersion. reported band gaps 2.05 eV, 1.60 eV 0.80 which increases their performance cells. Ga2PdBr6 is ideal visible light with absorption 400 nm–620 nm. optical properties analyzed...
The double perovskites became appealing over time for solar cells and optoelectronic applications due to their extraordinary optical transport properties. Here, we investigate the thermoelectric behavior of a newly developed perovskite X2AgBiI6 (X = K, Rb, Cs) DPs. To ensure structural stability, computed tolerance factor falls in appropriate range. formation energy has also been incorporated thermodynamic stability. reported band gaps (1.35, 1.30, 1.26) eV (K, fall ideal range which is...
The present investigation informs a descriptive study of 1-(4-Hydroxyphenyl) -3-phenylprop-2-en-1-one compound, by using density functional theory at B3LYP method with 6-311G** basis set. oxygen atoms and π-system revealed high chemical reactivity for the title compound as electron donor spots active sites an electrophilic attack. Quantum parameters such hardness (η), softness (S), electronegativity (χ), electrophilicity (ω) were yielded descriptors molecule’s behavior. optimized molecular...