[HTML][HTML] First-principles insights into the electronic, optical, mechanical, and thermodynamic properties of lead-free cubic ABO3 [A= Ba, Ca, Sr; B= Ce, Ti, Zr] …
A comparative study on mechanical, thermodynamic, electronic, and optical properties has
been performed on various compounds having an ABO 3, where A= Ba, Ca, Sr and B= Ce …
been performed on various compounds having an ABO 3, where A= Ba, Ca, Sr and B= Ce …
First-principles studies of structural, vibrational, elastic, optoelectronic, and thermoelectric properties of doped, alloyed, and strained CsGeCl3 for photovoltaic …
M El Akkel, S Dahbi, S Benyoussef, N Tahiri… - Solar Energy, 2024 - Elsevier
Due to their improved Power Conversion Efficiency (PCE), reduced cost, and simplified
manufacturing, perovskite solar cells (PSCs) have recently become increasingly appealing …
manufacturing, perovskite solar cells (PSCs) have recently become increasingly appealing …
Pressure induced electronic, optical and thermoelectric properties of cubic BaZrO3: a first principle calculations
S Mubashir, MK Butt, M Yaseen, J Iqbal, M Iqbal… - Optik, 2021 - Elsevier
The optical, band structure (BS) and thermoelectric (TE) characteristics of of cubic BaZrO 3
perovskite are examined under a pressure range of 0− 21 GPa, through Perdew-Burke …
perovskite are examined under a pressure range of 0− 21 GPa, through Perdew-Burke …
High-Throughput screening of inorganic lead-free halide perovskites CsCu2X3 (X= Cl, Br, I) for optoelectronics applications
This study effectively explores in detail the structural, optical, electronic, elastic, mechanical,
lattice vibrational and thermodynamic features of orthorhombic CsCu 2 X 3 (X= Cl, Br, I) …
lattice vibrational and thermodynamic features of orthorhombic CsCu 2 X 3 (X= Cl, Br, I) …
Tailoring the structural and electro-optical properties of avisible-light emitting BaZrO 3 photocatalyst: integrating DFT and comprehensive experimental analysis
In the present work, the synthesis of BaZrO3 nano-ceramics is explored through flash
combustion utilizing glycine as a fuel. The resulting nanoparticles exhibit a cubic Pmm …
combustion utilizing glycine as a fuel. The resulting nanoparticles exhibit a cubic Pmm …
Tuning the photocatalytic performance of halide perovskites for efficient solar hydrogen production: A DFT study of CsGeCl3-xXx (X= Br, I)
M El Akkel, H Ez-Zahraouy - Solid State Communications, 2024 - Elsevier
Photoelectrochemical water splitting holds immense potential for sustainable hydrogen
production to address mounting energy demands. However, the development of efficient …
production to address mounting energy demands. However, the development of efficient …
Chalcogens' impurities and a single F-center in perovskite SrHfO3 compound: Ab initio calculations
S Dahbi, N Tahiri, O El Bounagui… - Materials Science in …, 2022 - Elsevier
The effects of Sulfur (S), Selenium (Se), or Tellurium (Te) doped SrHfO 3 (SHO) on the
electronic, optical and photocatalytic properties have been investigated using Density …
electronic, optical and photocatalytic properties have been investigated using Density …
A DFT study of electronic structure and optical properties of the pure, doped and co-doped CaZrO3 perovskite for photovoltaic applications
A El Badraoui, S Dahbi, N Tahiri, O El Bounagui… - Journal of the Korean …, 2023 - Springer
The present study investigates the effects, of V and/or N-doped CaZrO3 on the electronic
and optical properties using spin-polarized density functional theory calculations. It was …
and optical properties using spin-polarized density functional theory calculations. It was …
Calcium hafnate perovskite from an insulator to a semiconductor for photovoltaic and photocatalytic hydrogen production from water splitting applications
S Dahbi, N Tahiri, O El Bounagui… - Superlattices and …, 2021 - Elsevier
Converting solar energy into electrical or chemical energy is an effective solution to produce
clean and less expensive energy. Based on this, this paper sheds new light on the …
clean and less expensive energy. Based on this, this paper sheds new light on the …
Exploring novel characteristics of GaBaX3 (X= F, Cl, Br, I, H) for energy harvesting applications: A DFT-based analysis
In recent years, hydrogen is emerged as a clean energy source. Its production and storage
are two main divisions that are in the developing phase. Researchers are now considering …
are two main divisions that are in the developing phase. Researchers are now considering …