Importance of spin‐orbit coupling on photovoltaic properties of Pb‐free vacancy ordered double perovskites halides X2TeY6 (X = Cs, Rb, and Y = I, Br, Cl): First …
In this paper, the crystal structures, thermodynamic stability, electronic densities of states,
band structures, and optical properties of the nontoxic Pb‐free vacancy ordered double …
band structures, and optical properties of the nontoxic Pb‐free vacancy ordered double …
The vacancy-ordered halide double perovskite Cs2B1− xTixI6 (B= Zr, Hf) for photovoltaic and photocatalytic hydrogen production by splitting water applications: First …
The structural, electronic, optical, and photocatalytic properties of pure and Ti-doped on the
B-site of Cs 2 BI 6 (B= Hf and Zr) are explored using the first principal calculation based on …
B-site of Cs 2 BI 6 (B= Hf and Zr) are explored using the first principal calculation based on …
Engineering the optoelectronic and thermoelectric properties of Cs2BiAgY6 (Y= Br or Cl) double perovskites through do** with Iodine: a DFT study
First-principles calculations are used to study the optoelectronic and thermoelectric
properties of Cs 2 BiAgY 6-x I x (where Y= Br or Cl, and x= 0.0, x= 0.15 or x= 0.3) materials …
properties of Cs 2 BiAgY 6-x I x (where Y= Br or Cl, and x= 0.0, x= 0.15 or x= 0.3) materials …
Effects of oxygen group elements on thermodynamic stability, electronic structures and optical properties of the pure and pressed BaTiO3 perovskite
Thermodynamic stability, electronic structures, and optical properties of the pure and
pressed BaTiO 3 doped with different concentrations of oxygen group elements (Se, Te, and …
pressed BaTiO 3 doped with different concentrations of oxygen group elements (Se, Te, and …
Theoretical investigations of electronic structure and optical properties of S, Se or Te doped perovskite ATiO3 (A= Ca, Ba, and Sr) materials for eco-friendly solar cells
B Mouhib, S Dahbi, A Douayar, N Tahiri… - Micro and …, 2022 - Elsevier
Structural, electronic, and optical properties of undoped and chalcogens doped ATiO 3
(A= Ca, Ba, and Sr) materials are studied using Density Functional Theory and Local …
(A= Ca, Ba, and Sr) materials are studied using Density Functional Theory and Local …
Earth-abundant nontoxic ternary calcium nitrides inverse perovskites for single-junction solar cells: Ab-initio simulations
A single-junction solar cell with a direct and ideal photovoltaic forbidden bandgap value
which maximizes the photon absorbed is needed for the diversity of solar energy …
which maximizes the photon absorbed is needed for the diversity of solar energy …
A DFT study of electronic structure and optical properties of the pure, doped and co-doped CaZrO3 perovskite for photovoltaic applications
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 …
Electronic and optical properties of bulk Zn2VN3 ternary nitride: First-principles investigation
To explore the scope of the application and provide theoretical guidance of Zn 2 VN 3
ternary nitride, the first principles calculation based on density functional theory (DFT) was …
ternary nitride, the first principles calculation based on density functional theory (DFT) was …
A DFT study of the electronic structure, optical and thermoelectric properties of perovskite CsSnBr3 compound under strains effect: Photovoltaic applications
A El Badraoui, S Dahbi, N Tahiri… - … Physics Letters B, 2024 - World Scientific
Researchers are working on perovskites for photovoltaic applications due to their low cost
and excellent power conversion efficiency. Our investigation has focused on analyzing the …
and excellent power conversion efficiency. Our investigation has focused on analyzing the …
The effect of chalcogens-doped with dilation strain on the electronic, optic, and thermoelectric properties of perovskite BaSnO3 compound
The effects of three axial dilation strains and chalcogens-doped BaSnO3 on the electronic,
optic, and thermoelectric properties of perovskite BaSnO3compound were carried out using …
optic, and thermoelectric properties of perovskite BaSnO3compound were carried out using …