A theoretical investigation of the lead‐free double perovskites halides Rb2XCl6 (X = Se, Ti) for optoelectronic and thermoelectric applications
In this study, structural, electronic, optical, thermoelectric, and thermodynamics properties of
vacancy‐ordered double perovskites Rb2XCl6 (X= Se, Ti) were explored theoretically. The …
vacancy‐ordered double perovskites Rb2XCl6 (X= Se, Ti) were explored theoretically. The …
First-principles investigations of Na2CuMCl6 (M= Bi, Sb) double perovskite semiconductors: materials for green technology
Investigations of stable lead-free perovskites have ignited an increasing interest in
overcoming lead-based perovskites' instability and toxicity problems. This study thoroughly …
overcoming lead-based perovskites' instability and toxicity problems. This study thoroughly …
A comprehensive first-principles study on the physical properties of Sr2ScBiO6 for low-cost energy technologies
This paper presents a thorough first-principles investigation of the physical attributes of the
double perovskite (DP) oxide, Sr2ScBiO6. The calculated lattice constant and the bond …
double perovskite (DP) oxide, Sr2ScBiO6. The calculated lattice constant and the bond …
First-principles calculations to investigate electronic, structural, optical, and thermoelectric properties of semiconducting double perovskite Ba2YBiO6
This paper presents a computational analysis of some physical properties of Ba 2 YBiO 6
double perovskite, using full potential density functional theory (DFT) calculations. Our study …
double perovskite, using full potential density functional theory (DFT) calculations. Our study …
First-principles investigations of Ba2NaIO6 double perovskite semiconductor: material for low-cost energy technologies
The investigations on the physical properties of the Ba 2 NaIO 6 double perovskite, in this
work, are presented. These investigations are carried out using WIEN2k computational code …
work, are presented. These investigations are carried out using WIEN2k computational code …
First-principles investigations on the structural, optoelectronic, mechanical and transport properties of new stable lead-free double perovskites Cs2BB′ I6 (B= Ag/Rb …
Lead-free perovskite halides offer a promising alternative due to the successful replacement
of lead-based perovskites in various applications. Density functional theory simulations have …
of lead-based perovskites in various applications. Density functional theory simulations have …
[HTML][HTML] Probing direct bandgap of double perovskites Rb2LiTlX6 (X= Cl, Br) and optoelectronic characteristics for Solar cell applications: DFT calculations
M Manzoor, MW Iqbal, M Imran, NA Noor… - Journal of Materials …, 2022 - Elsevier
A fascinating novelclass of double perovskites materials with interesting optoelectronic and
transport features have been discovered. In the current study, optoelectronics and the …
transport features have been discovered. In the current study, optoelectronics and the …
Tuning of band gap by variation of halide ions in K2CuSbX6 (X= Cl, Br, I) for solar cells and thermoelectric applications
The double perovskites have obtained remarkable attention in the field of solar cells and
renewable energy applications. Here in present article, the optical and transport properties …
renewable energy applications. Here in present article, the optical and transport properties …
First-principles calculations to investigate structural, magnetic, optical, electronic and thermoelectric properties of X2MgS4 (X= Gd, Tm) spinel sulfides
Full potential linearized augmented plan wave (FP-LAPW) method based on density
functional theory (DFT) is used to explore the optoelectronic, structural, thermo-electric and …
functional theory (DFT) is used to explore the optoelectronic, structural, thermo-electric and …
Modification of band gaps by changing anions to optimize the double perovskites K2NaTlX6 (X= Cl, Br, I) for solar cells and transport applications
Double perovskites are emerging materials for solar cell and thermoelectric applications due
to their environmentally friendly nature, high stability, and excellent functioning. In the …
to their environmentally friendly nature, high stability, and excellent functioning. In the …