A DFT approach to explore the structural, optoelectronic, mechanical, and thermoelectric attributes of lead-free RbInX3 (X= I, Br, Cl) halide perovskites for renewable …

H Murtaza, Q Ain, J Munir, HM Ghaithan… - Physica …, 2024 - iopscience.iop.org
Halide perovskites are significant due to their versatility and high performance in
optoelectronics and green technologies. This paper thoroughly investigates the structural …

Optoelectronics and Transport Phenomena in Rb2InBiX6 (X = Cl, Br) Compounds for Renewable Energy Applications: A DFT Insight

D Behera, SK Mukherjee - Chemistry, 2022 - mdpi.com
In this study, we used the FP-LAPW technique based on density functional theory applied in
WIEN2k code to examine the structural, electronic, elastic, and thermoelectric properties of …

First-principle investigations on optoelectronics and thermoelectric properties of lead-free Rb2InSbX6 (X = Cl, Br) double perovskites: for renewable energy …

D Behera, B Mohammed, S Taieb, B Mokhtar… - The European Physical …, 2023 - Springer
In the current study, we analyzed the structural, mechanical, optoelectronics as well as
transport characteristics of double perovskite Rb2InSbX6 (X= Cl, Br) employing the FP …

First-principles calculations to investigate structural, mechanical, electronic, optical, and thermoelectric properties of novel cubic double Perovskites X2AgBiBr6 (X= Li …

NA Aqtash, SM Al Azar, AY Al-Reyahi… - Molecular …, 2023 - Taylor & Francis
ABSTRACT Structural, elastic, electronic, optical, and thermoelectric properties of cubic
double perovskites X2AgBiBr6 (X= Li, Na, K, Rb, Cs) were investigated using the density …

Thermoelectric and optoelectronic properties of novel lead-free halide perovskites CsRbTiX6 (X= I, Br and Cl) for photovoltaic applications

A Harbi, M Moutaabbid - Computational Condensed Matter, 2022 - Elsevier
Motivated by the physical properties of halide perovskites. The density functional theory was
used to investigate the structural stability, elastic, electronic, optical and thermoelectric …

[HTML][HTML] First principles insight into band gap tuning in bismuth based double perovskites X2NaBiCl6 (X= Cs, Rb, K) for enhanced optoelectronic and thermoelectric …

SZA Shah, S Niaz, T Nasir, J Sifuna - Results in Chemistry, 2023 - Elsevier
Owing to the energy shortages and various severe adverse effects of traditional fossil fuel
power generation mechanisms, photovoltaic and thermoelectric materials are considered as …

Exploring structural, thermodynamic, elastic, electro-optic, and thermoelectric characteristics of double perovskites Rb2XInBr6 (X= Na, K) for photovoltaic applications …

A Ayyaz, G Murtaza, M Shafiq, MQ Shah, N Sfina, S Ali - Solar Energy, 2023 - Elsevier
The structural, thermodynamic, elastic, electro-optic, and thermoelectric properties of the
emerging double perovskites Rb 2 XInBr 6 (X= Na, K) were investigated. The cubic phase of …

Ab-initio calculations of structural, optoelectronic, thermoelectric, and thermodynamic properties of mixed-halide perovskites RbPbBr3− xIx (x= 0 to 3): applicable in …

M Rani, PK Kamlesh, S Kumawat, U Rani… - ECS Journal of Solid …, 2023 - iopscience.iop.org
In the present research work, we have examined the variations in the structural, electronic,
optical, thermoelectric, and thermodynamic properties of mixed halide perovskites, RbPbBr …

Theoretical Investigation of the Lead-Free K2InBiX6 (X = Cl, Br) Double Perovskite Compounds Using Ab Initio Calculation

D Behera, SK Mukherjee - JETP Letters, 2022 - Springer
In this study, we employ the full potential linearized augmented plane wave technique based
on density functional theory applied in the WIEN2k code to examine the structural, elastic …

Probing the electronic, optical and transport properties of halide double perovskites Rb2InSb (Cl, Br) 6 for solar cells and thermoelectric applications

M Kibbou, Z Haman, N Khossossi, D Singh… - Journal of Solid State …, 2022 - Elsevier
Halide-based double perovskites have recently been promoted as high-performing
semiconductors for photovoltaic and thermoelectricity applications owing to their outstanding …