First-principles calculations to investigate structural, optoelectronics and thermoelectric properties of lead free Cs2GeSnX6 (X= Cl, Br)
D Behera, SK Mukherjee - Materials Science and Engineering: B, 2023 - Elsevier
In the present investigation, we examined the structural, elastic, electronic, optical as well as
thermoelectric features of Cs 2 GeSnX 6 (X= Cl, Br) double perovskite compounds …
thermoelectric features of Cs 2 GeSnX 6 (X= Cl, Br) double perovskite compounds …
First-principle investigations on optoelectronics and thermoelectric properties of lead-free Rb2InSbX6 (X = Cl, Br) double perovskites: for renewable energy …
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 …
transport characteristics of double perovskite Rb2InSbX6 (X= Cl, Br) employing the FP …
First principles studies on optoelectronics and transport properties of KSrY (Y= Sb, Bi) for renewable energy application
D Behera, S Al-Qaisi, M Manzoor, R Sharma… - Materials Science and …, 2023 - Elsevier
Currently, producing equipment and goods of all kinds that are economical, energy-efficient,
and ecologically friendly is the main objective. In this study, an attempt has been made to …
and ecologically friendly is the main objective. In this study, an attempt has been made to …
Scrutinize the physical attributes of thermodynamically and elastically stable double perovskite oxides Ba2CdXO6 (X= Mo, U) for optoelectronics, photocatalytic and …
Perovskite oxides offer a rich playground for researchers due to their versatile properties,
which make them valuable in diverse applications. We studied the stable phases of Ba 2 …
which make them valuable in diverse applications. We studied the stable phases of Ba 2 …
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 …
WIEN2k code to examine the structural, electronic, elastic, and thermoelectric properties of …
First-Principles Calculations of Novel Lead-Free X2GeSnI6 (X = Rb, Cs) Double Perovskite Compounds for Optoelectronic and Energy Exploitations
We investigate the structural, optoelectronic, and thermoelectric properties of halide double
perovskite X2GeSnI6 (X= Rb, Cs) compounds employing the full potential linearized …
perovskite X2GeSnI6 (X= Rb, Cs) compounds employing the full potential linearized …
[HTML][HTML] Highly efficient and stable Ra2LaNbO6 double perovskite for energy conversion device applications
Using first-principles calculations, in this piece of work, authors have investigated the
physical properties of Ra 2 LaNbO 6 double perovskite by employing the linearized …
physical properties of Ra 2 LaNbO 6 double perovskite by employing the linearized …
Optoelectronic and thermoelectric properties of novel stable lead-free cubic double perovskites A 2 NaIO 6 (A= Ca, Sr) for renewable energy applications
MA Ali, AA Alothman, M Mushab… - Physical Chemistry …, 2024 - pubs.rsc.org
Over the past decade, perovskites have received considerable attention because of their
record power conversion efficiency (25.7%) in solar cells. These materials have also …
record power conversion efficiency (25.7%) in solar cells. These materials have also …
Structural, elastic, mechanical, and thermodynamic characteristic of NaReO3 and KReO3 perovskite oxides from first principles study
The density functional theory was used in the present study to analyse the structural,
electronic, mechanical and thermodynamic properties of the perovskite oxides XReO3 …
electronic, mechanical and thermodynamic properties of the perovskite oxides XReO3 …
A Comprehensive First-Principles Investigation of SnTiO3 Perovskite for Optoelectronic and Thermoelectric Applications
In this work, the structural, elastic, electronic, thermodynamic, optical, and thermoelectric
properties of cubic phase SnTiO3 employing first-principles calculation are examined. The …
properties of cubic phase SnTiO3 employing first-principles calculation are examined. The …