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 …
Modeling and simulation of multifaceted properties of X2NaIO6 (X = Ca and Sr) double perovskite oxides for advanced technological applications
Context In this study, the authors have investigated the structural, optoelectronic,
thermoelectric, and thermodynamic properties of Ca2NaIO6 and Sr2NaIO6 double …
thermoelectric, and thermodynamic properties of Ca2NaIO6 and Sr2NaIO6 double …
Revealing vibrational, elastic, electro-optic, and thermoelectric aspects of double perovskites Na2ScCuX6 (X= Cl, Br) for energy harvesting applications by …
Currently, the novel combination of double perovskites Na 2 ScCuX 6 (X= Cl, Br) is being
investigated as a potential solution to fulfil the energy requirements. For this purpose, the …
investigated as a potential solution to fulfil the energy requirements. For this purpose, the …
First-principles analysis to assess the solar water splitting and hydrogen storage capabilities of Cs2XGaH6 (X= Al, Na)
Hydrogen storage has gained popularity recently due to its advantages as an energy
source. Research on hydrogen storage applications primarily focuses on evaluating the …
source. Research on hydrogen storage applications primarily focuses on evaluating the …
Insight into the structural, elastic, phonon dispersions, and optoelectronic properties of Cs2YXCl6 (X= In, Tl) double perovskites for solar cells and energy conversion …
Due to their lack of lead, stability, and outstanding performance, double perovskites have
emerged as a prominent subject of study in solar cell research. Thus, we present an analysis …
emerged as a prominent subject of study in solar cell research. Thus, we present an analysis …
[HTML][HTML] Optoelectronic and thermoelectric analysis of halide stable double perovskite Rb2TlSbX6 (X= Cl, Br, I) via DFT calculations
To explore a good candidate for solar cell applications as an alternative to lead-independent
materials, we calculated the structural and mechanical stability of the Rb 2 TlSbX 6 (X= Cl …
materials, we calculated the structural and mechanical stability of the Rb 2 TlSbX 6 (X= Cl …
First-principles evaluation of lead-free X2NaIO6 (X= Sr, Ba) Double-Perovskite: for optoelectronic and solar cell applications
The standard lead-free double perovskite X 2 NaIO 6 has become a viable alternative for
lead-based perovskites due to its remarkable optoelectronic capabilities, high stability, non …
lead-based perovskites due to its remarkable optoelectronic capabilities, high stability, non …
Investigating the multifaceted characteristics of Ba2FeWO6 double perovskite: insights from density functional theory
This study undertook a comprehensive examination of the double perovskite complex Ba 2
FeWO 6, investigating its structural, electrical, magnetic, thermal and elastic characteristics …
FeWO 6, investigating its structural, electrical, magnetic, thermal and elastic characteristics …
Vacancy-ordered CsRbGeCl6 and CsRbGeBr6 perovskites as new promising non-toxic materials for photovoltaic applications: A DFT investigation
In this study, we have proposed novel vacancy-ordered double perovskites, CsRbGeCl 6
and CsRbGeBr 6, and conducted computational analyses to investigate their mechanical …
and CsRbGeBr 6, and conducted computational analyses to investigate their mechanical …
First-principles investigation of structural, electronic, optical and thermoelectric performance of stable inorganic double perovskites A2AlAgBr6 (A= K, Rb, Cs) for …
In this work, the structural, electronic, optical and thermoelectric properties of Cs 2 AlAgBr 6,
K 2 AlAgBr 6 and Rb 2 AlAgBr 6 have been investigated using WIEN2k code. All the three …
K 2 AlAgBr 6 and Rb 2 AlAgBr 6 have been investigated using WIEN2k code. All the three …