Modeling and simulation of multifaceted properties of X2NaIO6 (X = Ca and Sr) double perovskite oxides for advanced technological applications
JK Bairwa, M Rani, PK Kamlesh, R Singh… - Journal of Molecular …, 2023 - Springer
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 …
First-principles study on the optoelectronic and mechanical properties of lead-free semiconductor silicon perovskites ASiBr3 (A= K, Rb, Cs)
D Abdullah, DC Gupta - ECS Journal of Solid State Science and …, 2024 - iopscience.iop.org
We deployed density functional theory to assess the structural, electronic, elastic, and optical
properties of ASiBr 3 (A= K, Rb, and Cs). KSiBr 3, RbSiBr 3, and CsSiBr 3 band structure …
properties of ASiBr 3 (A= K, Rb, and Cs). KSiBr 3, RbSiBr 3, and CsSiBr 3 band structure …
Insights into Ag2Mo3SeO12 for photovoltaic and optoelectronic applications: a theoretical exploration of its structural, electronic, and thermoelectric behavior
The theoretical investigation of the newly discovered quadruple perovskite Ag₂Mo₃SeO
₁₂ was conducted using density functional theory (DFT) with the generalized gradient …
₁₂ was conducted using density functional theory (DFT) with the generalized gradient …
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 …
Unveiling the potential of GaPbI3 perovskite: structural, mechanical, and optoelectronic insights for next-generation solar cells
This study aims to design and analyze GaPbI 3-based perovskite solar cells with different
efficacious buffer layers using DFT calculations and SCAPS-1D simulations. Initially, DFT …
efficacious buffer layers using DFT calculations and SCAPS-1D simulations. Initially, DFT …
A Review of Thermoelectric Generators in Automobile Waste Heat Recovery Systems for Improving Energy Utilization
S Bhakta, B Kundu - Energies, 2024 - mdpi.com
With the progress of modern times, automobile technology has become integral to human
society. At the same time, the need for energy has also grown. In parallel, the total amount of …
society. At the same time, the need for energy has also grown. In parallel, the total amount of …
A new candidate for optoelectronic device applications: CoTiX (X: P, As, Sb) half-heusler compounds
Some theoretical calculations of CoTiX (X: P, As, Sb) Half-Heusler (HH) compounds in
MgAgAs-type structure have been analyzed using density functional theory (DFT). These …
MgAgAs-type structure have been analyzed using density functional theory (DFT). These …
Physical characteristics of Cs2XTlCl6 (X= Sc, Y) double perovskites for energy harvesting applications
To compute the structural, electronic, optical, elastic, and thermoelectric (TE) characteristics
of Cs 2 ScTlCl 6 and Cs 2 YTlCl 6 halide double perovskites, the first principles method is …
of Cs 2 ScTlCl 6 and Cs 2 YTlCl 6 halide double perovskites, the first principles method is …
Study of electronic, mechanical, thermoelectric, and optical aspects of K2AlAg (Br/I) 6 for solar cells, and energy storage applications
Double perovskite materials exhibit considerable potential in addressing global energy
challenges and advancing renewable energy technologies. This study focuses on K 2 AlAg …
challenges and advancing renewable energy technologies. This study focuses on K 2 AlAg …