Materials Science in Semiconductor Processing, Journal Year: 2024, Volume and Issue: 186, P. 109029 - 109029
Published: Oct. 23, 2024
Language: Английский
Materials Science in Semiconductor Processing, Journal Year: 2024, Volume and Issue: 186, P. 109029 - 109029
Published: Oct. 23, 2024
Language: Английский
Materials Science and Engineering B, Journal Year: 2024, Volume and Issue: 310, P. 117744 - 117744
Published: Oct. 3, 2024
Language: Английский
Citations
5Advanced Theory and Simulations, Journal Year: 2025, Volume and Issue: unknown
Published: April 15, 2025
Abstract Lead‐free halide perovskites have garnered a lot of interest in researchers because their pertinent properties. This paper examined the structural, phonon, mechanical, electronic, optical, photovoltaic, thermoelectric, and thermodynamic properties Ca 3 AsX (X = Br, I) using density functional theory calculations executed WIEN2k program. All compounds been shown to be thermodynamically dynamically stable after extensive investigation into phase stability. The stability is checked formation energy, dynamical phonon dispersion. These compounds' structural confirmed by examination elastic constant. Based on results, AsBr AsI all demonstrate semiconducting behavior, with corresponding bandgaps energies 2.45 1.94 eV respectively. Their bandgap significant optical absorption make them great options for photovoltaic optoelectronic applications. Enhanced utilization thermoelectric devices demonstrated figure merit, Seebeck coefficient, power factor PF, other characteristics. are advantageous solar industry due its external quantum efficiency short‐circuit current 13 20.66 mA.cm −2 effect temperature compound's entropy, free enthalpy, heat capacity investigated study. implies that may open up new avenues optoelectronic, system research.
Language: Английский
Citations
0Optics Communications, Journal Year: 2025, Volume and Issue: unknown, P. 131873 - 131873
Published: April 1, 2025
Language: Английский
Citations
0Computational Condensed Matter, Journal Year: 2025, Volume and Issue: unknown, P. e01002 - e01002
Published: Jan. 1, 2025
Language: Английский
Citations
0Chemical Physics Letters, Journal Year: 2025, Volume and Issue: 865, P. 141922 - 141922
Published: Jan. 31, 2025
Language: Английский
Citations
0Materials Science and Engineering B, Journal Year: 2024, Volume and Issue: 308, P. 117622 - 117622
Published: Aug. 5, 2024
Language: Английский
Citations
3RSC Advances, Journal Year: 2024, Volume and Issue: 14(49), P. 36675 - 36697
Published: Jan. 1, 2024
The study looks into how Sr 3 PBr and NCl double perovskite materials can be used as absorbers in solar cells (PSCs).
Language: Английский
Citations
3Inorganic Chemistry Communications, Journal Year: 2024, Volume and Issue: unknown, P. 113472 - 113472
Published: Nov. 1, 2024
Language: Английский
Citations
2Journal of Physics and Chemistry of Solids, Journal Year: 2024, Volume and Issue: unknown, P. 112498 - 112498
Published: Dec. 1, 2024
Language: Английский
Citations
2Optics & Laser Technology, Journal Year: 2024, Volume and Issue: 183, P. 112399 - 112399
Published: Dec. 31, 2024
Language: Английский
Citations
1