Effect of bandgap tunability on the physical attributes of potassium-based K2CuBiX6 (X = I, Br, Cl) double perovskites for green technologies

Inorganic Chemistry Communications, Journal Year: 2024, Volume and Issue: 162, P. 112206 - 112206

Published: Feb. 14, 2024

Language: Английский

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Tuning the thermoelectric and optoelectronic attributes of lead-free novel fluoroperovskites Cs2BB'F6 (B = Rb, In, Na and B'=Ir, As, Rh): A first-principles investigation

Journal of Physics and Chemistry of Solids, Journal Year: 2024, Volume and Issue: 190, P. 111934 - 111934

Published: Feb. 20, 2024

Language: Английский

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A comprehensive theoretical analysis of the physical attributes of cesium-based Cs2LiTlCl6 double perovskites for eco-friendly technologies

Physica B Condensed Matter, Journal Year: 2024, Volume and Issue: 677, P. 415729 - 415729

Published: Jan. 27, 2024

Language: Английский

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Unveiling the mechanical, structural, thermoelectric, and optoelectronic potential of K2NaGaBr6 and K2RbTlBr6 double perovskites for sustainable technologies

Solar Energy, Journal Year: 2024, Volume and Issue: 273, P. 112502 - 112502

Published: April 5, 2024

Language: Английский

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

Physica Scripta, Journal Year: 2024, Volume and Issue: 99(5), P. 055947 - 055947

Published: March 20, 2024

Abstract Halide perovskites are significant due to their versatility and high performance in optoelectronics green technologies. This paper thoroughly investigates the structural, elastic, optoelectronic transport characteristics of RbInX 3 (X = I, Br, Cl) using density functional theory (DFT) embedded Wein2K. Modified Becke Johnson as an exchange correlation potential is used evaluate physical characteristics. Structural stability achieved with tolerance factor octahedral tilting along optimization curves. A metallic character detected RbInI . However, replacement I Br Cl atoms results indirect band gap 0.9 eV 1.95 at (L-X) symmetry points, respectively. The elastic constants utilized determine parameters that ensure structural perovskites. Cauchy pressure Poisson’s ratio indicate ductile nature all studied phases. thermal behavior evaluated through computation Debye temperature. Furthermore, insight into material’s interaction electromagnetic radiation accessed optical parameters. absorption 1.49 for , 1.65 RbInBr 2.57 RbInCl show light emitting devices. semi-classical Boltzmann employed compute thermoelectric properties, which possess electrical conductivities 3.068 × 10 19 S m –1 1.88 1.76 1200 K, ZT value 0.74 0.73, while exhibit lowest 0.04 K. examined promising renewable energy applications.

Language: Английский

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The physical attributes of rubidium-based Rb2TlRhF6 double perovskite halide: A first-principles investigation

Physica B Condensed Matter, Journal Year: 2024, Volume and Issue: 685, P. 416000 - 416000

Published: April 22, 2024

Language: Английский

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Investigations of the Structural, Mechanical and Optoelectronic Attributes of Rb2TlB′I6 (B′ = As, Ga) Double Perovskites for Photovoltaics

Journal of Inorganic and Organometallic Polymers and Materials, Journal Year: 2024, Volume and Issue: 34(9), P. 3984 - 3994

Published: April 16, 2024

Language: Английский

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Ten Years of Perovskite Lasers

Advanced Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 19, 2025

Abstract Over the past decade, semiconducting halide perovskite lasers have emerged as a transformative platform in optoelectronics, owing to unique properties such high photoluminescence quantum yields, tunable bandgaps, and low‐cost fabrication processes. This review systematically examines advancements lasers, covering diverse laser architectures, whispering gallery mode, Fabry–Pérot, plasmonic, bound states continuum (BIC), dot, polariton lasers. The mechanisms of optical gain, role material engineering optimizing lasing performance, challenges associated with continuous‐wave (CW) pumping electrically driven are discussed. Furthermore, recent progress improving stability scalability essential for their integration into practical applications displays, communications, sensing, integrated photonics is highlighted. Finally, future research directions discussed, emphasizing potential revolutionize various technological domains by enabling development next‐generation photonic devices.

Language: Английский

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A precise prediction of structure stability and hydrogen storage capability of KCdH3 perovskite hydride using density functional theory calculations

Journal of Energy Storage, Journal Year: 2024, Volume and Issue: 100, P. 113734 - 113734

Published: Sept. 13, 2024

Language: Английский

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A Theoretical Insight into the Physical Characteristics of Double Perovskite Rb₂TlInBr₆ for Renewable Energy Applications

Crystal Research and Technology, Journal Year: 2024, Volume and Issue: 59(3)

Published: Feb. 26, 2024

Abstract Metal halide perovskites have gained prominence in optoelectronics recently, thanks to their unique optical and electrical properties, along with adaptable morphologies. The current work reports the electronic, structural, mechanical, optical, thermoelectric traits of Rb 2 TlInBr 6 for very first time. confirmation thermodynamic stability is evidenced by negative value formation energy, while structural established calculating values tolerance factor octahedral tilting. Elastic constants (C ij ) mechanical attributes are evaluated assess perovskites’ ability resist external strains. Electronic band structures computed GGA mBJ potentials depict a semiconducting nature containing indirect bandgap 1.8 2.42 eV, respectively. Optical characteristics ensure that it can be used effectively optoelectronic applications. An insight into characteristic assessed through BoltzTraP code. conductivity ZT reveal utilized green energy devices.

Language: Английский

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