DFT analysis of elastic and optoelectronic properties of Cs2NaXCl6 (X=In, La, Sc, Y) double perovskite compounds

Materials Chemistry and Physics, Год журнала: 2024, Номер 324, С. 129683 - 129683

Опубликована: Июль 9, 2024

Язык: Английский

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Efficient Near-Infrared Luminescence with Near-Unity Photoluminescence Quantum Yield in Erbium-Doped Double Perovskites Cs₂NaYCl₆ under Green Light Excitation

Chemistry of Materials, Год журнала: 2024, Номер 36(5), С. 2483 - 2494

Опубликована: Фев. 27, 2024

Lanthanide (Ln3+)-doped double perovskites to achieve near-infrared (NIR) emission have been demonstrated be an effective strategy. However, these emitters generally exhibit low efficiencies, which limits further applications. Herein, we synthesized Er3+-doped Cs2NaYCl6 via a hydrothermal reaction. Steady-state and transient fluorescence spectra show that there is pronounced cross-relaxation between neighboring Er3+, thus boosting the NIR with photoluminescence quantum efficiency (PLQE) of 93 ± 2% (NIR-II region ∼87%). Moreover, ferromagnetic coupling can enhance absorption intensity Er3+; thus, strongest witnessed direct excitation at 520 nm. The remarkable PLQE ideal wavelength make Cs2NaYCl6:Er3+ candidate for next generation light sources. In addition, Nd3+ Yb3+ were also doped in successfully, their respective values are 51 3% 30 2%, respectively. Particularly, Ln3+-doped 440 K maintain 103% (Er3+), 91% (Nd3+), 112% (Yb3+) initial 300 K. Their admirable properties enable us demonstrate application as-synthesized compounds night vision nondestructive testing. Therefore, our findings one most promising emitters.

Язык: Английский

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Multiwavelength Excitation in Ho³⁺-Doped All-Inorganic Double Perovskites Achieved by Codoping Mn²⁺ for Warm-White LEDs and Plant Growth

Inorganic Chemistry, Год журнала: 2024, Номер 63(9), С. 4438 - 4446

Опубликована: Фев. 20, 2024

Doping lanthanide ions is an efficient method to modify the optical properties of lead-free double-perovskite halides. However, most lanthanide-doped double perovskites show a low luminescence efficiency and require high excitation energy. Here, we have successfully prepared series Ho3+-doped Cs2NaBiCl6 microcrystals through simple hydrothermal obtained strong characteristic emissions Ho3+ at 492 657 nm under low-energy (449 nm). After codoping Mn2+, apart from 450 wavelength excitation, orangish-red consisting emission band centered 591 Mn2+ sharp peak 355 UV light excitation. Photoluminescence (PL) spectra, along with PL decay curves, confirm existence energy-transfer channel then Ho3+. The enhanced absorption (10.5 → 70.7%) suggests that overcomes caused by f–f forbidden transitions Finally, diverse luminescent performance within Cs2NaBiCl6:Ho3+, phosphor realized altering wavelength, thereby enabling its application in warm-white-light-emitting diodes plant growth this work.

Язык: Английский

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Heterostructured Lanthanide Perovskite Nanoparticles with High Quantum Yield and Water Stability for Optical Information Storage

Advanced Optical Materials, Год журнала: 2025, Номер unknown

Опубликована: Янв. 8, 2025

Abstract In this study, heterostructured nanoparticles based on lanthanide double perovskite halide are innovatively proposed, which dramatically improved quantum yield and color purity, but the problem of water stability materials has also been solved. The without surface ligands have excellent optical properties when dispersed in water, higher purity than those organic solvents. Besides, application potential is demonstrated practical performance verified by preparing luminescent ink. This study provides a new strategy for enhancement prospect perovskite.

Язык: Английский

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Efficient Emission of Lanthanide Ion in Double Perovskite Nanocrystals Enabled by Synergistic Effect of Energy Level Modulation and Crystal‐Field Engineering

Laser & Photonics Review, Год журнала: 2025, Номер unknown

Опубликована: Янв. 8, 2025

Abstract Trivalent lanthanide (Ln 3+ ) ions with ladderlike 4f energy levels, as dopants, can endow luminescent matrix more diverse optoelectronic properties, and a wider application. However, their intensity is usually limited by the parity forbidden transition rule level mismatch between host dopant. Herein, Ln doped Cs 2 Na 1‐x K x Y 0.97 Sb 0.03 Cl 6 nanocrystals (NCs) are prepared, photoluminescence quantum yields of all samples visible near‐infrared emissions have surprisingly reached over 50%, therein, value Tb 0.6 0.4 NCs dramatically up to 83.3%, which new breakthrough in field lead‐free perovskite NCs. From first principles calculations, crystal structure, spectroscopic analysis, this benefits from synergistic effect deformation levels provided doping environment distortion induced + doping. That is, localized causes splitting ions, resulting effective transfer efficiency simultaneously introducing opposite odd parity, breaking rule, promoting luminescence ions. This work will open route develop efficient materials.

Язык: Английский

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A DFT Analysis of Enhanced Structural, Mechanical, Elastic Tensor Analysis, Optical, Electronic, Thermoelectric and Magnetic Characteristics of X2ScHgCl6 (X=Cs, Rb)

Journal of Physics and Chemistry of Solids, Год журнала: 2025, Номер unknown, С. 112637 - 112637

Опубликована: Фев. 1, 2025

Язык: Английский

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Tunable multimode emissions of Yb3+/Er3+-doped rare-earth-based Cs2NaYCl6 double perovskite crystals for versatile applications

Chemical Engineering Journal, Год журнала: 2024, Номер 498, С. 155464 - 155464

Опубликована: Сен. 3, 2024

Язык: Английский

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Cation‐Doped Cs₂B^IB^IIIX₆ Double Perovskites: Electronic Structures, Optical Properties, and Optoelectronic Applications

Advanced Optical Materials, Год журнала: 2024, Номер 12(30)

Опубликована: Авг. 13, 2024

Abstract Recently, all‐inorganic halide double perovskites (DPs) with a chemical formula of Cs 2 B I III X 6 have been emerging as shinning star to be used in modern optoelectronic devices, due their unique advantages such environmentally friendly, high absorption coefficient, low trap densities, tunable bandgap, variable constituent elements and valences states through or sites engineering. In this review, first, the impact cation doping on electronic structure optical properties DPs are systematically overviewed, which cover several key issues including interconversion between direct indirect band gaps, enhancement light absorption, promotion exciton localization, elucidation energy transfer mechanisms, regulation defect density improvement both stability luminescence efficiency. Subsequently, state‐of‐the‐art research activities regarding interesting device applications discussed, light‐emitting diodes, anticounterfeiting encryption, X‐ray scintillators, thermometry. Finally, existing difficulties, prospects, directions field proposed.

Язык: Английский

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Sb3+/Sm3+ co-doped Cs2NaGdCl6 double perovskite: a promising candidate for the singel-component based WLED lighting with high qualtiy

Ceramics International, Год журнала: 2025, Номер unknown

Опубликована: Янв. 1, 2025

Язык: Английский

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Novel rare-earth doped Cs2NaGdCl6:Sb3+ double perovskite nanocrystals toward good ability of color tuning with high quantum efficiency

The Journal of Chemical Physics, Год журнала: 2025, Номер 162(16)

Опубликована: Апрель 22, 2025

All-inorganic halide double perovskites have attracted extensive attention as new luminescent materials owing to their high luminous efficiency and wide emission spectrum. In this work, blue-red bicolor Cs2NaGdCl6 (CNGC) perovskite nanocrystals doped with Sb3+/Ho3+ were prepared using a hydrothermal method. The incorporation of Sb3+ significantly enhanced the intrinsic “self-trapped excitons (STEs)” wide-band bright blue centered at 470 nm. On basis, different concentrations Ho3+ introduced achieve color tunable from red region, extremely quantum efficiencies 96.53% 92.17%, respectively. By use diverse methods, including spectroscopic analysis fluorescence lifetime, mechanism efficient luminescence related dopant was comprehensively explored. Results show that not only can enhance STEs CNGC but also has an activation effect on rare earth ion Ho3+, because it plays role bridge for two energy transfer channels between centers, details investigated. Thermal stabilities studied over temperature range 303–473 K good performances demonstrated fact PL intensities CNGC:1%Sb3+ CNGC:1%Sb3+/10%Ho3+ 423 75.1% 70.1% compared those 303 K, With CNGC:1%Sb3+/10Ho3+ used, UV light-emitting diode activated devices fabricated characterized. emissions suggest materials’ prominent potential in application plant lighting. Finally, white-light sole matrix, strategy tri-doping Tb3+ proposed based principle three primary colors. device fabrication CNGC:1%Sb3+/10%Ho3+/2.5%Tb3+ sample characterization processes prove its feasibility then provide valuable insights design Sb ion-doped lead-free toward easily which be applied various fields.

Язык: Английский

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