Journal of Luminescence最新文献_第6页

Organic-inorganic hybrid perovskite as a self-sacrificing template towards high-quality Cs4PbBr6 green emitters 有机-无机杂化钙钛矿作为自我牺牲模板制备高质量的Cs4PbBr6绿色发光体

IF 3.6 3区物理与天体物理 Q2 OPTICS

Journal of Luminescence

Pub Date : 2026-04-01 Epub Date: 2026-01-03 DOI: 10.1016/j.jlumin.2026.121734

Siyuan Fu , Hong Ming , Haorui Zhu , Kaiyu Huang , Hanqi Yao , Zhen Chen , Xiaofeng Liu , Huidan Zeng

Driven by the urgent need for narrow-band green emitters to address the color gamut deficiency in current white light-emitting diodes (WLEDs), in this work we develop a novel precursor-mediated strategy for the controlled synthesis of high-efficiency Cs₄PbBr₆ perovskite crystals. Unlike conventional methods that often yield mixed phases, we utilize a judiciously designed organic-inorganic hybrid perovskite crystal, (HDA)Cs₂Pb₃Br₁₀ (HDA = 1,6-hexanediamine), as a self-sacrificing template for the synthsis of high purity Cs₄PbBr₆ crystals. By precisely adjusting the solvent composition (HBr/DMF(N,N-Dimethylformamide) ratio) during the dissolution-recrystallization process, selective and controllable phase conversion of the hybrid perovskite to Cs₄PbBr₆ or CsPbBr₃ was achieved. Specifically, the resulting high-quality Cs₄PbBr₆ crystals exhibit a high photoluminescence quantum yield (PLQY) of up to 94 %. The phase transition mechanism systematically investigated through combined spectroscopic methods unravels that the transformation into all-inorganic perovskites benefits from the stripping of the HDA²⁺ organic interlayer by the DMF solvent, while the formation of high-quality Cs₄PbBr₆ crystals is attributed to the Pb-deficient environment provided by HBr and DMABr (Dimethylammonium bromide). Furthermore, a prototype WLED device fabricated with the obtained Cs₄PbBr₆ crystals and commercial K₂SiF₆:Mn⁴⁺ phosphor demonstrated a high luminous efficiency of 98.04 lm/W and an extensive color gamut covering 136 % of National Television System Committee (NTSC) and 101.6 % of Rec.2020 (derived from the photoluminescence spectra after passing RGB optical filters). These results highlight the potential of the Cs₄PbBr₆ crystals for application in advanced wide-color-gamut displays.

为解决当前白光二极管（wled）色域不足的迫切需要，我们开发了一种新的前驱体介导策略，用于控制合成高效的Cs4PbBr6钙钛矿晶体。不同于传统的方法通常会产生混合相，我们利用一种精心设计的有机-无机杂化钙钛矿晶体（HDA）Cs2Pb3Br10 （HDA = 1,6-己二胺）作为自我牺牲模板来合成高纯度的Cs4PbBr6晶体。通过在溶解-重结晶过程中精确调节溶剂组成（HBr/DMF（N，N-二甲基甲酰胺）比），实现了杂化钙钛矿向Cs4PbBr6或CsPbBr3的选择性可控相变。具体来说，得到的高质量Cs4PbBr6晶体具有高达94%的光致发光量子产率（PLQY）。通过组合光谱方法系统研究了钙钛矿的相变机理，揭示了钙钛矿向全无机钙钛矿的转变得益于DMF溶剂对HDA2+有机中间层的剥离，而高质量Cs4PbBr6晶体的形成归因于HBr和DMABr（二甲基溴化铵）提供的缺铅环境。此外，用获得的Cs4PbBr6晶体和商用K2SiF6:Mn4+荧光粉制作的WLED原型器件显示出98.04 lm/W的高发光效率和广泛的色域，覆盖了国家电视系统委员会（NTSC）的136%和Rec.2020的101.6%（通过RGB滤光片后的光致发光光谱）。这些结果突出了Cs4PbBr6晶体在先进的宽色域显示器中的应用潜力。

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引用次数: 0

Thermoluminescence properties of some aluminate based persistent luminescence phosphors 某些铝酸盐基持久性发光荧光粉的热致发光性能

IF 3.6 3区物理与天体物理 Q2 OPTICS

Journal of Luminescence

Pub Date : 2026-04-01 Epub Date: 2026-01-08 DOI: 10.1016/j.jlumin.2026.121735

Erdem Uzun , Zehra Özdemir , Esra Özturk

Thermoluminescence properties of aluminate based persistent luminescence phosphors such as Sr₃Al₂O₆:Eu³⁺,Ho³⁺, Sr_2.99Ba_0.01Al₂O₆:Eu³⁺,Ho³⁺, Sr_2.99Mg_0.01Al₂O₆:Eu³⁺,Ho³⁺, Ba₃Al₈O₁₅:Eu³⁺,Dy³⁺, Ca₃Al₈O₁₅:Eu³⁺,Dy³⁺, and Mg₃Al₈O₁₅:Eu³⁺,Dy³⁺ were investigated. Natural thermoluminescence emission, reusability, the effects of alpha-beta irradiation on the glow curve, and fading properties were analysed. Peak position, variable dose and glow curve fitting methods were applied to the phosphors and fundamental trapping parameters were calculated. Phosphors were irradiated up to the saturation dose level, and the concentrations of electron traps were measured experimentally. An energy-band configuration containing 7 active electron traps, corresponding to the 7 TL peaks observed experimentally, has been proposed to explain the theoretical TL glow curve in the materials. The phosphors show a natural thermoluminescence emission; however, this disappears following a heating treatment. The glow curves of the phosphors have seven distinct glow peaks and many low and high-temperature satellite maximums. It was observed that the individual TL peaks originate from the Eu-doped alumina, and Sr, Ba, Ca, Dy and Ho impurities did not change the individual peak temperatures of the matrix material or produce a new glow peak. However, the peak intensities are highly sensitive to the presence of dopants. It has been observed that alpha radiation affects relatively shallow electron traps more strongly, resulting in the TL glow peaks appearing at lower temperatures. The phosphors show both normal and abnormal fading characteristics during both short-term and long-term storage.

研究了Sr3Al2O6:Eu3+，Ho3+、Sr2.99Ba0.01Al2O6:Eu3+,Ho3+、Sr2.99Mg0.01Al2O6:Eu3+,Ho3+、Ba3Al8O15:Eu3+,Dy3+、Ca3Al8O15:Eu3+,Dy3+、Mg3Al8O15:Eu3+，Dy3+等铝酸盐基持久发光荧光粉的热致发光性能。分析了天然热释光发射、可重复使用性、α - β辐照对发光曲线的影响以及衰落特性。采用峰位拟合、变剂量拟合和辉光曲线拟合等方法对荧光粉进行拟合，并计算了基本捕获参数。将荧光粉照射至饱和剂量水平，并通过实验测量了电子阱的浓度。提出了一个包含7个活性电子陷阱的能带结构，对应于实验观察到的7个TL峰，来解释材料的理论TL发光曲线。荧光粉表现出天然的热释光发射；然而，这在加热处理后就消失了。荧光体的辉光曲线有7个明显的辉光峰和多个低、高温卫星峰值。观察到单个TL峰来源于eu掺杂的氧化铝，而Sr、Ba、Ca、Dy和Ho杂质并未改变基体材料的单个峰温度，也没有产生新的发光峰。然而，峰值强度对掺杂物的存在高度敏感。已经观察到，α辐射对相对较浅的电子阱的影响更强烈，导致在较低温度下出现TL发光峰。荧光粉在短期和长期储存过程中均表现出正常和异常的褪色特征。

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引用次数: 0

Revealing defects in Cu2O microstructures: Temperature-dependent photoluminescence insights from pH-tuned facet engineering Cu2O 揭示Cu2O微结构中的缺陷：来自ph调谐面工程Cu2O的温度依赖性光致发光见解

IF 3.6 3区物理与天体物理 Q2 OPTICS

Journal of Luminescence

Pub Date : 2026-04-01 Epub Date: 2026-01-07 DOI: 10.1016/j.jlumin.2026.121751

Mahmoud A. Khalifa , Mahmoud Abdelfatah , Mohamed A. Habib , Abdelhamid El-Shaer

Temperature-dependent photoluminescence (TDPL) provides powerful insight into the optical features of semiconductors. In this work, we investigate the impact of solution pH (9–13) on structural, morphological, and photoluminescence (PL) properties of Cu₂O micrograins, with a particular focus on how these PL changes are obvious at low temperatures (14 K–290 K). X-ray diffraction and scanning electron microscopy results reveal a pH-induced transition in preferred orientation from (200) to (111) facets, accompanied with morphological evolution from small to large micrograins. TDPL measurements uncover distinct recombination mechanisms; besides the near-band excitonic transitions of Cu₂O, two strong emission bands related to relaxed excitons at oxygen and copper vacancies are noticed. At 14 K, the pH 9 sample displays a broad PL emission centered at 748 nm, attributed to oxygen vacancies. In contrast, the pH 13 sample displays two distinct peaks at 680 nm and 849 nm, corresponding to oxygen and copper vacancies, respectively. These defect-related emissions are absent in the room-temperature PL spectra. Furthermore, the activation energies (E_a) of these vacancies, determined using the Arrhenius model, are 29.9 meV for oxygen vacancies in the pH 9 sample, and 19.2 meV (oxygen vacancies) and 39.4 meV (copper vacancies) for the pH 13 sample. These results of correlation thermal PL behavior with structural modulation highlight an effective strategy for tuning the defects in Cu₂O and underscore the value of TDPL in resolving emission pathways relevant to tunable optoelectronic applications.

温度依赖性光致发光（TDPL）提供了对半导体光学特性的强大洞察。在这项工作中，我们研究了溶液pH（9-13）对Cu2O微颗粒结构、形态和光致发光（PL）性质的影响，特别关注了这些PL变化在低温（14 K - 290 K）下是如何明显的。x射线衍射和扫描电镜结果显示，ph诱导的择优取向从（200）到（111）面的转变，伴随着微观晶粒从小到大的形态演变。TDPL测量揭示了不同的重组机制；除了Cu2O的近带激子跃迁外，还发现了与氧和铜空位弛豫激子有关的两个强发射带。在14k时，pH为9的样品显示出以748nm为中心的宽PL发射，这是由于氧空位造成的。相比之下，pH 13样品在680 nm和849 nm处有两个明显的峰，分别对应于氧和铜的空位。这些缺陷相关的发射在室温PL光谱中不存在。此外，利用Arrhenius模型测定了这些空位的活化能（Ea）， pH为9的氧空位为29.9 meV， pH为13的氧空位为19.2 meV，铜空位为39.4 meV。这些与结构调制相关的热PL行为的结果突出了调整Cu2O缺陷的有效策略，并强调了TDPL在解决与可调谐光电应用相关的发射路径方面的价值。

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引用次数: 0

583 nm laser using Dy-doped silica fibre: Study of fibre fabrication, absorption and emission spectra, yellow laser, photodarkening and related spectral changes 583 nm掺镝二氧化硅光纤激光器：光纤制备、吸收和发射光谱、黄色激光、光变暗及相关光谱变化的研究

IF 3.6 3区物理与天体物理 Q2 OPTICS

Journal of Luminescence

Pub Date : 2026-04-01 Epub Date: 2025-12-31 DOI: 10.1016/j.jlumin.2025.121733

Arindam Halder

We present a cladding-pumped (at 445 nm) Dysprosium (Dy)-doped germano-alumino-silicate fibre (DGAF) laser operating at 583 nm, producing 148 mW of output power with 3.24 % slope efficiency. The DGAFs with 125 μm cladding, 8–10 μm core, and ∼0.13 NA were fabricated in-house using modified chemical vapour deposition process with solution doping technique (MCVD-SD). The fabrication steps, Dy³⁺ absorption and emission spectra, emission lime times; laser cavity design, laser performances, and photodarkening effect (PD) for DGAFs were discussed. The impact of PD on the 583 nm laser output, laser threshold and efficiency were studied. The influence of different glass modifiers like as magnesium (Mg), yttrium (Y), cerium (Ce), on the PD behavior of the 583 nm laser in DGAFs was investigated. A significant change in background attenuation at 630 nm was observed between pristine and post-PD conditions, ranging from below 50 dB/km to above 100 dB/km. This change was attributed to PD which is believed to be the primary factor affecting the generation a good-quality yellow laser using Dy doped silica fibre. This research will be beneficial for the development of future yellow lasers using Dy-doped silica fibre.

我们提出了一种包层泵浦（445 nm）掺镝（Dy）的锗铝硅酸纤维（DGAF）激光器，其工作波长为583 nm，输出功率为148 mW，斜率效率为3.24%。采用改进的化学气相沉积工艺和溶液掺杂技术（MCVD-SD）制备了包层厚度为125 μm、芯层厚度为8-10 μm、NA为0.13的DGAFs。制备步骤，Dy3+吸收和发射光谱，发射石灰次数；讨论了DGAFs的激光腔设计、激光性能和光变暗效应。研究了PD对583nm激光输出、激光阈值和效率的影响。研究了镁（Mg）、钇(Y)、铈（Ce）等不同玻璃改性剂对583nm激光在DGAFs中PD行为的影响。在原始和pd后条件下，在630 nm处观察到显著的背景衰减变化，范围从低于50 dB/km到高于100 dB/km。这种变化归因于PD， PD被认为是影响使用Dy掺杂硅纤维产生高质量黄色激光器的主要因素。这一研究成果将有助于未来掺镝硅纤维黄色激光器的发展。

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引用次数: 0

Twist-controlled electronic conjugation in pyrazoloquinoline dyes: Photostable blue emitters with near-unity fluorescence quantum yields 吡唑喹啉染料中的扭控电子偶联：具有接近统一荧光量子产率的光稳定蓝色发射体

IF 3.6 3区物理与天体物理 Q2 OPTICS

Journal of Luminescence

Pub Date : 2026-04-01 Epub Date: 2026-01-05 DOI: 10.1016/j.jlumin.2026.121747

Tomasz Uchacz , Paweł Szlachcic , Marcin Andrzejak , Joanna Zams , Piotr Wieczorek , Przemysław Kolek , Katarzyna Stadnicka , Andrzej Danel , Arkadiusz Gut

The design of highly fluorescent chromophores has gained notable interest in recent years. In this work, we synthesized two new dyes based on the 1H-pyrazolo[3,4-b]quinoline scaffold, each bearing a sterically twisted phenyl group at the 1-position of the pyrazole ring. By varying the number of methyl substituents on the phenyl ring (1-(2-methylphenyl) and 1-(2,6-dimethylphenyl)), we were able to tune the torsional angle between the phenyl group and the heterocyclic core. This structural control enabled modulation of key photophysical properties, including fluorescence quantum yield, fluorescence lifetime, emission color, and solvatochromism. The reference compound lacking steric hindrance (1-phenyl-pyrazoloquinoline) displayed polarity-dependent blue-green fluorescence, long fluorescence lifetimes (up to 31 ns), and a large excited-state dipole moment (11.4 D). Increasing steric congestion forced the phenyl ring toward a nearly perpendicular orientation (DFT-predicted torsion ∼80°), reducing electronic coupling with the pyrazole core. This electronic decoupling resulted in highly efficient fluorescence, with quantum yields reaching 100 % and lifetimes of ∼14 ns. Consequently, the emission in polar solvents could be systematically tuned from blue-green to deep blue depending on the number of methyl substituents. The dyes exhibited excellent photostability, with only 1.5 % degradation after 6 h of irradiation at 350 nm, as well as high thermal stability and no tendency to aggregate. Furthermore, the investigated compounds maintained near-unity fluorescence quantum yields even when incorporated into a polymer matrix. These features suggest strong potential for optical applications, particularly as fluorescence quantum yield standards. The experimental observations were supported by quantum-chemical calculations, X-ray crystallography, and cyclic voltammetry measurements.

近年来，高荧光发色团的设计引起了人们的极大兴趣。在这项工作中，我们基于1h -吡唑啉[3,4-b]喹啉支架合成了两种新的染料，每种染料在吡唑环的1位上都有一个立体扭曲的苯基。通过改变苯基环上的甲基取代基（1-（2-甲基苯基）和1-（2,6-二甲基苯基））的数量，我们能够调整苯基和杂环核心之间的扭角。这种结构控制可以调节关键的光物理性质，包括荧光量子产率、荧光寿命、发射颜色和溶剂变色。缺乏位阻的参比化合物（1-苯基吡唑喹啉）显示出极性依赖的蓝绿色荧光，荧光寿命长（高达31 ns），激发态偶极矩大（11.4 D）。空间拥塞的增加迫使苯基环朝向几乎垂直的方向（dft预测的扭转~ 80°），减少了与吡唑核心的电子耦合。这种电子去耦导致了高效荧光，量子产率达到100%，寿命为~ 14 ns。因此，极性溶剂中的发射可以根据甲基取代基的数量系统地从蓝绿色调谐到深蓝色。该染料表现出优异的光稳定性，在350 nm照射6 h后降解率仅为1.5%，具有较高的热稳定性和无聚集倾向。此外，所研究的化合物保持接近统一的荧光量子产率，即使合并到聚合物基质中。这些特征表明光学应用的巨大潜力，特别是作为荧光量子产率标准。实验观察得到了量子化学计算、x射线晶体学和循环伏安法测量的支持。

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引用次数: 0

Photo- and X-ray excited luminescence, thermoluminescence and scintillation characteristics of LuGd2Al3Ga2O12:Ce,Mo single crystal scintillators: Influence of Mo co-doping LuGd2Al3Ga2O12:Ce，Mo单晶闪烁体的光激发发光、热发光和闪烁特性：Mo共掺杂的影响

IF 3.6 3区物理与天体物理 Q2 OPTICS

Journal of Luminescence

Pub Date : 2026-04-01 Epub Date: 2026-01-03 DOI: 10.1016/j.jlumin.2026.121737

Warut Chewpraditkul , Nakarin Pattanaboonmee , Weerapong Chewpraditkul , Ongsa Sakthong , Masao Yoshino , Takahiko Horiai , Shunsuke Kurosawa , Kei Kamada , Romana Kucerkova , Alena Beitlerova , Tingsong Li , Yanbin Wang , Chen Hu , Jiang Li , Vlademir Babin , Martin Nikl , Akira Yoshikawa

Mo co-doped LuGd₂Al₃Ga₂O₁₂:Ce,Mo (Mo = 0, 300, 600 ppm) single crystals were grown by the micro-pulling-down method. The optical absorption and X-ray excited luminescence spectra, temperature dependence of photoluminescence decay kinetics, afterglow and thermoluminescence (TL) intensity, and scintillation properties (light yield, LY, and decay time) were investigated. The quenching temperature of 355 K was determined from temperature-dependent photoluminescence decay kinetics in the temperature range of 77–487 K under excitation in the 4f - 5d₁ absorption band of the Ce³⁺ ions. Under excitation of 662 keV γ rays, the LuGd₂Al₃Ga₂O₁₂:Ce,Mo600 sample showed high LY value of 32,900 photons/MeV, energy resolution of 7.6 %, and scintillation decay time of 119 ns (38 %) + 475 ns (62 %). The lower LY value together with higher contribution of slower scintillation decay component among the samples studied was observed for LuGd₂Al₃Ga₂O₁₂:Ce,Mo300 sample, consistently with its higher afterglow intensity and longer de-trapping time of the dominant TL glow peak at 356 K.

采用微拉下法制备了Mo共掺杂LuGd2Al3Ga2O12:Ce，Mo （Mo = 0,300, 600 ppm）单晶。研究了光吸收和x射线激发发光光谱、光致发光衰变动力学、余辉和热致发光（TL）强度以及闪烁特性（产光量、LY和衰变时间）的温度依赖性。在Ce3+离子的4f - 5d1吸收带激发下，在77 ~ 487 K的温度范围内，根据温度依赖的光致发光衰变动力学确定了355 K的猝灭温度。在662 keV γ射线激发下，LuGd2Al3Ga2O12:Ce，Mo600样品的LY值高达32900光子/MeV，能量分辨率为7.6%，闪烁衰减时间为119 ns (38%) + 475 ns（62%）。LuGd2Al3Ga2O12:Ce，Mo300样品具有较低的LY值和较慢的闪烁衰减分量的较高贡献，且在356k时具有较高的余辉强度和较长的脱捕获时间。

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引用次数: 0

Optical-based sensors for monitoring of brain chemistry biomarkers 用于监测脑化学生物标志物的光学传感器

IF 3.6 3区物理与天体物理 Q2 OPTICS

Journal of Luminescence

Pub Date : 2026-04-01 Epub Date: 2025-12-30 DOI: 10.1016/j.jlumin.2025.121731

Chou-Yi Hsu , Ghaleb A. Oriquat , Rekha M M , Subhashree Ray , Jayshree Nellore , Vimal Arora , Ibrahim K. Alsulami , Zaid H. Mahmoud

Brain chemistry, also known as neurochemistry, refers to the study of the chemical substances and processes within the nervous system, particularly the brain, that influence its function and behavior. These chemicals, including neurotransmitters (NTs) and neuromodulators, play a vital role in communication between neurons and ultimately control everything from movement and thought to emotions and bodily functions. Understanding the specific functions of chemical messengers in brain communication requires highly precise tools capable of measuring the concentration and release patterns of neurotransmitters and neuromodulators. Optical (bio)sensors are emerging as powerful tools for monitoring brain chemistry with high spatial and temporal resolution, offering unprecedented insights into brain function and disease. Here we present a comprehensive review of nano optical biosensors that can be helpful for brain neurochemical monitoring through sensitive detection of NTs and neuromodulators.

脑化学，也被称为神经化学，是指研究神经系统，特别是大脑中影响其功能和行为的化学物质和过程。这些化学物质，包括神经递质（nt）和神经调节剂，在神经元之间的交流中起着至关重要的作用，并最终控制从运动、思想到情绪和身体功能的一切。理解化学信使在大脑交流中的特定功能需要高度精确的工具，能够测量神经递质和神经调节剂的浓度和释放模式。光学（生物）传感器正在成为监测大脑化学的强大工具，具有高空间和时间分辨率，为大脑功能和疾病提供前所未有的见解。在这里，我们介绍了纳米光学生物传感器，可以帮助脑神经化学监测，通过灵敏的检测NTs和神经调节剂。

引用次数: 0

Imidazole-based organic room-temperature phosphorescent materials with efficient emission at trace doping for information encryption 咪唑基室温磷光材料在痕量掺杂下高效发射

IF 3.6 3区物理与天体物理 Q2 OPTICS

Journal of Luminescence

Pub Date : 2026-03-01 Epub Date: 2025-12-18 DOI: 10.1016/j.jlumin.2025.121705

Guangkuan Zhu , Fengxian Liang , He Zhao , Shu Han , Qiping Feng , Yuehui Liu , Mengmeng Zhang , Xueming Li

Organic room temperature phosphorescent (RTP) materials have attracted extensive attention in the fields of anti-counterfeiting, optical display and biological imaging due to their unique optical properties. The benzimidazole group can effectively enhance the intersystem crossing efficiency and become the key framework for the development of efficient organic room temperature phosphorescent materials. In this study, a doping system with N-methyl-4-bromobenzamide (BMB) as the host and a polysubstituted benzimidazole derivative (PBM-R) as the guest was constructed, which had a phosphorescence lifetime of up to 433 ms and a phosphorescence quantum yield of up to 48 %. Importantly, the BMB host acts as an energy-transfer mediator, enabling the efficient generation of triplet excitons in the guest molecules through host-to-guest triplet-triplet energy transfer (TTET). Notably, significant phosphorescence emission was retained even at low guest-doping concentrations, with host-to-guest mass ratios up to 10,000:1. These materials have been successfully applied to the information storage and encryption system, which provides a new idea for the development of efficient RTP materials.

有机室温磷光材料以其独特的光学特性在防伪、光学显示和生物成像等领域受到广泛关注。苯并咪唑基团能有效提高体系间的交叉效率，成为开发高效有机室温磷光材料的关键框架。本研究构建了以n -甲基-4-溴苯甲酰胺（BMB）为主体，多取代苯并咪唑衍生物（PBM-R）为客体的掺杂体系，其磷光寿命可达433 ms，磷光量子产率可达48%。重要的是，BMB宿主作为一种能量传递介质，能够通过宿主到客体的三重态能量传递（TTET）在客体分子中有效地产生三重态激子。值得注意的是，即使在低客体掺杂浓度下，主客体质量比高达10,000:1时，也保持了显著的磷光发射。这些材料已成功应用于信息存储和加密系统中，为开发高效的RTP材料提供了新的思路。

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引用次数: 0

High-throughput screening of violet-light-excitable phosphors driven by graph neural network 基于图神经网络的紫外光可激发荧光粉高通量筛选

IF 3.6 3区物理与天体物理 Q2 OPTICS

Journal of Luminescence

Pub Date : 2026-03-01 Epub Date: 2025-12-15 DOI: 10.1016/j.jlumin.2025.121702

Zichun Zhou, Chen Ming, Yi-Yang Sun

The development of novel violet-light-excitable phosphors for next-generation white light-emitting diodes (WLEDs) is often limited by the high computational cost of lanthanide excited-state calculations and the low efficiency of traditional discovery methods. Here, we introduce a data-driven framework based on graph neural networks (GNNs) to accelerate this discovery process. By integrating large language models with data-mining techniques, we constructed a comprehensive database of 822 experimentally verified phosphors (455 Eu²⁺ doped and 367 Ce³⁺ doped). A systematic benchmark of three GNN architectures (CGCNN, MEGNet, and GATGNN) revealed that the GATGNN model exhibited optimal performance for the Eu²⁺ system, achieving a mean absolute error (MAE) of 0.18 eV in emission energy prediction and an area under the ROC curve (AUC) of 0.85 for classifying violet-light-excitable materials. Leveraging this model, we performed a high-throughput screening of 12,558 candidates, resulting in the prediction of 68 novel violet-light-excitable phosphors. This work not only provides an efficient tool to address the blue-light hazard and color-rendering bottlenecks in current WLEDs, but also showcases the power of AI-driven paradigms in accelerating the discovery of functional materials.

用于新一代白光发光二极管（wled）的新型紫光可激发荧光粉的开发经常受到镧系激发态计算成本高和传统发现方法效率低的限制。在这里，我们引入了一个基于图神经网络（gnn）的数据驱动框架来加速这一发现过程。通过将大型语言模型与数据挖掘技术相结合，我们构建了一个由822个实验验证的荧光粉（455个掺杂Eu2+， 367个掺杂Ce3+）组成的综合数据库。对三种GNN架构（CGCNN、MEGNet和GATGNN）的系统基准测试表明，GATGNN模型在Eu2+体系中表现出最佳性能，发射能量预测的平均绝对误差（MAE）为0.18 eV，对紫外光可激发材料分类的ROC曲线下面积（AUC）为0.85。利用该模型，我们对12558个候选物质进行了高通量筛选，从而预测出68种新的紫外光可激发荧光粉。这项工作不仅为解决当前wled的蓝光危害和显色瓶颈提供了有效的工具，而且还展示了人工智能驱动范式在加速发现功能材料方面的力量。

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引用次数: 0

Bi2Mo2O9:Nd3+/Yb3+, new efficient phosphors with NIR emission 新型近红外高效荧光粉Bi2Mo2O9:Nd3+/Yb3+

IF 3.6 3区物理与天体物理 Q2 OPTICS

Journal of Luminescence

Pub Date : 2026-03-01 Epub Date: 2025-12-22 DOI: 10.1016/j.jlumin.2025.121720

Priya V. Tumram

Hitherto unexplored, new phosphors with Bi₂Mo₂O₉ as a host and Nd³⁺/Yb³⁺ as activators are reported. Strong near infrared (NIR) emission in the region of about 1000 nm is obtained from the f-f transitions. These NIR emissions are host sensitized. Apart from the near ultraviolet (nUV) excitation, Nd³⁺ emission can be excited by wavelengths in the visible and NIR region. The sharp lines in the excitation spectra which are distributed over a broad spectral region can be assigned to f-f transitions. It is suggested that these phosphors with NIR emission and nUV-visible excitation can be used for enhancing performance of solar photovoltaic devices, solar pumped lasers, etc.

报道了以Bi2Mo2O9为寄主，Nd3+/Yb3+为活化剂的新型荧光粉。从f-f跃迁中获得了约1000 nm区域的强近红外发射。这些近红外辐射是宿主敏化的。除了近紫外（nUV）激发外，Nd3+的发射还可以被可见光和近红外区的波长激发。激发光谱中分布在宽光谱区域的锐线可以被指定为f-f跃迁。这些具有近红外发射和紫外可见激发的荧光粉可用于提高太阳能光伏器件、太阳能泵浦激光器等的性能。

引用次数: 0