Progress in Natural Science: Materials International最新文献_第6页

High-resolution transmission electron microscopy imaging of graphene-encapsulated CH3NH3PbI3 solution 石墨烯包封CH3NH3PbI3溶液的高分辨率透射电镜成像

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-06-01 DOI: 10.1016/j.pnsc.2025.02.012

Fuchao Yan , Wenhao Lu , Chuang Xu , Feifan Liu , Shaoqing Chen , Fan Xia , Ruiwen Ping , Shuliang Lv , Jingyu Sun , Jincan Zhang

Organic−inorganic hybrid perovskites (OIHPs) have emerged as potential candidate materials for photovoltaic devices because of their superior optoelectronic properties. Nonetheless, real-time characterization of their formation and decomposition process inside the liquid phase with atomic-level resolution, which is vital to understand the synthesis mechanism and to further improve the device performance, has not been reported yet. In-situ liquid-phase transmission electron microscope (TEM) enables high-resolution real-time characterization. However, the imaging resolution is limited to a few nanometers by the relatively thick encapsulation layer (e.g., Si₃N_x) and its higher atomic number element. Herein, using high-intactness and high-cleanness suspended graphene membrane to seal liquid, organic solution of methylammonium lead iodide (MAPbI₃), the most representative OIHPs, has been successful encapsulated. The as-prepared graphene liquid cells exhibit high density and wide size distribution range (50–600 nm) via precise composition regulation of the solution to encapsulate both nanocrystals and thin films in the liquid. TEM imaging is conducted to visualize the synthesis and decomposition processes of organic-inorganic hybrid perovskites with high spatial (sub-nm) and temporal (sub-second) resolution, revealing the effect of nanocrystal size, bubbles and adjacent nanocrystals. This study not only provides a new routine to real-time observe OIHPs synthesis and decomposition process in liquid state, but also deepens the understanding of liquid reaction at atomic scale.

有机-无机杂化钙钛矿（OIHPs）由于其优越的光电性能而成为光伏器件的潜在候选材料。尽管如此，对于了解合成机理和进一步提高器件性能至关重要的液相内形成和分解过程的原子级分辨率实时表征尚未有报道。原位液相透射电子显微镜（TEM）可以实现高分辨率的实时表征。然而，由于相对较厚的封装层（如Si3Nx）及其原子序数较高的元素，成像分辨率限制在几纳米。本文采用高完整性、高清洁度悬浮石墨烯膜对液体进行密封，成功封装了最具代表性的碘化铅甲基铵（MAPbI3）有机溶液。制备的石墨烯液体电池通过精确调节溶液的成分，使纳米晶体和薄膜同时包裹在液体中，从而具有高密度和宽尺寸分布范围（50-600 nm）。利用TEM成像技术对有机-无机杂化钙钛矿的合成和分解过程进行了高空间（亚纳米）和时间（亚秒）分辨率的可视化，揭示了纳米晶体尺寸、气泡和邻近纳米晶体的影响。本研究不仅为实时观察液态oihp合成和分解过程提供了新的方法，而且加深了对原子尺度液态反应的认识。

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引用次数: 0

Structural engineering of clay minerals for heavy metal remediation: Molecular mechanisms, performance enhancement, and sustainable applications 黏土矿物修复重金属的结构工程：分子机制、性能增强和可持续应用

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-06-01 DOI: 10.1016/j.pnsc.2025.03.008

Xiaotong Yang, Yi Zhou, Yinhang Fan, Guocheng Lv, Libing Liao

The acceleration of global urbanization and industrial expansion has precipitated severe contamination of aquatic systems through toxic heavy metal discharges (Cr, As, Cd, Hg, Cu, Pb), creating substantial threats to ecological integrity and public health. Amidst diverse remediation strategies, adsorption emerges as a particularly promising solution due to its operational efficiency and cost-effectiveness, with adsorbent development constituting the primary technological hurdle. Naturally occurring clay minerals (kaolinite, montmorillonite, and palygorskite, etc.) have emerged as superior candidates for water purification applications, leveraging their inherent advantages of geological abundance, structural diversity, modifiable surface chemistry, and exceptional adsorption capabilities. This review systematically synthesizes recent years of scientific advancements in heavy metal sequestration using clay-based materials, with focused analysis on crystallographic properties, molecular-level adsorption mechanisms (electrostatic interaction, ion exchange, surface complexation, hydrogen bond), and critical operational parameters (pH, temperature, ionic strength). A dedicated evaluation of clay composites demonstrates remarkable performance enhancements through chemical modification (surfactant intercalation, functional group grafting) and nanoscale engineering, achieving significant capacity improvements compared to pristine counterparts. By establishing structure-function relationships and optimizing modification protocols, this analysis provides crucial guidance for developing next-generation clay adsorbents, charting a sustainable pathway for addressing anthropogenic pollution challenges through geologically-sourced remediation technologies.

全球城市化和工业扩张的加速导致有毒重金属（Cr、As、Cd、Hg、Cu、Pb）的排放对水生系统造成严重污染，对生态完整性和公众健康构成重大威胁。在多种修复策略中，吸附因其操作效率和成本效益而成为一种特别有前途的解决方案，而吸附剂的开发是主要的技术障碍。天然存在的粘土矿物（高岭石、蒙脱土和坡面石等）已成为水净化应用的优越候选者，利用其固有的地质丰度、结构多样性、可修饰的表面化学和卓越的吸附能力。本文系统地综述了近年来粘土基材料在重金属吸附方面的科学进展，重点分析了其晶体学性质、分子水平吸附机理（静电相互作用、离子交换、表面络合、氢键）和关键操作参数（pH、温度、离子强度）。一项专门的评估表明，通过化学改性（表面活性剂插入、官能团接枝）和纳米级工程，粘土复合材料的性能得到了显著提高，与原始材料相比，性能得到了显著提高。通过建立结构-功能关系和优化改性方案，该分析为开发下一代粘土吸附剂提供了重要指导，为通过地质来源的修复技术解决人为污染挑战绘制了一条可持续的途径。

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引用次数: 0

The impact of Cu content on crystallization kinetics and soft magnetic properties for ductility FePCCu amorphous alloy Cu含量对延展性FePCCu非晶合金结晶动力学及软磁性能的影响

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-06-01 DOI: 10.1016/j.pnsc.2025.03.005

Xiangxiang Jiang , Cong Liu , Hongzhi Luo , Jing Ding , Mingqing Zuo , Chen Yang , Xuefang Dai , Shengli Zhu , Guodong Liu

Effects of trace addition of Cu in ductility Fe_83−xP₁₁C₆Cu_x (x = 0.7–1 at. %) amorphous alloys on the crystallization kinetics, soft magnetic properties and hardness were investigated. With Cu content increasing, the Curie temperature (T_c) and initial crystallization onset temperature (T_x1) increase at first and then drop. The nucleation process becomes hard with the increasing of Cu content, and it is more difficult than growth process. The Fe_82.3P₁₁C₆Cu_0.7 amorphous ribbon demonstrates high saturation magnetization (B_s) of 1.63 T, low coercivity (H_c) of 5.2 A/m, and high initial permeability (μ_i) of 15,000, alongside Vickers hardness (H_v) exceeding 760 and excellent bending ductility. Annealing-induced [amorphous + α-Fe] phase in Fe_82.3P₁₁C₆Cu_0.7 has good soft magnetic properties, with B_s of 1.66 T, H_c of 9.7 A/m, μ_i of 16,000, and H_v over 1300. Notably, only nanocrystalline α-Fe phase precipitation is observed in its ribbon after annealing at T_x2-50 K (T_x2, second crystallization onset temperature). At the same time the sample has good flexibility. Fe-based amorphous/nanocrystalline alloys can be as promising option for commercial applications because of their remarkable soft magnetic properties, cost-effectiveness, and exceptional bending ductility.

微量Cu对Fe83−xP11C6Cux （x = 0.7-1 at）塑性的影响研究了非晶合金的结晶动力学、软磁性能和硬度。随着Cu含量的增加，居里温度（Tc）和初始结晶起始温度（Tx1）先升高后降低。随着Cu含量的增加，成核过程变硬，比长大过程更困难。Fe82.3P11C6Cu0.7非晶带具有1.63 T的高饱和磁化强度（Bs）、5.2 A/m的低矫顽力（Hc）、1.5万μi的高初始磁导率、超过760的维氏硬度（Hv）和优异的弯曲延展性。Fe82.3P11C6Cu0.7中退火诱导的[非晶+ α-Fe]相具有良好的软磁性能，其Bs为1.66 T， Hc为9.7 A/m， μi为16000，Hv大于1300。值得注意的是，在Tx2-50 K （Tx2，第二次结晶起始温度）退火后，其带状中只析出纳米晶α-Fe相。同时样品具有良好的柔韧性。铁基非晶/纳米晶合金由于其优异的软磁性能、成本效益和优异的弯曲延展性，可以作为商业应用的有前途的选择。

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引用次数: 0

A new multi-stage creep aging process for improving creep age formability and maintaining performance of Al-Li alloy 提出了一种提高铝锂合金蠕变时效成形性能和保持合金性能的多级蠕变时效新工艺

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-06-01 DOI: 10.1016/j.pnsc.2025.03.004

Fei Chen , Yanmei Yu , Yanan Jiang , Quanqing Zeng , Lihua Zhan

In response to the weak creep age formability of Al-Li alloy, the traditional single-stage creep ageing process cannot guarantee a balance between formability and performance. This work proposes a novel multi-stage creep aging process (MSCA), which obtains a better microstructure firstly at low temperature, then increases the temperature to obtain better formability, and finally compensates for the loss of strength caused by high temperature through the secondary precipitation strengthening at low temperature, achieving a good match between formability and performance. The MSCA can effectively increase creep strain without reducing strength and plasticity. By observing the internal microstructure of the material through various microscopic characterization methods, it was found that the first stage of MSCA needs to obtain a large amount of diffuse precipitates, so that it can suppress coarsening while obtaining a large creep strain in the second stage (high temperature) of MSCA; The selection of the second stage temperature should take into account the degree of dislocation recovery and precipitate re-solution, so that the strength of the third stage of MSCA can be improved by secondary precipitation strengthening; The third stage temperature should be lowered to avoid coarsening of precipitates and to ensure that the MSCA is still comparable to single-stage creep aging with a higher creep strain. This work has important implications for the refinement and development of creep aging.

针对铝锂合金蠕变时效成形性弱的特点，传统的单阶段蠕变时效工艺无法保证成形性与性能之间的平衡。本文提出了一种新型的多阶段蠕变时效工艺（MSCA），该工艺首先在低温下获得较好的组织，然后提高温度以获得较好的成形性，最后通过低温下的二次析出强化来补偿高温造成的强度损失，从而实现成形性与性能的良好匹配。MSCA能在不降低强度和塑性的情况下有效地增加蠕变应变。通过各种微观表征方法观察材料的内部微观结构，发现MSCA第一阶段需要获得大量的弥漫性析出相，这样才能在MSCA第二阶段（高温）获得较大蠕变应变的同时抑制粗化；第二阶段温度的选择应考虑位错恢复程度和析出相再溶解程度，使MSCA的第三阶段强度可以通过二次析出强化得到提高；应降低第三阶段温度，以避免析出相变粗，并确保MSCA在较高蠕变应变下仍可与单阶段蠕变时效相媲美。这项工作对改进和发展蠕变时效具有重要意义。

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引用次数: 0

Leveraging deep learning for accurate and automated interpretation of molecular IR and Raman spectra 利用深度学习对分子红外和拉曼光谱进行准确和自动的解释

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-06-01 DOI: 10.1016/j.pnsc.2025.02.014

Tianqing Hu , Yujin Zhang , Wei Hu

Evaluating molecular and material properties is a fundamental aspect of science with significant practical applications. While these properties can be inferred from spectra, traditional methods require meticulous calibration and rely heavily on the expertise and intuition of researchers. In this study, we evaluated four machine learning models — convolutional neural networks (CNN), multilayer perceptrons (MLP), Transformers, and gated recurrent units (GRU) — to predict key molecular properties, including the number of atoms, HOMO-LUMO gap, dipole moment, aromaticity, and first excitation energy. Using the QM9S dataset that includes IR and Raman spectra of 127468 molecules as a benchmark, we found that combining IR and Raman spectra consistently outperformed individual spectra in prediction accuracy. By incorporating data augmentation and model fusion, we further improved prediction accuracy by 2 %–7 % for all molecular properties. Finally, we proposed the best single or fused deep learning model to predict the number of atoms, HOMO-LUMO gap, dipole moment, aromaticity and first excitation energy with the accuracy of 99 %, 96 %, 83 %, 99 % and 97 %, respectively. The present work offers an automated and precise interpretation of IR and Raman spectra, enabling accurate predictions of several critical molecular properties.

评价分子和材料的性质是具有重要实际应用的科学的一个基本方面。虽然这些特性可以从光谱中推断出来，但传统的方法需要细致的校准，并且在很大程度上依赖于研究人员的专业知识和直觉。在这项研究中，我们评估了四种机器学习模型——卷积神经网络（CNN）、多层感知器（MLP）、变压器和门控循环单元（GRU）——来预测关键的分子性质，包括原子数、HOMO-LUMO间隙、偶极矩、芳香性和第一激发能。使用包含127468个分子的红外和拉曼光谱的QM9S数据集作为基准，我们发现红外和拉曼光谱结合在预测精度上始终优于单个光谱。通过结合数据增强和模型融合，我们进一步将所有分子性质的预测精度提高了2% - 7%。最后，我们提出了最佳的单一或融合深度学习模型来预测原子数、HOMO-LUMO间隙、偶极矩、芳香性和第一激发能，准确率分别为99%、96%、83%、99%和97%。目前的工作提供了红外和拉曼光谱的自动化和精确解释，能够准确预测几个关键的分子性质。

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引用次数: 0

An oxide precursor route for manufacturing nickel-rich NCM cathode materials through the flame synthesis approach 一种火焰合成法制备富镍NCM正极材料的氧化物前驱体路线

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-06-01 DOI: 10.1016/j.pnsc.2025.04.001

Junlei Wang, Jinyu Li, Shilong Li, Wen Du, Yunfei Xu, Kun Wang

During the current co-precipitation wet chemistry methods, the Ni-Co-Mn hydroxide precursor is initially prepared, which undergo high-temperature decomposition in calcination process, forming the corresponding Ni-Co-Mn oxides to mix with lithium salts, eventually leading to the synthesis of cathode materials, LiNi_xCo_yMn_1-x-yO₂ (NCM). The above hydroxide precursor route for the preparation of NCM cathode materials usually result in multiple unit operations, substantial liquid wastes, strong base contamination, and high resources consumption. The present study aims at proposing an alternative oxide precursor route for manufacturing NCM cathode materials through the flame synthesis (FS) approach, to alleviate the above issues of the usual wet chemistry methods. Specifically, based on a co-flow diffusion flame burner, the Ni-Co-Mn oxides was prepared by FS, and the as-synthesized oxide precursor, without any treatment, was then mixed with lithium carbonate (Li₂CO₃) to undergo calcination, leading to the successful preparation of the nickel-rich NCM811 cathode materials. Results show that the oxide precursor of NCM811, Ni_0.8Co_0.1Mn_0.1O_1.1, is composed of a primary NiO rock salt phase and secondary spinel-structured phases similar to NiCo₂O₄ and NiMn₂O₄, with rough surface, spherical structure, particle size of about 1.2 μm, and uniform distribution of the elements. The initial discharge specific capacity of the resulting NCM811 cathode materials achieve as high as 194.7 mAh/g, with capacity retention being 87.1 % after 100 cycles, which is superior to that of commercial samples or prepared by other methods as reported in literatures. Overall, the Ni-Co-Mn oxides precursor route through FS is compelling to the preparation of nickel-rich NCM cathode materials.

在目前的共沉淀法湿化学中，首先制备Ni-Co-Mn氢氧化物前驱体，在煅烧过程中进行高温分解，形成相应的Ni-Co-Mn氧化物与锂盐混合，最终合成正极材料LiNixCoyMn1-x-yO2 （NCM）。上述制备NCM正极材料的氢氧前驱体路线通常会导致多单元操作、大量的液体浪费、强碱污染和高资源消耗。本研究旨在通过火焰合成（FS）方法提出一种替代氧化前驱体制备NCM正极材料的方法，以缓解通常湿化学方法的上述问题。具体而言，基于共流扩散火焰燃烧器，采用FS法制备了Ni-Co-Mn氧化物，合成的氧化物前驱体未经任何处理，与碳酸锂（Li2CO3）混合煅烧，成功制备了富镍NCM811正极材料。结果表明：NCM811的氧化物前驱体Ni0.8Co0.1Mn0.1O1.1由初生NiO岩盐相和次生尖晶石结构相组成，与NiCo2O4和NiMn2O4相似，表面粗糙，结构呈球形，粒径约为1.2 μm，元素分布均匀；所制备的NCM811正极材料的初始放电比容量高达194.7 mAh/g， 100次循环后的容量保持率为87.1%，优于市面上的样品或文献报道的其他方法制备的材料。综上所述，Ni-Co-Mn氧化物前驱体途径是制备富镍NCM正极材料的重要途径。

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引用次数: 0

Addressing peri-implantitis and improving osteointegration: A study on the bioactive properties of a copper ion-releasing composite for implant materials 解决种植体周围炎和改善骨整合：一种铜离子释放复合种植材料的生物活性特性研究

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-06-01 DOI: 10.1016/j.pnsc.2025.02.015

Jingjing Su , Wei Zhao , Yifeng Xing , Yanjun Lin , Qingshi Wu , Xiaojie Xing , Yingzhen Lai , Zhiqiang Xu , Qianju Wu , Jiang Chen

Carbon fiber-reinforced polyether ether ketone (CFR-PEEK) has recently emerged as an innovative material for bone and tooth implants, although its bioinertness has limited its widespread clinical application. In this study, we fabricated a multifunctional composite (CP-S5-PDA-Cu) by incorporating copper ions into CFR-PEEK and leveraging the porous structure of the sulfonated surface and the ion-chelating effect of polydopamine (PDA), known for its antibacterial, osteogenic, and angiogenic properties. The surface characteristics of the implant were comprehensively investigated, as well as its in vitro and in vivo biological properties. Our results demonstrated that the coating on the material enhanced its hydrophilicity and allowed the sustained release of copper. This promoted the proliferation of rBMSCs and HUVECs on the sample's surface and facilitated their differentiation into osteogenic and angiogenic lineages. Furthermore, the composite material displayed potent bactericidal activity against P. gingivalis, a bacterium associated with periodontal disease. In vivo studies validated the material's excellent osteointegration effects. These findings provide an experimental basis for addressing peri-implantitis and related conditions and offer new possibilities for selecting implant materials.

碳纤维增强聚醚醚酮（CFR-PEEK）是近年来出现的一种用于骨和牙齿植入物的创新材料，尽管其生物惰性限制了其广泛的临床应用。在这项研究中，我们将铜离子掺入CFR-PEEK中，利用其磺化表面的多孔结构和聚多巴胺（PDA）的离子螯合作用，制备了一种多功能复合材料（CP-S5-PDA-Cu）。聚多巴胺（PDA）具有抗菌、成骨和血管生成的特性。全面研究了种植体的表面特征，以及其体外和体内生物学特性。我们的研究结果表明，涂层增强了材料的亲水性，并允许铜的持续释放。这促进了骨髓间充质干细胞和huvec在样品表面的增殖，并促进了它们向成骨和血管生成谱系的分化。此外，复合材料对牙龈卟啉卟啉菌（一种与牙周病相关的细菌）显示出有效的杀菌活性。体内研究证实了该材料良好的骨整合效果。这些发现为解决种植体周围炎及相关疾病提供了实验基础，并为种植体材料的选择提供了新的可能性。

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引用次数: 0

Synthesis and modification of g-C3N4 semiconductor catalysts for photocatalytic hydrogen evolution: A review 光催化析氢用g-C3N4半导体催化剂的合成与改性研究进展

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-06-01 DOI: 10.1016/j.pnsc.2025.03.007

Hongmei Chen , Zheng Fan , Zi-Chen Zhang , Junwen Guo , Chong-Chen Wang

Photocatalytic water decomposition with the participation of sunlight and semiconductor catalysts to obtain the production of hydrogen is considered to be the most promising strategy to supply green and clean energy. The photocatalysts with high activity as well as high stability are particularly important and urgent for efficient hydrogen production reaction. As a two-dimensional semiconductor material, graphite-like carbon nitride (g-C₃N₄) is diffusely used for photocatalyzing water decomposition reactions because of its excellent stability, appropriate band gap as well as suitable energy band structure. Within this paper, the preparation as well as strategies for modifying g-C₃N₄ photocatalysts and the application in the field of photocatalytic water decomposition are introduced detailedly from regulatory strategies such as structural design, element doping, co-catalyst modification and heterogeneous structure construction. Simultaneously, the mechanism of the modified g-C₃N₄ semiconductor materials using different strategies in improving photocatalytic hydrogen production performance is deeply analyzed. Finally, the potential and challenges of g-C₃N₄ semiconductor catalysts in the application of photocatalytic hydrogen production reaction are prospected.

在阳光和半导体催化剂的参与下，光催化水分解制氢被认为是最有前途的绿色清洁能源供应策略。具有高活性和高稳定性的光催化剂对于高效产氢反应尤为重要和迫切。类石墨氮化碳（g-C3N4）作为一种二维半导体材料，由于其优异的稳定性、合适的带隙以及合适的能带结构，被广泛用于光催化水分解反应。本文从结构设计、元素掺杂、共催化剂改性、异相结构构建等调控策略等方面详细介绍了g-C3N4光催化剂的制备、改性策略及其在光催化水分解领域中的应用。同时，深入分析了采用不同策略修饰的g-C3N4半导体材料提高光催化制氢性能的机理。最后，展望了g-C3N4半导体催化剂在光催化制氢反应中的应用潜力和挑战。

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引用次数: 0

Hybrid CsPbBr3@CP-1 composites with enhanced stability and dual-emitting for white LED and photoelectrical applications 混合CsPbBr3@CP-1复合材料具有增强的稳定性和双发射白光LED和光电应用

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-06-01 DOI: 10.1016/j.pnsc.2025.03.014

Hao Zhou , Qingxin Fan , Shaowen Zhu , Minjie Zhou , Jingyi Liu , Zhiqiang Li , Bing Jin , Xiandong Zhang , Min Liu , Yilin Wang

The halide perovskite CsPbBr₃ quantum dots (QDs) exhibit remarkable potential for diverse applications, attributed to their distinctive optical properties. However, their poor stability hinders practical implementation. In this study, we enhanced the stability of perovskite QDs by incorporating CsPbBr₃ QDs into a coordination polymer called CP-1. CP-1 features excellent photoluminescent properties thanks to its ligand trans,trans-9,10-bis(4-pyridylethenyl) anthracene (An2Py). The hybrid CsPbBr₃@CP-1 composites possess dual emissions: a narrow peak from CsPbBr₃ QDs and a broad band from CP-1. Due to the enhanced stability of CsPbBr₃ QDs, a white light-emitting diode (LED) was fabricated using CsPbBr₃@CP-1 composites. In addition, the hybrid composites shows promising photoelectrical characteristics. Therefore, this work presents a methodology enhancing the stability and optical characteristics of CsPbBr₃ QDs, thereby broadening the practical applications of optical QDs in white LEDs and optoelectronic devices.

卤化物钙钛矿CsPbBr3量子点（QDs）由于其独特的光学性质，在各种应用中表现出显着的潜力。然而，它们较差的稳定性阻碍了实际的实现。在这项研究中，我们通过将CsPbBr3量子点加入到一种称为CP-1的配位聚合物中来增强钙钛矿量子点的稳定性。CP-1的配体为反式，反式9,10-二（4-吡啶乙烯基）蒽（An2Py），具有优异的光致发光性能。混合CsPbBr3@CP-1复合材料具有双重发射：CsPbBr3量子点的窄峰和CP-1的宽带。由于CsPbBr3量子点的稳定性增强，采用CsPbBr3@CP-1复合材料制备了白光发光二极管（LED）。此外，复合材料还具有良好的光电特性。因此，本研究提出了一种提高CsPbBr3量子点稳定性和光学特性的方法，从而拓宽了光学量子点在白光led和光电子器件中的实际应用。

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引用次数: 0

Intelligent screening model for uranium alloy corrosion substitute alloys based on machine learning 基于机器学习的铀合金腐蚀替代合金智能筛选模型

IF 4.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-06-01 DOI: 10.1016/j.pnsc.2025.03.016

Wanying Zhang, Xiaoyuan Wang, Yibo Ai, Weidong Zhang

Uranium is a highly important metal material in the nuclear industry. However, uranium is highly susceptible to corrosion in environmental media such as oxygen, hydrogen, or humid air. The corrosion and corrosion protection of uranium materials have always been a focal point for nuclear material researchers. This study aims to investigate the oxidation kinetics of U-2.5NB alloy in order to explore a new type of surrogate alloy that can replace this uranium alloy in terms of oxidation properties. Firstly, the important features of uranium alloy oxidation reactions are determined, and image clustering and image similarity comparison are used to screen the available surrogate alloy database, resulting in the selection of nine alloys with similar properties. Subsequently, an LSTM neural network with PSO optimization is employed to generate surrogate alloys for U-2.5NB alloy by training the chemical element mass fractions of the surrogate alloys, for the evaluation of their oxidation properties. The final results show an 80 % similarity compared to the reference standard, indicating the feasibility of the method used.

铀是核工业中非常重要的金属材料。然而，铀在氧气、氢气或潮湿空气等环境介质中极易受到腐蚀。铀材料的腐蚀与防腐一直是核材料研究人员关注的焦点。本研究旨在研究铀-2.5 nb合金的氧化动力学，以探索一种新型的替代合金，以取代铀-2.5 nb合金的氧化性能。首先，确定铀合金氧化反应的重要特征，利用图像聚类和图像相似性比较筛选可用的替代合金数据库，最终选择出9种性能相近的合金。随后，采用基于粒子群优化的LSTM神经网络，通过训练替代合金的化学元素质量分数，生成U-2.5NB合金的替代合金，并对其氧化性能进行评价。最终结果与参考标准的相似度为80%，表明所采用方法的可行性。

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