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RECIPIENTS OF THE 2024 ACTA MATERIALIA, INC. STUDENT AWARDS 2024年材料学报的接受者,inc。学生奖
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-01 DOI: 10.1016/j.mtla.2025.102600
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引用次数: 0
Acta Materialia Gold Medal 2026 《材料学报》第2026期
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-01 DOI: 10.1016/j.mtla.2025.102568
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引用次数: 0
Direct aging hardening and deformation resistant of additively manufactured 17-6 precipitation-hardened stainless steel: Microstructural evolution and precipitation mechanism 增材制造17-6析出硬化不锈钢的直接时效硬化及抗变形性能:显微组织演变及析出机理
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-24 DOI: 10.1016/j.mtla.2025.102616
Zhao-Sheng Wu, Kai-Chieh Chang, Fei-Yi Hung
This study investigates 17–6 stainless steel processed by Laser Powder Bed Fusion (LPBF), focusing on the microstructure and mechanical properties following direct aging heat treatment. The applicability of horizontal (X) and vertical (Z) build directions was evaluated. Experimental results revealed that the as-printed lath martensitic structure was retained after direct aging, with precipitation hardening contributing to improved tensile properties. The horizontally printed specimens exhibited fewer melting pool defects, which prevent mechanical degradation. Consequently, subsequent analyses focused on the superior-performing horizontal builds. Electron backscatter diffraction (EBSD) phase composition and local strain distribution analyses revealed high body-centered cubic (BCC) phase fractions (∼ 98 %) and sustained ductility due to dislocation recovery. Thermal cycling tests further demonstrated that the mechanical properties and phase composition of the post-cycled material were maintained, suggesting excellent potential for high-temperature and high-strength applications. For strength-critical applications, an aging condition of 495 °C for 3.0 h leads to an ultimate tensile strength (UTS) of 1413 MPa and an elongation (EL) of 19.1 %. For applications requiring improved toughness, direct aging at 560 °C for 3.0 hours results in a toughness of 51 J with an EL of 20.9 %. Unlike commercial 17–4 and 17–7 stainless steels, 17–6 stainless steel does not require solution treatment to reduce the retained austenite. Direct aging enables the use of thin-walled components, minimizing deformation while providing substantial strengthening and achieving energy savings.
采用激光粉末床熔合(LPBF)工艺对17-6不锈钢进行了热处理,重点研究了直接时效热处理后的组织和力学性能。评估了水平(X)和垂直(Z)建造方向的适用性。实验结果表明,直接时效后,板条马氏体组织仍保持不变,析出硬化有助于提高拉伸性能。水平打印的试样具有较少的熔池缺陷,防止了机械退化。因此,随后的分析集中在性能优越的水平构建上。电子背散射衍射(EBSD)相组成和局部应变分布分析显示,高体心立方(BCC)相分数(~ 98%)和由于位错恢复而持续的延展性。热循环测试进一步表明,循环后材料的力学性能和相组成保持不变,表明其具有良好的高温和高强度应用潜力。对于强度临界应用,在495℃、3.0 h的时效条件下,拉伸强度(UTS)达到1413 MPa,伸长率(EL)达到19.1%。对于需要提高韧性的应用,直接在560°C下时效3.0小时,韧性为51 J, EL为20.9%。与商业17-4和17-7不锈钢不同,17-6不锈钢不需要固溶处理来减少残留的奥氏体。直接老化使薄壁组件的使用,最大限度地减少变形,同时提供实质性的加强和实现节能。
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引用次数: 0
Effect of alternating magnetic field on intermetallic evolution and mechanical properties of Al/Fe laser welds 交变磁场对Al/Fe激光焊缝金属间演化及力学性能的影响
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-19 DOI: 10.1016/j.mtla.2025.102611
Honglin Mu , Zengrong Hu , Zhenxing Li , Xiaonan Wang , Shuncun Luo , Meng Cao , Hiromi Nagaumi
The rapid formation of brittle intermetallic compounds at the steel-aluminum interface during laser welding severely deteriorates the mechanical properties of the joint. This study investigates the effects of alternating magnetic field assistance on the laser welding of a 1.5 mm thick Al-Si coated 22MnB5 steel and a 2 mm thick 6061 T6 aluminum plate. Results indicate that the alternating magnetic field can stabilize the flow inside the molten pool, and the number of fish scales on the weld surface is reduced. Also, welding spatter is significantly reduced during welding. The magnetic field suppresses the diffusion of Fe and Al, resulting in fewer needle-like FeAl3 phases, thus enhancing the ductility and toughness of the welds. Tensile tests show that the maximum load and elongation are 65% and 137% higher than under non-magnetic welding conditions.
在激光焊接过程中,钢-铝界面处迅速形成脆性金属间化合物,严重破坏了接头的力学性能。研究了交变磁场辅助对1.5 mm厚Al-Si涂层22MnB5钢与2 mm厚6061 T6铝板激光焊接的影响。结果表明,交变磁场能稳定熔池内的流动,减少焊缝表面鱼鳞的数量。此外,焊接过程中的焊接飞溅也大大减少。磁场抑制了Fe和Al的扩散,导致针状FeAl3相减少,从而提高了焊缝的延展性和韧性。拉伸试验表明,与无磁焊接相比,该材料的最大载荷和伸长率分别提高了65%和137%。
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引用次数: 0
Crystal plasticity finite element modeling of the deformation response of AA7050 processed via additive friction stir deposition 添加剂搅拌摩擦沉积AA7050变形响应的晶体塑性有限元模拟
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-19 DOI: 10.1016/j.mtla.2025.102610
Ezra Mengiste , Jacob Strain , Luke N. Brewer , Matthew Kasemer
Among the various nascent additive manufacturing methods, additive friction stir deposition, or AFSD, has emerged as an attractive manufacturing modality for use with aluminum alloys. The extreme heat input and mechanical deformation incurred during AFSD processing, however, may significantly affect the microstructural state of the material. In aluminum alloy (AA) 7050, it is observed that that the deposited material exhibits a loss of strength compared to tempered feedstock, which is attributed largely to the changes in the microstructure of the material. In this work, we utilize crystal plasticity finite element modeling informed by experimental characterization and mechanical testing to examine the mechanical properties of AA7050 samples processed via AFSD. This is conducted through the implementation of a model governing precipitate strengthening to provide predictions of the influence that the size and volume fraction of precipitates have on the mechanical behavior of the material. We discuss this implementation, its effects, and further discuss the influence of crystallographic texture and grain size on the mechanical behavior of the material. We are able to demonstrate a framework that is capable of capturing the combined contribution of the weakened texture and coarse precipitate distribution of the builds to the observed drop in macroscopic strength and make observations on the stress distributions.
在各种新兴的增材制造方法中,添加剂搅拌摩擦沉积(AFSD)已成为一种有吸引力的铝合金制造方式。然而,在AFSD加工过程中产生的极端热输入和机械变形可能会显著影响材料的微观组织状态。在铝合金(AA) 7050中,与回火原料相比,沉积材料表现出强度损失,这主要归因于材料微观结构的变化。在这项工作中,我们利用晶体塑性有限元建模,通过实验表征和力学测试来研究经过AFSD处理的AA7050样品的力学性能。这是通过实施控制沉淀强化的模型来进行的,该模型可以预测沉淀的大小和体积分数对材料力学行为的影响。我们讨论了这种实现及其效果,并进一步讨论了晶体织构和晶粒尺寸对材料力学行为的影响。我们能够演示一个框架,该框架能够捕获建筑物的弱化纹理和粗沉淀物分布对观察到的宏观强度下降的综合贡献,并对应力分布进行观察。
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引用次数: 0
Revealing the void-size distribution of silica glass using persistent homology 利用持续同源性揭示二氧化硅玻璃的空隙尺寸分布
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-19 DOI: 10.1016/j.mtla.2025.102613
Achraf Atila , Yasser Bakhouch , Zhuocheng Xie
Oxide glasses have proven to be useful across a wide range of technological applications. Nevertheless, their medium-range structure has remained elusive. Previous studies focused on ring statistics as a metric of the medium-range structure, but this metric provides an incomplete picture of the glassy structure. Here, we use atomistic simulations and state-of-the-art topological analysis tools, namely persistent homology (PH), to analyze the medium-range structure of the archetypal oxide glass (Silica) at ambient temperatures and with varying pressures. PH presents an unbiased definition of loops and voids, providing an advantage over other methods for studying the structure and topology of complex materials, such as glasses, across multiple length scales. We captured subtle topological transitions in medium-range order and cavity distributions, providing new insights into glass structure. Our work provides a robust way for extracting the void distribution of oxide glasses based on PH.
氧化物玻璃已被证明在广泛的技术应用中是有用的。然而,它们的中程结构仍然难以捉摸。以前的研究集中在环统计作为一个中等范围结构的度量,但这个度量提供了一个不完整的玻璃结构的图片。在这里,我们使用原子模拟和最先进的拓扑分析工具,即持久同源性(PH),来分析环境温度和不同压力下原型氧化玻璃(二氧化硅)的中等范围结构。PH给出了环路和空洞的无偏定义,为研究复杂材料(如玻璃)的结构和拓扑结构提供了优于其他方法的优势,可以跨越多个长度尺度。我们捕捉到了中等范围秩序和腔分布的微妙拓扑转变,为玻璃结构提供了新的见解。我们的工作为基于PH提取氧化玻璃的空隙分布提供了一种可靠的方法。
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引用次数: 0
Gentamicin-loaded xerogel coating prevents peri‑prosthetic joint infection in an adult Göttingen minipig model 负载庆大霉素的干凝胶涂层在成人Göttingen迷你猪模型中防止假体周围关节感染
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-19 DOI: 10.1016/j.mtla.2025.102614
Katrine Top Hartmann , Marie Høy Hansen , Anton Alexander Nolte Peterlin , Julie Melsted Birch , Bent Aalbæk , Johanne Gade Lilleøre , Mats Bue , Nicole Lind Henriksen , Ida Thaarup , Thomas Bjarnsholt , Andreas Petersen , Kerstin Skovgaard , Anders Odgaard , Michail Vardavoulias , Konstantinos Giannakopoulos , Michael Arkas , Henrik Elvang Jensen , Louise Kruse Jensen
The risk of infection when inserting orthopedic devices like prostheses, screws, and plates represents a serious and challenging complication in orthopedic surgery. Most infections result from bacterial introduction during surgery, making it crucial and clinically relevant to protect the devices and surrounding tissue with intraoperative antimicrobials, especially in high-risk patients. Therefore, to mitigate this risk, antimicrobial coatings for different types of orthopedic devices have received substantial attention in recent decades with the goal of developing a “self-cleaning” surface. In here, we investigated a new and highly promising coating candidate. The coating was made of a hyperbranched poly(ethylene imine (PEI)) + orthosilicic acid-based hydrogel, that in a sol-gel process was transformed into a solid xerogel, which afterwards was loaded with gentamicin as active compound. The gentamicin-loaded xerogel coating was applied to functional implants i.e., cancellous bone screws, and tested within an advanced minipig model of Staphylococcus aureus induced peri‑prosthetic joint infection, without the use of systemic antimicrobial therapy. The study included evaluation of antimicrobial efficacy (quantification of bacterial load on the screw surface and within the surrounding tissues), pre -and post-insertion characterization of the coating, assessment of local inflammation and gene expression, and acute toxicity. Additionally, the pharmacokinetic in-vivo gentamicin release profile was measured using microdialysis in relevant local compartments. Due to a quick, locally high, and complete gentamicin release, the coating completely eradicated S. aureus from all compartments in all but one minipig. Therefore, this study shows proof of concept for the effectiveness of preventive antimicrobial release-based coatings.
植入假体、螺钉和钢板等骨科器械时的感染风险是骨科手术中一个严重且具有挑战性的并发症。大多数感染是由手术期间的细菌引入引起的,因此,术中使用抗菌药物保护器械和周围组织至关重要,而且具有临床意义,特别是在高危患者中。因此,为了降低这种风险,近几十年来,用于不同类型骨科器械的抗菌涂层受到了广泛关注,其目标是开发一种“自清洁”表面。在这里,我们研究了一种新的和非常有前途的候选涂层。该涂层由超支化聚乙烯亚胺(PEI) +正硅酸基水凝胶制成,在溶胶-凝胶过程中转化为固体干凝胶,然后负载庆大霉素作为活性化合物。负载庆大霉素的干凝胶涂层应用于功能性植入物,即松质骨螺钉,并在金黄色葡萄球菌诱导的假体周围关节感染的高级迷你猪模型中进行测试,无需使用全身抗菌治疗。该研究包括抗菌效果的评估(量化螺钉表面和周围组织内的细菌负荷),涂层插入前后的特征,局部炎症和基因表达的评估以及急性毒性。此外,体内庆大霉素释放谱的药代动力学测量使用微透析在相关局部室。由于快速,局部高,完全释放庆大霉素,涂层完全根除了所有隔间的金黄色葡萄球菌,除了一只迷你猪。因此,这项研究证明了预防性抗菌释放基涂层的有效性。
{"title":"Gentamicin-loaded xerogel coating prevents peri‑prosthetic joint infection in an adult Göttingen minipig model","authors":"Katrine Top Hartmann ,&nbsp;Marie Høy Hansen ,&nbsp;Anton Alexander Nolte Peterlin ,&nbsp;Julie Melsted Birch ,&nbsp;Bent Aalbæk ,&nbsp;Johanne Gade Lilleøre ,&nbsp;Mats Bue ,&nbsp;Nicole Lind Henriksen ,&nbsp;Ida Thaarup ,&nbsp;Thomas Bjarnsholt ,&nbsp;Andreas Petersen ,&nbsp;Kerstin Skovgaard ,&nbsp;Anders Odgaard ,&nbsp;Michail Vardavoulias ,&nbsp;Konstantinos Giannakopoulos ,&nbsp;Michael Arkas ,&nbsp;Henrik Elvang Jensen ,&nbsp;Louise Kruse Jensen","doi":"10.1016/j.mtla.2025.102614","DOIUrl":"10.1016/j.mtla.2025.102614","url":null,"abstract":"<div><div>The risk of infection when inserting orthopedic devices like prostheses, screws, and plates represents a serious and challenging complication in orthopedic surgery. Most infections result from bacterial introduction during surgery, making it crucial and clinically relevant to protect the devices and surrounding tissue with intraoperative antimicrobials, especially in high-risk patients. Therefore, to mitigate this risk, antimicrobial coatings for different types of orthopedic devices have received substantial attention in recent decades with the goal of developing a “self-cleaning” surface. In here, we investigated a new and highly promising coating candidate. The coating was made of a hyperbranched poly(ethylene imine (PEI)) + orthosilicic acid-based hydrogel, that in a sol-gel process was transformed into a solid xerogel, which afterwards was loaded with gentamicin as active compound. The gentamicin-loaded xerogel coating was applied to functional implants i.e., cancellous bone screws, and tested within an advanced minipig model of <em>Staphylococcus aureus</em> induced peri‑prosthetic joint infection, without the use of systemic antimicrobial therapy. The study included evaluation of antimicrobial efficacy (quantification of bacterial load on the screw surface and within the surrounding tissues), pre -and post-insertion characterization of the coating, assessment of local inflammation and gene expression, and acute toxicity. Additionally, the pharmacokinetic in-vivo gentamicin release profile was measured using microdialysis in relevant local compartments. Due to a quick, locally high, and complete gentamicin release, the coating completely eradicated <em>S. aureus</em> from all compartments in all but one minipig. Therefore, this study shows proof of concept for the effectiveness of preventive antimicrobial release-based coatings.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"44 ","pages":"Article 102614"},"PeriodicalIF":2.9,"publicationDate":"2025-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145578549","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
On the role of athermal and isothermal omega on the stress induced martensitic transformation in Ti-18Nb (at.%) 非热和等温ω对Ti-18Nb (at.%)应力诱导马氏体相变的影响
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-12 DOI: 10.1016/j.mtla.2025.102608
N.L. Church, O.G. Reed, G.J. Wise, N.G. Jones
Metastable β Ti-Nb alloys have potential as biomedical implant materials due to a low elastic modulus and good biocompatibility. However, these alloys are susceptible to the ⍵ phase transformation, which significantly stiffens the alloy. Despite this, there is limited agreement within the literature whether the form of the ⍵ phase is important in governing subsequent mechanical response. Here, this work utilises synchrotron X-ray diffraction data to conclusively demonstrates that ⍵iso significantly inhibits a mechanically driven martensitic transformation, whereas ⍵ath is seen to have a much smaller effect. This work therefore has important consequences for the design of new transforming materials.
亚稳态β Ti-Nb合金具有较低的弹性模量和良好的生物相容性,具有作为生物医学植入材料的潜力。然而,这些合金易发生变质,从而使合金显著变硬。尽管如此,在文献中存在有限的共识,即是否在控制随后的机械反应中,状态的形式是重要的。在这里,这项工作利用同步加速器x射线衍射数据来最终证明, iso显着抑制机械驱动的马氏体转变,而其作用要小得多。因此,这项工作对设计新的转化材料具有重要意义。
{"title":"On the role of athermal and isothermal omega on the stress induced martensitic transformation in Ti-18Nb (at.%)","authors":"N.L. Church,&nbsp;O.G. Reed,&nbsp;G.J. Wise,&nbsp;N.G. Jones","doi":"10.1016/j.mtla.2025.102608","DOIUrl":"10.1016/j.mtla.2025.102608","url":null,"abstract":"<div><div>Metastable β Ti-Nb alloys have potential as biomedical implant materials due to a low elastic modulus and good biocompatibility. However, these alloys are susceptible to the ⍵ phase transformation, which significantly stiffens the alloy. Despite this, there is limited agreement within the literature whether the form of the ⍵ phase is important in governing subsequent mechanical response. Here, this work utilises synchrotron X-ray diffraction data to conclusively demonstrates that ⍵<sub>iso</sub> significantly inhibits a mechanically driven martensitic transformation, whereas ⍵<sub>ath</sub> is seen to have a much smaller effect. This work therefore has important consequences for the design of new transforming materials.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"44 ","pages":"Article 102608"},"PeriodicalIF":2.9,"publicationDate":"2025-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145578548","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Multiscale computations of grain boundary solute segregation spectra in Cu polycrystals Cu多晶晶界溶质偏析谱的多尺度计算
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-12 DOI: 10.1016/j.mtla.2025.102603
Changle Li , Christopher A. Schuh
We apply a multiscale quantum mechanics/molecular mechanics (QM/MM) approach to compute the zero-Kelvin segregation energies of 42 solute elements in polycrystalline Cu. High-throughput quantum accurate segregation spectra are established using the projector augmented wave method with a plane-wave basis, enabling direct prediction of solute enrichment as a function of temperature and composition. This in turn opens new opportunities to analyze experimental data and design copper alloys.
应用多尺度量子力学/分子力学(QM/MM)方法计算了多晶Cu中42种溶质元素的零开尔文偏析能。利用平面波投影增广波方法建立了高通量量子精确偏析光谱,可以直接预测溶质富集作为温度和组成的函数。这反过来又为分析实验数据和设计铜合金提供了新的机会。
{"title":"Multiscale computations of grain boundary solute segregation spectra in Cu polycrystals","authors":"Changle Li ,&nbsp;Christopher A. Schuh","doi":"10.1016/j.mtla.2025.102603","DOIUrl":"10.1016/j.mtla.2025.102603","url":null,"abstract":"<div><div>We apply a multiscale quantum mechanics/molecular mechanics (QM/MM) approach to compute the zero-Kelvin segregation energies of 42 solute elements in polycrystalline Cu. High-throughput quantum accurate segregation spectra are established using the projector augmented wave method with a plane-wave basis, enabling direct prediction of solute enrichment as a function of temperature and composition. This in turn opens new opportunities to analyze experimental data and design copper alloys.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"44 ","pages":"Article 102603"},"PeriodicalIF":2.9,"publicationDate":"2025-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145578544","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Electron/exciton–phonon coupling in FAPbBr3 single crystals FAPbBr3单晶中的电子/激子-声子耦合
IF 2.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-10 DOI: 10.1016/j.mtla.2025.102605
Bangwei Jin , Yulin Peng , Chen Zou , Dexin Yang , Xuefeng Zhang
Electron–phonon interactions have significant influences on the photoluminescent (PL) emissions and carrier dynamics of the hybrid perovskite CH(NH2)2PbBr3 (FAPbBr3). Here, we investigate these interactions in a FAPbBr3 single crystal using femtosecond laser excitation. Temperature–dependent PL spectra (80–310 K) are analyzed to separate the contributions of acoustic and longitudinal optical (LO) phonons to the PL linewidth. We find that LO phonons dominate the PL linewidth broadening above 80 K. Free and defect–bound exciton binding energies are examined via Arrhenius analysis, revealing that defected–bound excitons have lower binding energy than free excitons. Additionally, temperature–dependent X–ray diffraction and PL measurements reveal a tetragonal–to–orthorhombic phase transition near 180 K and a freezing behavior of the FA+ cations around 150 K. In contrast to the octahedral tilting transition, the freezing of FA+ rotations induces a remarkable shift in PL peak energy and alters exciton–phonon coupling. These findings clarify the intrinsic electron/exciton–phonon interactions in FAPbBr3 single crystals and provide insight for optimizing their optoelectronic performance.
电子-声子相互作用对杂化钙钛矿CH(NH2)2PbBr3 (FAPbBr3)的光致发光(PL)发射和载流子动力学有显著影响。在这里,我们使用飞秒激光激发来研究FAPbBr3单晶中的这些相互作用。对温度相关的PL光谱(80-310 K)进行了分析,以分离声子和纵向光学声子对PL线宽的贡献。我们发现LO声子主导了80k以上的PL线宽展宽。通过阿伦尼乌斯分析研究了自由和缺陷束缚激子的结合能,发现缺陷束缚激子比自由激子具有更低的结合能。此外,温度相关的x射线衍射和PL测量显示,在180 K附近,FA+阳离子发生了四方向正交相变,在150 K左右,FA+阳离子发生了冻结行为。与八面体倾斜跃迁相比,FA+旋转的冻结引起了PL峰值能量的显著变化,并改变了激子-声子耦合。这些发现阐明了FAPbBr3单晶中固有的电子/激子-声子相互作用,并为优化其光电性能提供了见解。
{"title":"Electron/exciton–phonon coupling in FAPbBr3 single crystals","authors":"Bangwei Jin ,&nbsp;Yulin Peng ,&nbsp;Chen Zou ,&nbsp;Dexin Yang ,&nbsp;Xuefeng Zhang","doi":"10.1016/j.mtla.2025.102605","DOIUrl":"10.1016/j.mtla.2025.102605","url":null,"abstract":"<div><div>Electron–phonon interactions have significant influences on the photoluminescent (PL) emissions and carrier dynamics of the hybrid perovskite CH(NH<sub>2</sub>)<sub>2</sub>PbBr<sub>3</sub> (FAPbBr<sub>3</sub>). Here, we investigate these interactions in a FAPbBr<sub>3</sub> single crystal using femtosecond laser excitation. Temperature–dependent PL spectra (80–310 K) are analyzed to separate the contributions of acoustic and longitudinal optical (LO) phonons to the PL linewidth. We find that LO phonons dominate the PL linewidth broadening above 80 K. Free and defect–bound exciton binding energies are examined via Arrhenius analysis, revealing that defected–bound excitons have lower binding energy than free excitons. Additionally, temperature–dependent X–ray diffraction and PL measurements reveal a tetragonal–to–orthorhombic phase transition near 180 K and a freezing behavior of the FA<sup>+</sup> cations around 150 K. In contrast to the octahedral tilting transition, the freezing of FA<sup>+</sup> rotations induces a remarkable shift in PL peak energy and alters exciton–phonon coupling. These findings clarify the intrinsic electron/exciton–phonon interactions in FAPbBr<sub>3</sub> single crystals and provide insight for optimizing their optoelectronic performance.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"44 ","pages":"Article 102605"},"PeriodicalIF":2.9,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145525455","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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