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Thermal Conductivity of Graphene-Reinforced Energetic Materials: Mechanisms and Optimization Strategies 石墨烯增强含能材料的导热性能:机理与优化策略
IF 6.7 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-04 DOI: 10.1039/d5nr05318h
Shihui Fu, Yuhan Zhou, Kang Xu, Gang Huang, Zhikang Wang, Yuxiang Ni, Xin Huang, Chaoyang Zhang, Yanqing Wang
This review systematically explores the key factors affecting the thermal conductivity of graphene-reinforced polymer-based energetic materials, integrating phonon transport mechanisms with practical optimization strategies. It clarifies that heat transfer in graphene-polymer systems is dominated by lattice vibrations and phonon scattering processes (phonon–phonon, phonon–defect, phonon–boundary). Critical parameters—including filler loading, graphene’s lateral size, layer number, defect density, dispersion quality, and 3D network structures—are rigorously assessed. Results show that large-area, low-defect graphene with interconnected 3D networks minimizes interfacial thermal resistance, enabling efficient heat conduction at low filler loadings. Surface functionalization (covalent/non-covalent) and hybrid fillers (e.g., carbon nanotubes, MXene) enhance dispersion uniformity and interfacial adhesion, while computational modeling offers theoretical guidance for material design. Despite promising lab-scale outcomes, scalability remains a major challenge. Future research should prioritize eco-friendly synthesis, interdisciplinary approaches, and advanced interfacial engineering to promote applications in electronic devices and energetic materials. Keywords: Graphene; Thermal Conduction; Polymer matrix composite
本文系统地探讨了影响石墨烯增强聚合物基含能材料导热性的关键因素,并将声子输运机制与实际优化策略相结合。它阐明了石墨烯-聚合物系统中的传热是由晶格振动和声子散射过程(声子-声子,声子缺陷,声子边界)主导的。关键参数——包括填料负载、石墨烯的横向尺寸、层数、缺陷密度、分散质量和3D网络结构——都经过严格评估。结果表明,具有互联3D网络的大面积低缺陷石墨烯可以最大限度地减少界面热阻,从而在低填料负载下实现高效热传导。表面功能化(共价/非共价)和杂化填料(如碳纳米管、MXene)增强了分散均匀性和界面粘附性,而计算建模为材料设计提供了理论指导。尽管实验室规模的结果很有希望,但可扩展性仍然是一个主要挑战。未来的研究应优先考虑生态合成、跨学科方法和先进的界面工程,以促进在电子器件和含能材料中的应用。关键词:石墨烯;热传导;聚合物基复合材料
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引用次数: 0
Ligand content-dependent exocytosis governs the blood–brain barrier transcytosis of nanocarriers 配体含量依赖的胞外分泌控制着纳米载体的血脑屏障胞吞作用
IF 6.7 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-04 DOI: 10.1039/d5nr05008a
Xinyue Zhang, Yanan Xu, Caixia Wang, Zhihong Liu
The blood–brain barrier (BBB) penetration efficiency of nanocarriers is restricted by limited exocytosis to the brain parenchyma. This study demonstrates that exocytosis efficiency initially increases and subsequently decreases with increasing ligand content. Therefore, optimizing ligand content in brain-targeted nanocarriers is crucial to enhance exocytosis and transcytosis across the BBB.
纳米载体的血脑屏障穿透效率受限于对脑实质的有限胞吐作用。该研究表明,随着配体含量的增加,胞吐效率开始增加,随后下降。因此,优化脑靶向纳米载体中的配体含量对于增强血脑屏障的胞吐和胞吞作用至关重要。
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引用次数: 0
Tunable synthesis of OH--doped BixOyIz nanoparticles for enhanced visible-light photocatalytic degradation of water pollutants. 羟基掺杂BixOyIz纳米颗粒的可调合成增强可见光光催化降解水污染物。
IF 5.1 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-04 DOI: 10.1039/d5nr04061b
Akshay Kulkarni, Kornelia Schlenstedt, Regine Boldt, Christine Steinbach, Hadi Taghavian, Martin Kormunda, André Lerch, Jochen Meier-Haack

The persistent presence of endocrine-disruptive chemicals (EDCs) in surface waters has raised serious environmental and health concerns, necessitating the development of efficient and sustainable water treatment strategies. Advanced oxidation using visible light-driven photoactive bismuth oxyiodide nanoparticles is an emerging technique for efficient water treatment. The effects of reaction parameters such as pH and temperature on the formation of semiconductor BixOyIz nanoparticles remain underemphasized despite their critical role in tailoring size, morphology, elemental composition, specific surface area, and photocatalytic activity. Accordingly, this study aimed to develop a modified solvo-hydrothermal method to optimize the synthesis of BixOyIz nanoparticles under varying pH and temperature conditions, and to establish correlations between their physicochemical properties - characterized by XRD, SEM, EDX, TEM, FTIR, UV-vis DRS, XPS, PL, Raman, and BET - and their photocatalytic performance. The results revealed that the sensitivity of iodine to pH and temperature significantly influenced particle growth and specific surface area, while the overall photocatalytic activity was also determined by the various phases of bismuth oxides and hydroxides formed during synthesis. It was demonstrated that the particles synthesized at pH values between 1.5 and 5.5 showed the highest photocatalytic activity due to the combined effect of larger surface area and interstitial surface defects formed due to hydroxylation. Finally, the possible configuration mechanism of the synthesized nanoparticles and the kinetics of photocatalytic degradation were discussed.

地表水中持续存在的干扰内分泌的化学物质引起了严重的环境和健康问题,因此有必要制定有效和可持续的水处理战略。利用可见光驱动的光活性氧化铋纳米颗粒进行高级氧化是一种新兴的高效水处理技术。尽管反应参数如pH和温度对半导体BixOyIz纳米颗粒形成的影响在尺寸、形态、元素组成、比表面积和光催化活性等方面起着关键作用,但它们对形成的影响仍然不够重视。因此,本研究旨在建立一种改进的溶剂水热法来优化BixOyIz纳米颗粒在不同pH和温度条件下的合成,并建立其物理化学性质-通过XRD, SEM, EDX, TEM, FTIR, UV-vis DRS, XPS, PL, Raman和BET表征-与其光催化性能之间的相关性。结果表明,碘对pH和温度的敏感性显著影响颗粒的生长和比表面积,而合成过程中形成的铋氧化物和氢氧化物的不同相也决定了总体光催化活性。结果表明,在pH值为1.5 ~ 5.5时合成的颗粒具有最高的光催化活性,这是由于较大的表面积和羟基化形成的间隙表面缺陷的共同作用。最后,讨论了合成的纳米粒子可能的构型机理和光催化降解动力学。
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引用次数: 0
Circularity-engineered functional 2D materials: advances and commercialization insights for photocatalytic degradation of persistent contaminants 圆形工程功能二维材料:持久性污染物光催化降解的进展和商业化见解
IF 6.7 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-04 DOI: 10.1039/d5nr04074d
Sahil Chauhan, Prakash Ajay Taksal, Jayanta Bhattacharya, Brajesh Kumar Dubey
Since the discovery of graphene in 2004, two-dimensional (2D) photoactive materials have gained significant attention owing to their exceptional thermal, electrical, and mechanical properties, as well as their high specific surface area and tunable electronic structure. While photocatalysis remains a promising approach for the degradation of persistent contaminants (PCs), recent advances in materials science have shifted the focus toward 2D material-based heterojunction systems. These systems exhibit abundant reactive sites, enhanced charge transport and separation efficiencies, and robust redox capabilities. This review comprehensively highlights major breakthroughs in 2D metal oxides, transition metal dichalcogenides, metal-free photocatalysts, and MXene-derived heterojunction architectures that demonstrate strong potential for PC detoxification. Furthermore, herein emerging green synthesis strategies that introduce a new dimension to 2D material production, emphasizing the growing use of waste-derived precursors to achieve environmentally benign fabrication, are outlined. Notably, these routes offer dual advantages by lowering production costs and reducing reliance on hazardous chemicals. The article concludes with an integrated perspective on present challenges and future opportunities for 2D heterojunction systems within a circular engineering framework. Finally, the recent progress and commercialization pathways for deploying circularity engineered 2D material-based photocatalytic technologies as sustainable advanced oxidation systems for the effective remediation of PCs are elaborated in detail.
自2004年发现石墨烯以来,二维(2D)光活性材料由于其特殊的热、电、机械性能以及高比表面积和可调谐的电子结构而受到了极大的关注。虽然光催化仍然是降解持久性污染物(pc)的一种很有前途的方法,但材料科学的最新进展已将重点转向基于二维材料的异质结系统。这些系统具有丰富的反应位点,增强的电荷传输和分离效率,以及强大的氧化还原能力。本文综合介绍了在二维金属氧化物、过渡金属二硫族化合物、无金属光催化剂和mxene衍生异质结结构方面的重大突破,这些突破显示了PC解毒的强大潜力。此外,本文概述了新兴的绿色合成策略,这些策略为二维材料生产引入了一个新的维度,强调越来越多地使用废物衍生的前体来实现环保制造。值得注意的是,这些路线具有降低生产成本和减少对危险化学品依赖的双重优势。文章总结了在圆形工程框架内二维异质结系统的当前挑战和未来机遇的综合观点。最后,详细阐述了利用圆形工程二维材料光催化技术作为可持续的高级氧化系统有效修复pc的最新进展和商业化途径。
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引用次数: 0
Ag/Pd bimetallic sites embedded in g-C3N4 nanosheets synergistically catalyze Suzuki coupling and nitroaromatic reduction reactions g-C3N4纳米片上嵌入银/钯双金属位点协同催化铃木偶联和硝基芳烃还原反应
IF 6.7 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-04 DOI: 10.1039/d5nr04119h
Gongshu Wang, Aiye Shi, Nannan Wang, Feng Xue, Jianshe Hu
Abstract The transition metal (Pd) mediated C-C coupling reactions are key synthetic approaches among organic reactions and have become an integral part of synthetic endeavors. This study employs high-temperature pyrolysis to embed AgPd dual active sites within graphitic carbon nitride (g-C₃N₄), enabling highly efficient carbon-carbon coupling reactions and reduction of nitroaromatics. The prepared AgPd-C3N4 showed excellent catalytic performance in Suzuki-Miyaura coupling and transfer hydrogenation reactions of nitroaromatics. The reaction rate and selectivity of AgPd-C3N4 were superior to those of Pd-C3N4 and Pd-C3N4 under mild conditions. Both the characterization results and density-functional theory calculations indicate that the abundant Ag inside AgPd-C3N4 can provide electrons to the Pd in the adjacent sites, which significantly increases the reaction rate of the oxidative addition step during the Suzuki-Miyaura coupling reaction. The π-π conjugation effect between aryl halides and g-C3N4 also helps to accelerate the reaction. Under the same conditions, the yield of the Suzuki-Miyaura coupling reaction catalyzed by AgPd-C3N4 (98%) exceeded that of Pd-C3N4 (79%). Furthermore, the synergistic interaction between the bimetallic centers improved the catalytic activity of AgPd-C3N4 in nitroaromatic transfer hydrogenation reactions. The formation of Ag-Nx and Pd-Nx coordination bonds improved the dispersion and stability of Ag and Pd nanoparticles. This study provides a new strategy for the rational design of high-performance bimetallic catalysts based on carbon nitride.
过渡金属(Pd)介导的C-C偶联反应是有机合成中的关键途径,已成为合成领域的重要组成部分。本研究采用高温热解技术将AgPd双活性位点嵌入石墨氮化碳(g-C₃N₄)中,实现了高效的碳-碳偶联反应和硝基芳烃的还原。制备的AgPd-C3N4在硝基芳烃的Suzuki-Miyaura偶联和转移加氢反应中表现出优异的催化性能。在温和条件下,AgPd-C3N4的反应速率和选择性均优于Pd-C3N4和Pd-C3N4。表征结果和密度泛函理论计算均表明,AgPd-C3N4内部丰富的Ag可以为相邻位点的Pd提供电子,从而显著提高了Suzuki-Miyaura偶联反应中氧化加成步骤的反应速率。芳基卤化物与g-C3N4之间的π-π共轭效应也有助于加速反应。在相同的条件下,AgPd-C3N4催化的Suzuki-Miyaura偶联反应的产率(98%)超过了Pd-C3N4(79%)。此外,双金属中心之间的协同作用提高了AgPd-C3N4在硝基芳香转移加氢反应中的催化活性。Ag- nx和Pd- nx配位键的形成提高了Ag和Pd纳米粒子的分散性和稳定性。该研究为合理设计高性能氮化碳双金属催化剂提供了新的思路。
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引用次数: 0
Preparation of a novel hydrazine electrochemical sensor using Fe2O3@ZnO core-shell nanoparticles. 利用Fe2O3@ZnO核壳纳米颗粒制备新型联氨电化学传感器。
IF 5.1 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-03 DOI: 10.1039/d5nr02927a
R Shariati, F Ahour, A Zamani

The sensitive and selective detection of hydrazine (HAZ) is crucial due to its high toxicity and widespread environmental impact. This work reports a green synthesis of spindle-shaped Fe2O3@ZnO core-shell nanoparticles using walnut shells as a sustainable biomass precursor via a combined wet impregnation-calcination approach. The core-shell architecture was fabricated through wet impregnation of pre-formed Fe2O3 cores followed by calcination and thoroughly characterized by Fourier-transform infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM) mapping, and energy-dispersive X-ray spectroscopy (EDS). Electrochemical studies revealed that Fe2O3@ZnO exhibits superior activity for hydrazine oxidation, attributed to synergistic core-shell interactions that enhance electron transfer and increase the active site density. The resulting sensor demonstrates excellent performance, featuring a wide linear range (0.02-68 µM), a low detection limit (14 nM), high sensitivity (3.54 µA µM-1), and notable selectivity, stability, and reproducibility. These findings underscore the potential of biomass-derived core-shell nanomaterials for advanced electrochemical sensing.

由于联氨的高毒性和广泛的环境影响,对其进行灵敏和选择性的检测至关重要。这项工作报道了一种绿色合成纺锤形Fe2O3@ZnO核壳纳米颗粒,利用核桃壳作为可持续生物质前体,通过湿浸渍-煅烧相结合的方法。采用湿浸渍法制备了预成型的Fe2O3芯,然后煅烧制备了核壳结构,并通过傅里叶变换红外光谱(FT-IR)、场发射扫描电子显微镜(FESEM)、透射电子显微镜(TEM)成像和能量色散x射线能谱(EDS)对其进行了全面表征。电化学研究表明,Fe2O3@ZnO具有优异的肼氧化活性,这是由于协同核壳相互作用增强了电子转移并增加了活性位点密度。该传感器具有较宽的线性范围(0.02 ~ 68µM)、较低的检出限(14 nM)、较高的灵敏度(3.54µaµM-1)、显著的选择性、稳定性和重复性。这些发现强调了生物质衍生的核壳纳米材料在先进电化学传感方面的潜力。
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引用次数: 0
Synergistic W-Doping and Co 3 S 4 Heterostructuring in NiFe LDH for Energy-Saving Hydrogen Production via Urea-Assisted Water Electrolysis 协同w掺杂和co3s4异质结构在NiFe LDH中的应用
IF 6.7 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-03 DOI: 10.1039/d5nr05142h
Zelin Yang, Peng Dai, Haoran Zhen, Tongtong Jiang, Kaiwen Wang, Mingzai Wu
The development of efficient electrocatalysts to replace the sluggish oxygen evolution reaction (OER) with the urea oxidation reaction (UOR) is crucial for achieving energy-saving hydrogen production. To this end, we constructed a heterostructure comprising W-doped NiFe layered double hydroxide (W-NiFe LDH) and Co3S4 on a nickel foam (NF) substrate using a two-step hydrothermal method. The incorporation of W dopants and the formation of a heterointerface induce significant electron redistribution, leading to an optimized electronic structure. The resulting W-NiFe LDH@Co3S4/NF electrode exhibited exceptional electrocatalytic activity for the UOR, which required only 1.41 V to achieve a current density of 100 mA cm-2 in 1 M KOH with 0.33 M urea. This potential is 119 mV lower than that required for the OER at the same current density, highlighting the significant energy-saving advantage of the urea oxidation pathway. When integrated into an anion exchange membrane electrolyzer, the electrode enables overall urea-assisted water splitting at a low cell voltage of 1.83 V (100 mA cm-2). Density functional theory calculations indicate that the remarkable UOR performance stems from enhanced adsorption of the CO(NH2)2* intermediate and a reduced energy barrier for the dehydrogenation step to CO* and NH*.
开发高效的电催化剂,以尿素氧化反应(UOR)取代缓慢的析氧反应(OER)是实现节能制氢的关键。为此,我们采用两步水热法在泡沫镍(NF)衬底上构建了由w掺杂NiFe层状双氢氧化物(W-NiFe LDH)和Co3S4组成的异质结构。W掺杂剂的掺入和异质界面的形成诱导了显著的电子重分布,导致了优化的电子结构。所得W-NiFe LDH@Co3S4/NF电极对UOR表现出优异的电催化活性,在1 M KOH和0.33 M尿素条件下,仅需1.41 V电流密度即可达到100 mA cm-2。该电势比相同电流密度下OER所需的电势低119 mV,突出了尿素氧化途径的显著节能优势。当集成到阴离子交换膜电解槽时,电极可以在1.83 V (100 mA cm-2)的低电池电压下实现整体尿素辅助水分解。密度泛函理论计算表明,显著的UOR性能源于对CO(NH2)2*中间体的吸附增强和脱氢步骤对CO*和NH*的能垒降低。
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引用次数: 0
124I-radiolabeled Exosome-Based Treatment Platform for Enhanced Boron Neutron Capture Therapy: Precise Delivery and Real-Time PET Tracking of Boron 基于124i放射性标记外泌体的强化硼中子捕获治疗平台:硼的精确递送和实时PET跟踪
IF 6.7 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-03 DOI: 10.1039/d5nr04823k
Ziteng Chen, Zhijie Wang, Mingxin Yang, Ruyu Yan, Linwen Lv, Ya-Nan Chang, Kui Chen, Wenjiang Yang, Hui Yuan, Xiangxi Meng, Lingbo Zhu, Zhi Yang, Gengmei Xing, Juan Li
Boron neutron capture therapy (BNCT) is a promising targeted radiotherapy modality, whose efficacy critically depends on the precise spatiotemporal synchronization of sufficient boron accumulation in tumor cells with neutron irradiation. To achieve this coordination, we developed an integrated treatment platform based on exosome-delivered 10B-containing carbon dots (BCDs), which allows tracking via positron emission tomography (PET) imaging. We first established a screening system focusing on various key parameters, including blood-brain barrier (BBB) permeability, glioma-targeting specificity, and the coating rate of exosomes on BCDs. Through systematic screening, mouse plasma-derived exosomes (Mouse-Exo) were identified as the optimal carrier, exhibiting superior BBB permeability and glioma-targeting specificity. Isothermal titration calorimetry confirmed that the coating of exosomes on BCDs is driven by spontaneous electrostatic interactions. The Exo-BCDs delivery system showed a significantly prolonged circulation half-life and achieved a tumor boron concentration of 123.44 ng/106 cells. That is approximately 6.17 times the therapeutic threshold, significantly enhancing tumor cell killing in BNCT. To elegantly resolve the inherent conflict between the high boron dose required for therapy and the low tracer dose sufficient for PET imaging, we propose a strategy of doping a small amount of 124I-labeled BCDs into a large excess of unlabeled BCDs, followed by exosome encapsulation. This approach offers a practical and clinically translatable strategy for real-time treatment guidance. This study provides a generalizable technical paradigm for advancing exosome-mediated BNCT toward clinical application in glioma.
硼中子俘获治疗(BNCT)是一种很有前景的靶向放疗方式,其疗效关键取决于中子照射在肿瘤细胞中充分积累硼的精确时空同步。为了实现这种协调,我们开发了一个基于外泌体递送的含10b碳点(bcd)的综合治疗平台,该平台可以通过正电子发射断层扫描(PET)成像进行跟踪。我们首先建立了一个以血脑屏障(BBB)通透性、胶质瘤靶向特异性和外泌体在bcd上的包被率等关键参数为重点的筛选系统。通过系统筛选,小鼠血浆源性外泌体(mouse - exo)被确定为最佳载体,具有优越的血脑屏障通透性和胶质瘤靶向特异性。等温滴定量热法证实了外泌体在bcd上的包被是由自发静电相互作用驱动的。Exo-BCDs给药系统显著延长了循环半衰期,使肿瘤硼浓度达到123.44 ng/106个细胞。这大约是治疗阈值的6.17倍,显著增强了BNCT的肿瘤细胞杀伤。为了巧妙地解决治疗所需的高硼剂量与PET成像所需的低示踪剂剂量之间的固有冲突,我们提出了一种策略,将少量124i标记的bcd掺杂到大量未标记的bcd中,然后进行外显体封装。这种方法为实时治疗指导提供了一种实用的、临床可翻译的策略。这项研究为推进外泌体介导的BNCT在胶质瘤中的临床应用提供了一个可推广的技术范例。
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引用次数: 0
Correction: Layered intercalation ferroelectricity induced by asymmetric ion coordination: a mini-review. 修正:不对称离子配位引起的层状嵌入铁电:一个小回顾。
IF 5.1 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-02 DOI: 10.1039/d6nr90015a
Yaxin Gao, Yutong Wang, Xuechen Wang, Menghao Wu

Correction for 'Layered intercalation ferroelectricity induced by asymmetric ion coordination: a mini-review' by Yaxin Gao et al., Nanoscale, 2025, 17, 25477-25483, https://doi.org/10.1039/D5NR03854E.

“不对称离子配位诱导的层状嵌入铁电性的修正:一个小回顾”,由高亚鑫等人,纳米尺度,2025,17,25477-25483,https://doi.org/10.1039/D5NR03854E。
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引用次数: 0
Interwoven Electronic and Phononic Topologies via Electron-Phonon Coupling and Locality-Engineered Edge States in Monolayer ZrBr 单层ZrBr中电子-声子耦合和局域工程边缘态交织电子和声子拓扑
IF 6.7 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-02 DOI: 10.1039/d5nr04269k
Jinghua Zhao, Zhengxin Yan, Yu Wang, Chen Qi, Kezhao Xiong, Zhao-Qi Wang
Monolayer ZrBr combines excellent electronic and phononic transport, forming a compact platform for coupled topology. First-principles and Wannier-Green’s-function calculations show symmetry-protected near-linear crossings along K–Γ–M–K without spin-orbit coupling (SOC). With SOC, a direct gap of ~45.6 meV opens at Γ with a pronounced reorganization of Zr-4d orbital weights. The Wilson-loop evolution yields Z2=1, and semi-infinite boundary spectra exhibit a gap-traversing helical edge channel, consistent with the constant-energy contour and in-plane spin winding. Phonon dispersions contain no imaginary frequencies and resolve two low-frequency softening anomalies at Γ and near (0.09,0.16,0); their progressive suppression with increasing electronic smearing indicates a Kohn-anomaly-type renormalization driven by Fermi-surface screening. Atom-projected phonon densities of states partition vibrations into a Zr-dominated low-frequency sector and a Br-dominated mid-to-high-frequency sector. The Eliashberg function α2F(ω) yields strong coupling λ=1.26 and superconducting quasiparticle signatures with Tc=21.67 K. Around ~3.45 THz, boundary phonon spectra, iso-frequency contours, and sign-alternating phonon Berry curvature jointly indicate a nontrivial phonon geometric response.
单层ZrBr结合了优秀的电子和声子输运,形成了一个紧凑的耦合拓扑平台。第一性原理和wanner - green函数计算表明,沿K -Γ-M-K存在对称保护的近线性交叉,没有自旋轨道耦合(SOC)。在SOC中,在Γ处打开了一个~45.6 meV的直接间隙,Zr-4d轨道质量发生了明显的重组。Wilson-loop演化产率为Z2=1,半无限边界光谱呈现出一个穿过间隙的螺旋边缘通道,与恒能轮廓和平面自旋缠绕一致。声子色散不包含虚频率,在Γ和(0.09,0.16,0)附近解决了两个低频软化异常;随着电子涂抹的增加,它们的逐渐抑制表明了由费米表面筛选驱动的kohn异常型重整化。原子投射声子密度的状态划分振动为zr主导的低频扇区和br主导的中高频扇区。Eliashberg函数α2F(ω)产生强耦合λ=1.26和超导准粒子特征,Tc=21.67 K。在~3.45 THz附近,边界声子谱、等频轮廓和符号交替声子Berry曲率共同表明声子几何响应是非平凡的。
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引用次数: 0
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