Progress in Natural Science: Materials International最新文献_第3页

Study of the phase transformation behavior and mechanical response in a β Ti-4.5Al-6.5Mo-2Cr-2.6Nb-2Zr-2Sn-1V alloy under different cooling rate 不同冷却速率下β Ti-4.5Al-6.5Mo-2Cr-2.6Nb-2Zr-2Sn-1V合金的相变行为和力学响应研究

IF 7.1 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-10-01 DOI: 10.1016/j.pnsc.2025.07.007

Xing Li , Zhen Chen , Xuesong Xu , Weijian Chen , Mingbing Li

This study systematically investigates the influence of cooling rate on the microstructure evolution and mechanical properties of a metastable β Ti-4.5Al-6.5Mo-2Cr-2.6Nb-2Zr-2Sn-1V alloy, using multi-scale characterization combined with thermal dilatometry and nanoindentation techniques. The continuous cooling transformation diagram identifies a critical cooling rate of about 200 °C/min, below which the α phase precipitation is completely suppressed. Experimental results reveal a gradual increase in the volume fraction of the α phase, ranging from 0 % to 50.6 %, as cooling rate decreases from 200 °C/min to 5 °C/min. The increase is associated with a corresponding enhancement in nanomechanical properties, achieving peak hardness of 5.25 GPa and Young's modulus of 123 GPa, attributed to synergistic effects related to phase type, content, and morphology. Fast quenching at 200 °C/min maintains a single metastable β phase by effectively preventing α phase precipitation, whereas relatively fast cooling rates (50–100 °C/min) promote selective intragranular α nucleation and heterogeneous precipitation due to unfavorable thermodynamic conditions and uneven defect distribution. Further reduction of cooling rates to intermediate levels (10–20 °C/min) initiates competitive growth of various α variants, including intragranular α, grain boundary α, and grain boundary Widmanstätten α. At the slow cooling rate of 5 °C/min, thermodynamically favorable conditions facilitate additional precipitation and coarsening of all α variants through enhanced atomic diffusion. The established quantitative relationships between thermal processing parameters (notably the critical threshold of ∼200 °C/min), multi-scale microstructure characteristics, and mechanical performance provide fundamental insights for microstructure design engineering and offer direct guidance for optimizing industrial heat treatment processes of metastable β titanium alloys.

采用多尺度表征、热膨胀法和纳米压痕技术，系统研究了冷却速率对亚稳β Ti-4.5Al-6.5Mo-2Cr-2.6Nb-2Zr-2Sn-1V合金微观组织演变和力学性能的影响。连续冷却转变图表明，在200℃/min左右的临界冷却速率下，α相的析出完全被抑制。实验结果表明，随着冷却速率从200°C/min降低到5°C/min， α相的体积分数逐渐增加，从0%到50.6%不等。这种增加与纳米力学性能的相应增强有关，由于与相类型、含量和形貌相关的协同效应，峰值硬度达到5.25 GPa，杨氏模量达到123 GPa。200°C/min快速淬火可有效阻止α相的析出，从而维持单个亚稳β相，而相对较快的冷却速率（50-100°C/min）由于不利的热力学条件和不均匀的缺陷分布，可促进α在晶内的选择性成核和非均匀析出。进一步降低冷却速率至中间水平（10-20°C/min），开始各种α变体的竞争生长，包括晶内α、晶界α和晶界Widmanstätten α。在5°C/min的缓慢冷却速率下，有利的热力学条件通过增强原子扩散促进了所有α变体的额外析出和粗化。建立了热处理参数（特别是临界阈值~ 200°C/min）、多尺度微观结构特征和力学性能之间的定量关系，为微观结构设计工程提供了基本见解，并为优化亚稳β钛合金的工业热处理工艺提供了直接指导。

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引用次数: 0

MD simulation study on the effects of point defects and Re on the mechanical properties of nickel-based single-crystal superalloys 点缺陷和稀土对镍基单晶高温合金力学性能影响的MD模拟研究

IF 7.1 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-10-01 DOI: 10.1016/j.pnsc.2025.09.001

Yuning Zhang , Junjie Yang , Fulei Jing

The effects of point defects and Re on the mechanical properties of Nickel-based single-crystal superalloys at different temperatures were investigated using molecular dynamics (MD) simulations. Based on existing experimental results and first-principles calculations, the concentrations of various types of point defects at different temperatures and the distribution of Re atoms were obtained to facilitate the establishment of the corresponding MD model. The analysis indicated that the vacancies can enhance the yield strength by hindering the movement of dislocations within the γ matrix. Meanwhile, Ni anti-sites weaken the material whereas Al anti-sites strengthen it, which is attributed to their distinct impact on the stacking fault energy and their different formation energy. In addition, our result found that Re element induces the formation of a “concentric ring” stacking fault structure at the phase interface, which weakens the mechanical properties of the material, while the accumulation of Re atoms near the phase interface can improve it by preventing dislocations from penetrating the γ′ phase.

采用分子动力学（MD）模拟研究了不同温度下点缺陷和Re对镍基单晶高温合金力学性能的影响。基于已有的实验结果和第一性原理计算，得到了不同温度下不同类型点缺陷的浓度和Re原子的分布，便于建立相应的MD模型。分析表明，空位通过阻碍位错在γ基体内的移动来提高屈服强度。同时，Ni反位对材料有一定的削弱作用，而Al反位对材料有一定的增强作用，这是由于它们对层错能的影响不同，形成能也不同。此外，我们的研究结果发现，Re元素在相界面处诱导形成“同心圆”层错结构，使材料的力学性能减弱，而Re原子在相界面附近的积累可以通过阻止位错穿透γ′相来改善材料的力学性能。

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引用次数: 0

Grain orientation control of Nd-Fe-B magnet during solidification by selective laser melting 选择性激光熔化凝固Nd-Fe-B磁体的晶粒取向控制

IF 7.1 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-10-01 DOI: 10.1016/j.pnsc.2025.05.009

Peishu Song , Zhenyuan Liu , Yan Li , Dan Han , Lanting Zhang

Induced orientation of the Nd-Fe-B grains during solidification by selective laser melting (SLM) was studied using an anisotropic sintered Nd-Fe-B magnet as the substrate. Both the direct laser remelting of the substrate and the single-track melting of the powder on the substrate were conducted to investigate the grain orientation in the melt pool of the process. Laser line energy density between 0.8 and 10 J/mm is most conducive to forming the dense Nd-Fe-B magnet using SLM. A slow scanning speed of 20 mm/s is favorable to the <001> orientated grain formation along the building direction to the quick scanning speed of 200 mm/s under 140 W power. The melt pool microstructure of the SLM single track melting consists of the unmelted substrate zone, the heat-affected zone at the melt pool boundary, the dendritic zone at the center of the melt pool, the fine-grained zone at the upper center of the melt pool and the keyhole at the bottom of the melt pool. The <001> oriented grains with the same orientation as the substrate grains are formed in the dendrite zone of the melt pool with laser line energy density E_L = 2.8–7 J/mm. The present work has confirmed the feasibility of using anisotropic sintered Nd-Fe-B magnets as substrates to enhance the orientation of SLMed magnets, shedding light on an enhanced magnetic property due to their anisotropy.

以各向异性烧结Nd-Fe-B磁体为基体，研究了选择性激光熔化（SLM）凝固过程中Nd-Fe-B晶粒的诱导取向。采用激光直接重熔和粉末在基体上的单轨熔化两种方法对熔池中的晶粒取向进行了研究。激光线能量密度在0.8 ~ 10 J/mm之间最有利于用SLM成形致密钕铁硼磁体。在140 W功率下，20 mm/s的慢扫描速度有利于沿建筑方向形成<；001>；取向晶粒；到200 mm/s的快扫描速度。SLM单轨熔炼的熔池显微组织由未熔化的基体区、熔池边界的热影响区、熔池中心的枝晶区、熔池上部中心的细晶区和熔池底部的锁孔区组成。熔池枝晶区形成与基体晶粒取向相同的<；001>；取向晶粒，激光线能量密度EL = 2.8 ~ 7 J/mm。本研究证实了采用各向异性烧结Nd-Fe-B磁体作为衬底来增强SLMed磁体取向的可行性，揭示了由于其各向异性而增强的磁性。

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引用次数: 0

High-temperature shock synthesis of PtRuIrMnFe high-entropy alloy nanocatalysts for an efficient hydrogen evolution reaction 高温冲击合成PtRuIrMnFe高熵合金纳米催化剂的高效析氢反应

IF 7.1 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-10-01 DOI: 10.1016/j.pnsc.2025.09.005

Liming Li , Peng Kang , Hangxing Ren , Xianming Yuan , Donghui Feng , Yuguang Zhang , Ziqi Fu , Xiaoyang Wang

The development of cost-effective and durable electrocatalysts for the hydrogen evolution reaction (HER) is critical for advancing clean energy technologies. This study introduces a high-temperature shock (HTS) method for the rapid, scalable synthesis of high-entropy alloy (HEA) nanoparticles (PtRuIrMnFe/C). This non-equilibrium strategy, involving instantaneous heating to 600 °C followed by rapid cooling, facilitates the formation of ultra-fine (3–5 nm), compositionally uniform HEA nanoparticles with a single-phase face-centered cubic (fcc) structure. The resulting nanocrystals are encapsulated within a thin graphitic carbon shell, which enhances both electronic conductivity and structural stability. Electrochemical evaluations in an acidic electrolyte demonstrate that the PtRuIrMnFe/C catalyst exhibits exceptional HER performance, characterized by a low overpotential, minimal charge transfer resistance, and a large electrochemically active surface area. Remarkably, the catalyst shows outstanding long-term durability, maintaining stable operation for over 400 h at a constant current density. The superior performance is attributed to the synergistic interplay between various elements, which optimizes the hydrogen adsorption free energy, and the protective, conductive graphitic shell that prevents particle agglomeration and corrosion. This work validates the HTS method as a potent and scalable platform for designing advanced HEA electrocatalysts with superior activity and stability.

开发具有成本效益和耐用性的析氢反应电催化剂对于推进清洁能源技术至关重要。本研究介绍了一种高温冲击（HTS）方法，用于快速、可扩展地合成高熵合金（HEA）纳米颗粒（PtRuIrMnFe/C）。这种非平衡策略，包括瞬间加热到600°C，然后快速冷却，有利于形成超细（3-5 nm），组成均匀的HEA纳米颗粒，具有单相面心立方（fcc）结构。由此产生的纳米晶体被封装在一个薄的石墨碳壳中，这提高了电子导电性和结构稳定性。在酸性电解质中的电化学评价表明，PtRuIrMnFe/C催化剂表现出优异的HER性能，其特点是过电位低，电荷转移电阻最小，电化学活性表面积大。值得注意的是，该催化剂表现出出色的长期耐用性，在恒定电流密度下保持400小时以上的稳定运行。优异的性能归功于各种元素之间的协同相互作用，优化了氢的吸附自由能，以及防止颗粒团聚和腐蚀的保护性导电石墨壳。这项工作验证了HTS方法是一个有效的、可扩展的平台，用于设计具有优越活性和稳定性的先进HEA电催化剂。

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引用次数: 0

Insights into the GB effects on the self-diffusion, tensile deformation and pre-crack self-healing in UO2: Deep learning molecular dynamics simulations GB对UO2中自扩散、拉伸变形和预裂纹自愈的影响：深度学习分子动力学模拟

IF 7.1 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-10-01 DOI: 10.1016/j.pnsc.2025.08.002

Hongwei Bao , Zhen Guo , Danmin Peng , Zhipeng Sun , Yan Li , Yong Xin , Fei Ma

Understanding on the transportation and mechanical properties of polycrystalline UO₂ is critical for the development and design of high-performance nuclear fuels. However, the influence of grain boundaries (GBs) on the basic properties of UO₂ has not been fully understood. Herein, a high-accuracy deep learning (DP) potential is constructed for UO₂ based on a comprehensive database obtained from density functional theory (DFT) calculations. The melting, self-diffusion and phase transition of single-crystal UO₂ are studied by molecular dynamics (MD) simulations using DP potential, demonstrating the excellent predictive capabilities of the DP potential. The DP potential could also well describe the local atomic structure of symmetrical tilt grain boundaries (STGBs) in UO₂. UO₂ bi-crystals exhibit the pre-melting at GBs during heating process. The self-diffusion of O is enhanced by all the GBs, whereas the self-diffusion of U atoms is only enhanced by the dislocations in low-angle STGBs. Brittle fracture occurs in UO₂ bi-crystals at the lower temperatures (<1200 K), while amorphization takes place around GBs at high temperatures (>1200 K). This leads to brittle-to-ductile transition in polycrystalline UO₂ at high temperature. The self-healing of pre-cracks in UO₂ bi-crystals is determined by the diffusion of O and U atoms at high temperatures. The developed DP potential can be further applied in the studies on the microstructure design of UO₂ based nuclear fuels.

了解多晶UO2的输运和力学性能对高性能核燃料的开发和设计至关重要。然而，晶粒边界（GBs）对UO2基本性能的影响尚未完全清楚。本文基于密度泛函理论（DFT）计算得到的综合数据库，构建了UO2的高精度深度学习（DP）势。采用分子动力学方法研究了单晶UO2的熔化、自扩散和相变过程，证明了DP势的预测能力。DP势还可以很好地描述UO2中对称倾斜晶界（STGBs）的局部原子结构。UO2双晶在加热过程中表现出GBs预熔。O原子的自扩散被所有的GBs增强，而U原子的自扩散只被低角度STGBs中的位错增强。UO2双晶在较低温度（>1200 K）下发生脆性断裂，而在高温（>1200 K）下在gb附近发生非晶化。这导致多晶UO2在高温下脆性向延性转变。UO2双晶中预裂纹的自愈是由O和U原子在高温下的扩散决定的。开发的DP潜力可进一步应用于UO2基核燃料的微观结构设计研究。

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引用次数: 0

A versatile derivation approach to synthesize porous heterometallic phosphide and sulfide nanospheres for boosted oxygen evolution electrocatalysis 一种合成多孔异金属磷化物和硫化物纳米球的多功能衍生方法，用于促进析氧电催化

IF 7.1 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-10-01 DOI: 10.1016/j.pnsc.2025.09.008

Songtao Zhang , Yihao Chen , Wenhui Hu , Jinliang Hu , Shuai Cao , Meng Du , Qian Li , Zixia Lin , Chengang Pei , Yi Xu , Mingbo Zheng , Huan Pang

The oxygen evolution reaction (OER), a critical electrochemical process in water electrolysis, encounters significant challenges due to its complex multi-step mechanism involving electron transfer and the sequential adsorption/desorption of reaction intermediates. While noble metal oxides like RuO₂ and IrO₂ demonstrate exceptional OER catalytic properties, the instability and scarcity hinder their large-scale applications. Considering that the spherical structure can form an interconnected network of nanoparticles, it establishes continuous pathways for electron conduction. Hence, we utilized spherical CoFePBA as a precursor to synthesize porous heterometallic phosphide and sulfide nanospheres and investigated the effects of temperatures on their morphology and properties. The well-dispersed structure of transition metal phosphides and sulfides facilitates electron conduction more effectively. In alkaline solution, P-350 and S-350 derived from spherical CoFePBA achieved low overpotentials of 257 and 281 mV at 10 mA cm⁻². This study on transition metal electrocatalysts provides a foundation for the realization of efficient and economical electrolysis technology.

析氧反应（OER）是水电解过程中的一个关键电化学过程，由于其复杂的多步机制，包括电子转移和反应中间体的连续吸附/解吸，因此面临着重大挑战。虽然贵金属氧化物如RuO2和IrO2表现出优异的OER催化性能，但其不稳定性和稀缺性阻碍了它们的大规模应用。考虑到球形结构可以形成相互连接的纳米颗粒网络，它建立了连续的电子传导途径。因此，我们以球形CoFePBA为前驱体合成了多孔异质金属磷化物和硫化物纳米球，并研究了温度对其形貌和性能的影响。过渡金属磷化物和硫化物的良好分散结构更有效地促进了电子传导。在碱性溶液中，球形CoFePBA得到的P-350和S-350在10 mA cm−2下获得了257和281 mV的低过电位。过渡金属电催化剂的研究为实现高效经济的电解技术提供了基础。

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引用次数: 0

Polymer-ceramic multi-modified PE separators for lithium ion battery with enhanced durability and safety 锂离子电池用聚合物陶瓷多改性聚乙烯隔膜，增强耐用性和安全性

IF 7.1 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-10-01 DOI: 10.1016/j.pnsc.2025.07.001

Minqiang Sun , Congcong Xue , Chongyang Yang

As the demand for higher energy density and capacity intensifies, the focus on the next generation of lithium ion batteries (LIBs) increasingly emphasize long-term reliability and enhanced safety. This inevitably necessitates advancements in critical components, such as the separator. Herein, we design novel multi-modified polyethylene (PE) separators that incorporates Al₂O₃ ceramic, and polymethyl methacrylate (PMMA) and polyvinylidene difluoride-hexafluoropropylene (PVDF-HFP) polymer adhesive. The Al₂O₃ ceramics enhances wettability and thermal stability, while the PMMA and PVDF-HFP adhesives improve Li⁺ ion transport capability, interfacial contact, and safety. The MFA-PE separator, fabricated via an aqueous slurry containing Al₂O₃ particles, and PMMA and PVDF-HFP nanospheres through a simple one-step coating method, demonstrates strong adhesion property and a high Li⁺ transference number of 0.61. The FA-PE separator, produced using an organic slurry with Al₂O₃ particles and PVDF-HFP through one-step coating and phase separation technology, provides a high ionic conductivity and acceptable adhesion property. The LIBs fabricated with MFA-PE separator exhibit remarkable room temperature cycling performance, retaining 85.1 % of initial capacity after 1000 cycles, while the FA-PE separator-equipped cells demonstrate superior elevated temperature lifespan, preserving 76.8 % capacity over 1000 cycles under 45 °C. The NCM//graphite LIBs assembled with the designed MFA-PE and FA-PE separators pass the rigorous nail penetration, impact, and hot box tests. These modification strategies offer valuable guidance for the development of long-term stability and high safety LIBs.

随着人们对更高能量密度和容量的需求不断增强，下一代锂离子电池（LIBs）越来越强调长期可靠性和增强的安全性。这不可避免地需要对关键部件进行改进，例如分离器。在此，我们设计了一种新型的多改性聚乙烯（PE）分离器，它结合了Al2O3陶瓷、聚甲基丙烯酸甲酯（PMMA）和聚偏二氟乙烯-六氟丙烯（PVDF-HFP）聚合物粘合剂。Al2O3陶瓷提高了润湿性和热稳定性，而PMMA和PVDF-HFP胶粘剂提高了Li+离子传输能力、界面接触和安全性。采用简单的一步包膜法制备了Al2O3颗粒、PMMA和PVDF-HFP纳米球的水浆，制备了MFA-PE分离器，具有较强的粘附性能和较高的Li+转移数（0.61）。FA-PE分离器由Al2O3颗粒和PVDF-HFP组成的有机浆料通过一步涂层和相分离技术制成，具有高离子导电性和可接受的粘附性能。使用MFA-PE分离器制备的锂离子电池表现出优异的室温循环性能，在1000次循环后仍能保持85.1%的初始容量，而配备FA-PE分离器的电池表现出优异的高温寿命，在45°C下1000次循环后仍能保持76.8%的容量。与设计的MFA-PE和FA-PE分离器组装的NCM//石墨lib通过严格的钉子穿透，冲击和热箱测试。这些改良策略为开发长期稳定、高安全性的lib提供了有价值的指导。

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引用次数: 0

Fe/N Co-doped micro-mesoporous carbon nanofibers as high-performance catalysts for zinc-bromine flow batteries Fe/N共掺杂微介孔碳纳米纤维作为锌-溴液流电池的高性能催化剂

IF 7.1 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-10-01 DOI: 10.1016/j.pnsc.2025.07.008

Xu Wang , Qiang Zhang , Shuangjie Chu , Tong Qin , Qian Liu , Zhengzheng Li , Jun Wang , Jiayu Wan , Bo Mao

Zinc-bromine flow batteries (ZBFBs) are promising for sustainable energy storage due to their high energy density and cost-effectiveness. However, the sluggish kinetics of the Br²/Br⁻ redox reaction at the cathode limits their performance. Here, we developed Fe/N co-doped micro-mesoporous carbon nanofibers (Fe-N-CNFs) as a high-performance cathode catalyst. Synthesized via electrospinning Fe/Zn-ZIFs with PAN/PVP, followed by carbonization, the Fe-N-CNFs exhibited a hierarchical pore structure with a specific surface area of 1057 m² g⁻¹ and an average pore size of 2.5 nm. The optimized catalyst, doped with 4 wt% Fe, achieved an energy efficiency of 81 % at 80 mA cm⁻² and maintained a Coulombic efficiency of 98.4 % over 200 cycles. This work demonstrates the potential of integrating electrospinning with MOF-derived catalysts to enhance ZBFB performance, offering a scalable solution for high-efficiency energy storage systems.

锌溴液流电池（ZBFBs）由于其高能量密度和成本效益，在可持续储能方面具有很大的前景。然而，阴极上Br2/Br−氧化还原反应的缓慢动力学限制了它们的性能。在这里，我们开发了Fe/N共掺杂的微介孔碳纳米纤维（Fe-N- cnfs）作为高性能阴极催化剂。采用PAN/PVP静电纺丝法合成Fe/Zn-ZIFs，炭化后，Fe- n- cnfs具有分层孔结构，比表面积为1057 m2 g−1，平均孔径为2.5 nm。优化后的催化剂，掺铁量为4wt %，在80ma cm−2下的能量效率为81%，在200次循环中库仑效率保持在98.4%。这项工作证明了将静电纺丝与mof衍生催化剂相结合以提高ZBFB性能的潜力，为高效储能系统提供了可扩展的解决方案。

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引用次数: 0

Bulk-to-interface engineering of MoS2 via iodine doping: Synchronizing phase transition and interfacial chemistry for advanced sodium storage 碘掺杂二硫化钼的本体-界面工程：同步相变和界面化学用于先进的钠储存

IF 7.1 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-10-01 DOI: 10.1016/j.pnsc.2025.07.009

Zhengguang Fu , Xinyu Shao , Binghe Chen , Dingyao Guo , Yiming Xia , Xinhao Wei , Hongbin Hou , Jutao Sun

The development of high-performance anode materials for sodium-ion batteries (SIBs) remains a significant challenge due to the sluggish kinetics and structural instability caused by the large ionic radius of Na⁺. Here, we report iodine-doped MoS₂ (I-MoS₂) as an advanced anode material that simultaneously addresses bulk phase stability and interfacial dynamics. Through a facile doping strategy, iodine induces a partial 2H-to-1T phase transition in MoS₂, expanding the interlayer spacing and enhancing electronic conductivity. Moreover, surface-bound iodine promotes the formation of a robust NaF/NaI-rich solid-electrolyte interphase (SEI), which improves interfacial stability and ion transport kinetics. As a result, the I-MoS₂ anode delivers exceptional electrochemical performance, including a high reversible capacity (612.5 mAh g⁻¹ at 0.1 A g⁻¹), outstanding rate capability (410 mAh g⁻¹ at 20 A g⁻¹), and long-term cycling stability (91.4 % capacity retention after 2500 cycles). Kinetic analysis reveals a dominant capacitive charge storage mechanism, while post-cycling characterization confirms the formation of a thin and uniform SEI layer. When paired with a Na₃V₂(PO₄)₃ cathode, the full cell exhibits stable cycling over 1000 cycles with a capacity retention of ∼420 mAh g⁻¹. This work demonstrates that iodine doping is an effective strategy for synchronously optimizing bulk and interfacial properties in MoS₂, providing new insights into the design of high-performance electrode materials for SIBs.

高性能钠离子电池负极材料的开发仍然是一个重大挑战，因为Na+的大离子半径导致动力学缓慢和结构不稳定。在这里，我们报道了碘掺杂MoS2 （I-MoS2）作为一种先进的阳极材料，同时解决了体相稳定性和界面动力学。通过简单的掺杂策略，碘诱导二硫化钼从2h到1t的部分相变，扩大了层间距，提高了电子导电性。此外，表面结合的碘促进了坚固的富含NaF/ nai的固体电解质界面相（SEI）的形成，从而提高了界面稳定性和离子传输动力学。因此，I-MoS2阳极具有优异的电化学性能，包括高可逆容量（0.1 a g−1时612.5 mAh g−1），出色的倍率容量（20 a g−1时410 mAh g−1）和长期循环稳定性（2500次循环后容量保持率为91.4%）。动力学分析揭示了主要的电容性电荷存储机制，而循环后表征证实了薄而均匀的SEI层的形成。当与Na3V2(PO4)3阴极配对时，整个电池表现出超过1000次循环的稳定循环，容量保持为~ 420 mAh g−1。这项工作表明，碘掺杂是同步优化MoS2体积和界面性能的有效策略，为sib高性能电极材料的设计提供了新的见解。

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引用次数: 0

Rapid in situ synthesis of carbon nanotubes by methane diffusion flame for photothermal conversion 甲烷扩散火焰快速原位合成碳纳米管光热转化

IF 7.1 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Progress in Natural Science: Materials International

Pub Date : 2025-10-01 DOI: 10.1016/j.pnsc.2025.09.004

Hui Zhou, Liang Yan, Qian Xu, Run Hong, Zilong Liu, Huaqiang Chu

Utilizing the rapid in situ synthesis approach of methane diffusion flame, this study successfully constructs the Ni-Fe bimetallic catalyst system through the flame method, marking a breakthrough in the efficient and controlled synthesis of carbon nanotubes (CNTs) and their utility in photothermal conversion applications. By systematically varying the Ni/Fe molar ratios (1:0, 3:1, 2:1, 1:1), the synergistic catalytic mechanism of the bimetallic system is elucidated. The Ni contributes to high carbon solubility and enhances surface diffusion channels, while Fe optimizes carbon precipitation kinetics and mitigated metal agglomeration, collectively leading to increased CNT growth rates. Experimental evidence reveals that the Ni2Fe1 catalyst is synthesized in situ in the flame with a yield of 2.88 g/g_catalyst, representing a 119 % enhancement over that of a single Ni catalyst. High-resolution transmission electron microscope (HRTEM) and X-ray photoelectron spectroscopy (XPS) analyses confirm the formation of Ni-Fe alloys, which exhibit a reduction in CNT wall defects and a substantial increase in graphitization degree. Photothermal conversion performance testing indicates that the Ni2Fe1-CNTs coating achieves a temperature of 57.8 °C under 1 sun intensity, a 32.8 °C increase compared to the 304 stainless steel substrates, and maintains stable performance after 4 thermal cycles.

本研究利用甲烷扩散火焰的快速原位合成方法，通过火焰法成功构建了Ni-Fe双金属催化剂体系，标志着碳纳米管（CNTs）的高效可控合成及其在光热转化中的应用取得了突破。通过系统地改变Ni/Fe的摩尔比（1:0,3:1,2:1,1:1），阐明了双金属体系的协同催化机理。Ni有助于提高碳的溶解度并增强表面扩散通道，而Fe则优化了碳沉淀动力学并减轻了金属团聚，共同导致碳纳米管生长速度的提高。实验结果表明，原位火焰合成的Ni2Fe1催化剂的产率为2.88 g/g，比单一Ni催化剂的产率提高了119%。高分辨率透射电镜（HRTEM）和x射线光电子能谱（XPS）分析证实了Ni-Fe合金的形成，其碳纳米管壁缺陷减少，石墨化程度大幅提高。光热转换性能测试表明，Ni2Fe1-CNTs涂层在1个太阳强度下的温度达到57.8°C，比304不锈钢基体提高了32.8°C，并且在4个热循环后性能保持稳定。

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引用次数: 0