Materials Today最新文献_第5页

Stiff-Soft synergistic aerogel fibers/nanonets triggered stretchable fiber/graphene oxide meta-aerogel for high-performance personal heating 硬-软协同气凝胶纤维/纳米触发可拉伸纤维/氧化石墨烯间气凝胶用于高性能个人加热

IF 22 1区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today

Pub Date : 2025-11-01 DOI: 10.1016/j.mattod.2025.09.003

Wei Zhang , Sai Wang , Xiaoyan Liu , Jianyong Yu , Shichao Zhang , Bin Ding

High-performance aerogel materials are highly desired for maintaining human thermal comfort in extremely cold environments. However, developing such materials that are both lightweight, mechanically robust, and capable of warming up human body remains a formidable challenge. Herein, a stretchable meta-aerogel with topological aerogel fibers/nanonetworks (nanonets) structure is directly synthesized via three-dimensional (3D) electro-spinning/netting self-assembly strategy. Manipulation of the deformation and phase transition of the charged liquids ejected from Taylor cone enables the formation of topological entangled dual-networks consisting of stiff aerogel fibers and soft self-assembled nanonets. The resulting meta-aerogel demonstrates remarkable structural stability with large stretchability (exceeding 2000 times its own weight), high resilience to 1000 cycles of 30 % tensile strain, 1000 cycles of 60 % compressive strain, and low temperature elastic recovery ability (−196 ℃). Benefiting from the hierarchical pores composed of aerogel fibers, nanonets, and pores between fibers, the meta-aerogel combines lightweight density (4.8 mg cm⁻³) and reliable low thermal conductivity (24.3 mW m⁻¹ K⁻¹). Moreover, this meta-aerogel integrates reproducible passive and active heating capabilities that can heat human skin by 4.1 ℃, making it an attractive candidate for all-day and indoor/outdoor personal heating. This work may provide a significant boost to the fibrous aerogel for various applications.

高性能气凝胶材料是在极冷环境中保持人体热舒适的理想材料。然而，开发这种既轻便，机械坚固，又能使人体暖和起来的材料仍然是一项艰巨的挑战。本文通过三维（3D）电纺丝/网状自组装策略，直接合成了具有拓扑气凝胶纤维/纳米网络（纳米网络）结构的可拉伸元气凝胶。通过控制泰勒锥喷射出的带电液体的变形和相变，可以形成由硬气凝胶纤维和软自组装纳米组成的拓扑纠缠双网络。所制得的元气凝胶具有显著的结构稳定性，具有较大的拉伸性能（超过自身重量的2000倍），在30%的拉伸应变下具有很高的1000次回弹性，在60%的压缩应变下具有很高的1000次回弹性，并且具有低温弹性恢复能力（- 196℃）。得益于气凝胶纤维、纳米纤维和纤维之间的孔隙构成的分层孔隙，元气凝胶具有轻密度（4.8 mg cm−3）和可靠的低导热系数（24.3 mW m−1 K−1）。此外，这种超气凝胶集成了可重复的被动和主动加热能力，可以加热人体皮肤4.1℃，使其成为全天和室内/室外个人供暖的有吸引力的候选者。这项工作可能为纤维气凝胶的各种应用提供重要的推动。

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引用次数: 0

Bio-inspired multi-component polymer electrolytes for wide-temperature solid-state lithium batteries 用于宽温度固态锂电池的仿生多组分聚合物电解质

IF 22 1区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today

Pub Date : 2025-11-01 DOI: 10.1016/j.mattod.2025.08.025

Qinghui Zeng , Yongteng Dong , Zhangqin Shi , Haoqin Han , Mingming Fang , Hongwei Song , Renhong Wang , Qianjin Cai , Guojun Meng , Hongjun Zhang , Yongfeng Lv , Rui Guo , Xiaoxue Wu , Xinyang Yue , Zheng Liang

Although solid-state lithium metal batteries (SSLMBs) are expected to dominate energy storage consumption, their demanding operation temperature (> 60 °C) is still a bottleneck. Herein, enlightened by the skeletal system, we design a multi-component polymer electrolyte (MCPE) with a highly coordinated performance in terms of Li-ion transport and mechanical properties, to construct a wide-temperature SSLMB. A lithiated perfluorosulfonic acid resin (Nafion-Li) integrates with the linear polyurethane (LPU) to form “bone–blood vessel” structures, while the “connective tissues” polyvinylidene fluoride interconnects the Nafion-Li/LPU to maintain structural stability. The synergism of the three polymer parts endows the elaborated MCPE with not only a fast ion-conductive pathway but also a mechanically tough framework capable of being stable under electrode deformation. An augmented ionic conductivity (8.84 × 10⁻⁴ S cm⁻¹ at 25 °C) and a desirable Young’s modulus (0.85 GPa) are simultaneously obtained. The working temperature range of the SSLMB using MCPE is impressive, maintaining 56.3 %, 83.7 %, and 97.6 % of 60 °C-derived reversible capacity at 0, 30, and 100 °C, respectively. The MCPE cell also stably operates with a high-voltage LiMnFePO₄ cathode for 600 cycles. The proposed strategy presents a viable insight into the development of a suitable polymer electrolyte for practical SSLMBs.

尽管固态锂金属电池（sslmb）有望主导储能消费，但其苛刻的工作温度（> 60°C）仍然是瓶颈。在此，受骨架系统的启发，我们设计了一种在锂离子传输和力学性能方面高度协调的多组分聚合物电解质（MCPE），以构建宽温度SSLMB。锂化全氟磺酸树脂（Nafion-Li）与线性聚氨酯（LPU）结合形成“骨-血管”结构，而“结缔组织”聚偏氟乙烯将Nafion-Li/LPU相互连接以保持结构稳定性。这三种聚合物的协同作用使所制备的MCPE不仅具有快速离子导电途径，而且具有在电极变形下保持稳定的机械韧性框架。离子电导率（25℃时为8.84 × 10−4 S cm−1）和理想的杨氏模量（0.85 GPa）同时增加。使用MCPE的SSLMB的工作温度范围令人印象深刻，分别在0、30和100°C下保持60°C可逆容量的56.3%、83.7%和97.6%。MCPE电池在高压LiMnFePO4阴极下稳定运行600次。提出的策略提出了一个可行的见解，为实际sslmb合适的聚合物电解质的发展。

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引用次数: 0

Harnessing microbial hydrogen for remodeling tumor microenvironment to potentiate collaborative chemo-immunotherapy 利用微生物氢重塑肿瘤微环境，增强协同化疗-免疫治疗

IF 22 1区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today

Pub Date : 2025-11-01 DOI: 10.1016/j.mattod.2025.08.022

Shi-Man Zhang, Ran Meng, Hong Chen, Hao Zhou, Xin-Chen Deng, Yan-Tong Lin, Wei-Qin Yao, Wei-Hai Chen, Xian-Zheng Zhang

Chemo-immunotherapy is fundamentally limited by insufficient tumor specificity and immunosuppressive tumor microenvironment (TME). Here, an engineered probiotic CB@PPH is elaborately constructed to remodel tumor microenvironment for potentiating collaborative chemo-immunotherapy. Specifically, phenylboronic acid-modified hyaluronic acid-coated paclitaxel (PTX)-loaded PCN-224 (PPH) nanoparticles are covalently conjugated with Clostridium butyricum (CB) to develop CB@PPH. Due to tumor hypoxia-tropism, CB@PPH facilitates the precise intratumoral delivery of PPH, and in situ kills tumor cells by inhibiting the depolymerization of tubulin. Moreover, the enriched CB@PPH at tumor tissues could persistently produce abundant microbial H₂. On the one hand, the generated intratumoral H₂ would induce severe mitochondrial destruction and disrupt redox homeostasis within tumor cells, collaboratively amplifying immunogenic cell death signaling. On the other hand, microbial H₂ acts as an immune modulatory agent, remodeling the immunosuppressive TME into a pro-immunogenic milieu that activate robust antitumor immune responses. In combination with αPD-1 therapy, the engineered CB@PPH significantly inhibits the growth of subcutaneous tumors, as well as effectively suppresses the progression of distant tumors with a tumor inhibition rate of 91.0 %. This work underscores the innovative potential of microbial H₂-assited chemo-immunotherapy, presenting a paradigm for the development of cancer therapeutic strategies.

化疗免疫治疗从根本上受到肿瘤特异性不足和免疫抑制肿瘤微环境（TME）的限制。在这里，我们精心构建了一种工程益生菌CB@PPH来重塑肿瘤微环境，以增强协同化疗-免疫治疗。具体来说，苯硼酸修饰的透明质酸包被紫杉醇（PTX）负载的PCN-224 （PPH）纳米颗粒与丁酸梭菌（CB）共价偶联，以制备CB@PPH。由于肿瘤的嗜氧性，CB@PPH促进PPH在肿瘤内的精确递送，并通过抑制微管蛋白的解聚在原位杀死肿瘤细胞。此外，肿瘤组织中富集的CB@PPH可以持续产生丰富的微生物H2。一方面，产生的瘤内H2会诱导严重的线粒体破坏，破坏肿瘤细胞内的氧化还原稳态，协同放大免疫原性细胞死亡信号。另一方面，微生物H2作为一种免疫调节剂，将免疫抑制的TME重塑为促免疫原环境，激活强大的抗肿瘤免疫反应。与αPD-1治疗联合，工程CB@PPH显著抑制皮下肿瘤的生长，并有效抑制远处肿瘤的进展，肿瘤抑制率为91.0%。这项工作强调了微生物h2辅助化学免疫治疗的创新潜力，为癌症治疗策略的发展提供了一个范例。

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引用次数: 0

Electric field-induced anomalous structural dynamics of nanodomains in BaTiO3-based relaxor ferroelectric thin films 电场诱导的batio3基弛豫铁电薄膜纳米畴的异常结构动力学

IF 22 1区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today

Pub Date : 2025-11-01 DOI: 10.1016/j.mattod.2025.09.013

Tae Yeon Kim , Gopinathan Anoop , Hyeon Jun Lee , Sanjith Unithrattil , JeOh Choi , Wooseon Choi , Jaegyu Kim , Jacob A. Zorn , Jiwon Yeom , Seong Min Park , HyunJin Joh , Su Yong Lee , Yasuhiko Imai , Seungbum Hong , Young-Min Kim , Long-Qing Chen , Hu Young Jeong , Ji Young Jo

Relaxor ferroelectrics (RFEs) exhibit ultra-high piezoresponse and unique frequency-dependent dielectric properties making them an attractive choice for next-generation electronic devices. However, the underlying mechanisms governing the structural evolution and dynamic behavior of polar nanodomains (PNDs) under an applied electric field remain a significant open question. Here, time-resolved X-ray microdiffraction technique with picosecond resolution is utilized to investigate the structural dynamics of PNDs in (111)-oriented Sn-doped BaTiO₃ (BTS) epitaxial RFE thin films. The findings demonstrate that the polarization of nanodomains rotates towards the out-of-plane direction, leading to modulation of d-spacing values as well as contributing to an ultra-high piezoelectric response. An anomalous polarity dependence in piezoelectric strain is observed, with a higher strain under a negative electric field. The strain response also shows a strong dependence on the pulse width/frequency of the electric field, along with an ultra-high piezoelectric strain of up to 1.2%, outperforming various Pb-based relaxor systems. Our findings reveal an intricate interplay between polarization rotation dynamics and electric field polarity in RFEs. These insights not only redefine our understanding of PND dynamics but also pave the way for the development of sustainable, high-performance Pb-free piezoelectrics, ultra-high energy density capacitors, nanoactuators and ultra-compact electronic devices.

弛豫铁电体（rfe）具有超高的压响应和独特的频率相关介电特性，使其成为下一代电子器件的有吸引力的选择。然而，控制极性纳米畴（PNDs）在外加电场下结构演变和动态行为的潜在机制仍然是一个重要的开放性问题。本文利用皮秒分辨率的时间分辨x射线微衍射技术研究了（111）取向sn掺杂BaTiO3 （BTS）外延RFE薄膜中pnd的结构动力学。研究结果表明，纳米畴的极化向面外方向旋转，导致d-间距值的调制，并有助于超高的压电响应。观察到压电应变的异常极性依赖，在负电场下具有更高的应变。应变响应还显示出对电场脉冲宽度/频率的强烈依赖，以及高达1.2%的超高压电应变，优于各种基于铅的弛豫系统。我们的发现揭示了rfe中极化旋转动力学和电场极性之间复杂的相互作用。这些见解不仅重新定义了我们对PND动力学的理解，而且为可持续、高性能无铅压电材料、超高能量密度电容器、纳米致动器和超紧凑电子设备的发展铺平了道路。

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引用次数: 0

In-situ formation of stable interface towards Li-in anode for halide solid-state electrolyte 卤化物固态电解质中Li-in阳极稳定界面的原位形成

IF 22 1区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today

Pub Date : 2025-11-01 DOI: 10.1016/j.mattod.2025.08.038

Jinzhao Fu , Wenting Jin , Songge Yang , Jiahui Hou , Zifei Meng , Guangchen Liu , Zeyi Yao , Zexin Wang , Zhenzhen Yang , Yu Zhong , Yan Wang

Halide-based solid-state electrolytes (SSEs) are promising candidates for next-generation all-solid-state lithium batteries (ASSLBs) due to their high ionic conductivity and chemical stability. However, their poor interfacial compatibility with lithium metal anode and Li-In alloy significantly hinder practical application due to the requirement for a protective interlayer. In this study, a novel approach to overcome this limitation is presented by introducing iron (Fe) doping into Li₃InCl₆ (LIC), which enables direct and stable contact with lithium-indium (Li-In) metal without a protective interlayer. Thermodynamic and computational analyses identified Fe³⁺ as a suitable dopant based on its similar reduction potential to In³⁺ and structural compatibility within the halide lattice. The synthesized 10 at. % Fe-doped LIC exhibits high phase purity, retained ionic conductivity, and notably improved interfacial stability. Full-cell tests using Fe-LIC achieve over 300 cycles with 80 % capacity retention. At the same time, symmetric Li-In/ Fe-LIC/ Li-In cells sustain over 500 h of operation, representing the first reported long-term cycling of LIC-based ASSLB without a protective interlayer. This work establishes Fe doping as an effective strategy to stabilize halide SSEs of In system against Li-In alloy, thereby simplifying cell architecture and advancing the development of safer, high-performance halide-based solid-state electrolytes.

卤化物基固态电解质（sse）由于其高离子电导率和化学稳定性而成为下一代全固态锂电池（asslb）的有希望的候选者。然而，由于需要保护中间层，它们与锂金属阳极和锂合金的界面相容性较差，严重阻碍了实际应用。在这项研究中，提出了一种克服这一限制的新方法，即在Li3InCl6 （LIC）中引入铁（Fe）掺杂，使其能够在没有保护中间层的情况下与锂铟（Li-In）金属直接稳定接触。热力学和计算分析表明，基于Fe3+与In3+相似的还原电位和卤化物晶格内的结构相容性，Fe3+是一种合适的掺杂剂。合成的10 at。掺铁LIC具有较高的相纯度，保留了离子电导率，并显著改善了界面稳定性。使用Fe-LIC的全电池测试实现了超过300次循环，容量保持率为80%。同时，对称的Li-In/ Fe-LIC/ Li-In电池可以维持超过500小时的工作时间，这是首次报道的没有保护层的基于Li-In的ASSLB长期循环。本研究确立了Fe掺杂是稳定In系统卤化物ssi对抗Li-In合金的有效策略，从而简化电池结构，推进更安全、高性能卤化物基固态电解质的发展。

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引用次数: 0

Size regulation strategy of confined catalyst in energy conversion and environmental remediation 密闭催化剂在能量转化和环境修复中的粒径调节策略

IF 22 1区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today

Pub Date : 2025-11-01 DOI: 10.1016/j.mattod.2025.08.035

Ruixue Xiong , Longbo Jiang , Jiayuan Li , Haoyun Chen , Guanjun Zeng , Hanbo Yu , Hou Wang , Yaoning Chen , Xingzhong Yuan

The pore size and interlayer spacing of the catalysts are determinants of its reaction performance. When the size changes, it promotes the electron transfer from the active center to the reactant molecules. This alteration also optimizes the adsorption and diffusion of reactant molecules and enables the regulation of the reaction pathway. Consequently, the activity and selectivity of the catalytic reaction are significantly enhanced. Starting from the construction methods of confined structures, such as confined skeleton configuration, confined cavity configuration, and confined molecular sieve configuration, this review will elaborate the size regulation strategies and analysis methods of catalysts, and analyze the size effects (including geometric effect, electronic effect, size exclusion effect) caused by the size change of confined microenvironment and its mechanism in energy conversion and environmental remediation applications. The effects of size effect on the physicochemical properties of reactant molecules, such as structure and behavior, catalytic performance of the system and reaction selectivity were analyzed. Finally, the challenges existing in the design of size control under confined catalysis are summarized and the future development direction is prospected. This review hopes to promote readers’ understanding of size effect and provide guidance for designing confined catalysts with higher reactivity and selectivity.

催化剂的孔径和层间间距是其反应性能的决定因素。当大小改变时，它促进电子从活性中心转移到反应物分子。这种改变也优化了反应物分子的吸附和扩散，使反应途径得以调控。因此，催化反应的活性和选择性显著提高。本文将从密闭骨架构型、密闭腔构型、密闭分子筛构型等密闭结构的构建方法出发，阐述催化剂的尺寸调节策略和分析方法，并分析催化剂的尺寸效应(包括几何效应、电子效应、密闭微环境粒径变化引起的粒径排斥效应及其在能量转化和环境修复中的应用机制。分析了尺寸效应对反应物分子的结构和行为、体系的催化性能和反应选择性等理化性质的影响。最后，总结了限制催化下粒径控制设计中存在的挑战，并展望了未来的发展方向。本文旨在促进读者对尺寸效应的理解，并为设计具有更高反应活性和选择性的受限催化剂提供指导。

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引用次数: 0

Single-crystalline materials: growth strategies, challenges, and prospects for futuristic semiconductors 单晶材料：未来半导体的成长策略、挑战与展望

IF 22 1区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today

Pub Date : 2025-11-01 DOI: 10.1016/j.mattod.2025.08.036

Muhammad Adnan , Vincent Tung , Phuong V. Pham , Raman Sankar

The rapid development of two-dimensional (2D) single-crystalline materials is transforming materials science, with significant implications for next-generation semiconductors, optoelectronics, and quantum computing. This review highlights recent advances in the synthesis and characterization of key 2D materials such as graphene, hexagonal boron nitride, and transition metal dichalcogenides. It focuses on novel growth methods—including chemical vapor deposition, molecular beam epitaxy, and contact-free annealing—emphasizing the production of large-area (111)-oriented single crystals. The importance of highly ordered metal substrates like copper, cobalt, nickel, platinum, and palladium for epitaxial growth is also discussed. These materials demonstrate outstanding charge carrier mobility, thermal conductivity, and tunable electronic properties, making them ideal for flexible electronics, high-performance sensors, and AI-related hardware. The review further outlines the primary challenges in large-scale synthesis, defect control, and integration with existing semiconductor platforms. Finally, it offers a forward-looking roadmap for translating 2D single-crystal research into industrial-scale technologies, providing a valuable perspective on scalable synthesis strategies and practical applications. This review stands out by combining technical depth with a focus on real-world relevance, positioning 2D single-crystalline materials at the forefront of modern electronic innovation.

二维（2D）单晶材料的快速发展正在改变材料科学，对下一代半导体、光电子学和量子计算具有重要意义。本文综述了石墨烯、六方氮化硼和过渡金属二硫族化合物等关键二维材料的合成和表征方面的最新进展。它侧重于新的生长方法-包括化学气相沉积，分子束外延和无接触退火-强调生产大面积（111）取向单晶。高度有序的金属衬底如铜、钴、镍、铂和钯对外延生长的重要性也进行了讨论。这些材料表现出出色的载流子迁移率、导热性和可调谐电子性能，使其成为柔性电子、高性能传感器和人工智能相关硬件的理想选择。综述进一步概述了大规模合成、缺陷控制和与现有半导体平台集成方面的主要挑战。最后，它为将二维单晶研究转化为工业规模技术提供了前瞻性的路线图，为可扩展的合成策略和实际应用提供了有价值的视角。这篇综述通过将技术深度与对现实世界相关性的关注相结合，将2D单晶材料定位在现代电子创新的前沿，脱颖而出。

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引用次数: 0

The role of ions in dental tissue treatment, repair, and remodelling: mechanisms, materials, and clinical implications 离子在牙组织治疗、修复和重塑中的作用：机制、材料和临床意义

IF 22 1区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today

Pub Date : 2025-11-01 DOI: 10.1016/j.mattod.2025.10.010

Seydanur Yücer , Begüm Sarac , Ali Can Özarslan , Fatih Ciftci

Ions play a pivotal role in dental tissue treatment, repair, and remodeling by influencing biochemical pathways and structural integrity. This review explores the multifaceted mechanisms through which ions interact with dental tissues at the molecular and cellular levels, highlighting their biochemical interactions that promote mineralization, antimicrobial defense, and tissue regeneration. Therapeutic ions are functionally classified based on their biological activities, such as remineralization enhancers, antimicrobial agents, and signaling modulators. Recent advances emphasize the synergistic effects of combining multiple ions, which can amplify therapeutic outcomes through complementary mechanisms. The integration of these ions into dental biomaterials has paved the way for innovative treatment options, improving material bioactivity, mechanical strength, and clinical efficacy. Clinical applications of ion-based therapies range from managing dentin hypersensitivity and caries prevention to advanced restorative procedures and bone regeneration. Despite promising results, several challenges remain, including controlling release kinetics, ensuring biocompatibility, and understanding long-term effects in complex oral environments. This review concludes by discussing future directions, emphasizing the development of smart ion-delivery systems and personalized therapeutic strategies to enhance dental care outcomes. Understanding the role of ions and their incorporation into dental materials is critical for advancing regenerative dentistry and improving patients’ quality of life.

离子通过影响牙组织的生化途径和结构完整性，在牙组织的治疗、修复和重塑中发挥着关键作用。本文综述了离子在分子和细胞水平上与牙组织相互作用的多方面机制，重点介绍了它们在促进矿化、抗菌防御和组织再生方面的生化相互作用。治疗离子根据其生物活性进行功能分类，如再矿化增强剂、抗菌剂和信号调节剂。最近的进展强调多种离子结合的协同作用，可以通过互补机制放大治疗效果。将这些离子整合到牙科生物材料中，为创新治疗选择铺平了道路，提高了材料的生物活性、机械强度和临床疗效。离子疗法的临床应用范围从处理牙本质过敏和预防龋齿到高级修复程序和骨再生。尽管结果令人鼓舞，但仍存在一些挑战，包括控制释放动力学，确保生物相容性，以及了解复杂口腔环境中的长期效应。本文最后讨论了未来的发展方向，强调智能离子输送系统和个性化治疗策略的发展，以提高牙科保健的效果。了解离子的作用及其与牙科材料的结合对于推进再生牙科和提高患者的生活质量至关重要。

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引用次数: 0

Minimising data needs to support the safer design of multicomponent nanomaterials – Application of grouping 最小化数据需求以支持更安全的多组分纳米材料设计——分组的应用

IF 22 1区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today

Pub Date : 2025-11-01 DOI: 10.1016/j.mattod.2025.08.024

Vicki Stone , Elisa Moschini , Fiona Murphy , Neil Hunt , Magda Blosi , Danail Hristozov , Helinor Johnston , Finlay Stenton , Alicja Mikolajczyk , Agnes G. Oomen , Otmar Schmid , Georgia Tsiliki , Andrea Brunelli , Elena Badetti , Ulla Vogel , Agnieszka Gajewicz-Skrętna , Wendel Wohlleben

There is an ongoing demand to develop options to reduce hazard testing of substances and materials on a case-by-case basis. Grouping approaches offer a way to share or re-use safety-related information between similar substances, providing insights that can inform the Safe and Sustainable by-Design (SSbD)² of new materials.

Here, an existing grouping hypothesis template for single-component nanomaterials (NMs)³ is expanded to facilitate systematic consideration of grouping for multicomponent nanomaterials (MCNMs)⁴ relevant to SSbD. Modifications to the template include additional information on a) the complexity of physical and chemical composition; b) the emerging properties driving the MCNM functionality; c) the potential for MCNM components to transform with different rates, leading to complex exposure scenarios; d) prioritisation and simplification of grouping decisions related to material properties (what they are), fate/toxicokinetics (where they go) and the hazard mechanisms (what they do).

Existing information and data are used to formulate a matrix of sub-hypotheses that individually relate one (or more) indicators of ‘what they are’ to a single indicator of either ‘where they go’ or ‘what they do’. The resultant sub-hypotheses are easier to assess than the all-encompassing over-arching hypothesis required for regulatory application of grouping. The estimated level of impact of each indicator is used to prioritise the sub-hypothesis assessment. Accepting or rejecting each prioritised sub-hypothesis is facilitated by the application of tiered testing strategies promoting the use of relevant existing data, new approach methodologies and machine learning-based models. A case study of SiO₂@ZnO MCNM is provided to demonstrate the template’s usefulness in an SSbD context.

目前需要逐案制定减少对物质和材料进行危险试验的备选办法。分组方法提供了一种在类似物质之间共享或重复使用安全相关信息的方法，为新材料的安全和可持续设计（SSbD）2提供了见解。本文对现有的单组分纳米材料（NMs）3的分组假设模板进行了扩展，以方便系统地考虑与SSbD相关的多组分纳米材料（MCNMs）4的分组。对模板的修改包括以下附加信息：a)物理和化学成分的复杂性；b)驱动MCNM功能的新兴特性；c) MCNM组件以不同速率转换的可能性，导致复杂的暴露场景；D)与材料特性（它们是什么）、命运/毒性动力学（它们去哪里）和危害机制（它们做什么）相关的分组决策的优先级和简化。现有的信息和数据被用来制定子假设矩阵，这些子假设分别将“他们是什么”的一个（或多个）指标与“他们去哪里”或“他们做什么”的单个指标联系起来。由此产生的子假设比分组监管应用所需的无所不包的总体假设更容易评估。每个指标的估计影响水平被用来优先考虑子假设评估。分层测试策略的应用促进了相关现有数据、新方法方法和基于机器学习的模型的使用，从而促进了接受或拒绝每个优先级子假设。提供了一个SiO2@ZnO MCNM的案例研究，以演示该模板在SSbD上下文中的有用性。

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引用次数: 0

Unraveling the thermodynamics and mechanism behind the lowering of direct reduction temperatures in oxide mixtures 揭示了氧化物混合物中直接还原温度降低背后的热力学和机制

IF 22 1区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Today

Pub Date : 2025-11-01 DOI: 10.1016/j.mattod.2025.08.021

Shiv Shankar , Barak Ratzker , Alisson Kwiatkowski da Silva , Tim M. Schwarz , Hans Brouwer , Baptiste Gault , Yan Ma , Dierk Raabe

Hydrogen-based direct reduction offers a sustainable pathway to decarbonize the metal production industry. However, stable metal oxides, like Cr₂O₃, are notoriously difficult to reduce, requiring extremely high temperatures (above 1300 °C). Herein, we explain how reducing mixed oxides can be leveraged to lower hydrogen-based reduction temperatures of stable oxides and produce alloys in a single process. Using a newly developed thermodynamic framework, we predict the precise conditions (oxygen partial pressure, temperature, and oxide composition) needed for co-reduction. We showcase this approach by reducing Cr₂O₃ mixed with Fe₂O₃ at 1100 °C, significantly lowering reduction temperatures (by ∼200 °C). Our model and post-reduction structural and chemical analyses elucidate that the temperature-lowering effect is driven by the lower chemical activity of Cr in the Fe-Cr solid solution phase. This strategy achieves low-temperature co-reduction of mixed oxides, dramatically reducing energy consumption and CO₂ emissions, while unlocking transformative pathways toward sustainable alloy design.

氢基直接还原为金属生产工业脱碳提供了一条可持续的途径。然而，稳定的金属氧化物，如Cr2O3，是出了名的难以还原，需要极高的温度（1300°C以上）。在这里，我们解释了如何利用还原混合氧化物来降低稳定氧化物的氢基还原温度，并在单一过程中生产合金。使用新开发的热力学框架，我们预测了共还原所需的精确条件（氧分压，温度和氧化物成分）。我们通过在1100°C下还原Cr2O3与Fe2O3的混合物来展示这种方法，显著降低了还原温度（约200°C）。我们的模型和还原后的结构和化学分析表明，降低温度的效果是由Fe-Cr固溶体中Cr的较低化学活性驱动的。这一策略实现了混合氧化物的低温共还原，显著降低了能源消耗和二氧化碳排放，同时开启了可持续合金设计的变革之路。

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