首页 > 最新文献

Matter最新文献

英文 中文
Extremely low thermal resistance in solid-state thermal pad from in situ graphite cracking for high-power artificial intelligence chip 用于大功率人工智能芯片的石墨原位开裂固态热垫的极低热阻
IF 18.9 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-16 DOI: 10.1016/j.matt.2025.102547
Pingjun Luo, Yisimayili Tuersun, Yixin Chen, Zexi Chen, Mengliang Li, Qi Huang, Xuechen Chen, Zuxin Chen, Sheng Chu
Thermal management is crucial for electronics, especially in the artificial intelligence era of high-power computing. Ultra-low thermal resistance materials are essential for graphics processing units (GPUs)/central processing units (CPUs) but face trade-offs between interfacial resistance, conductivity, mechanical compliance, and durability. Herein, we present a carbon-silicone composite pad with vertically aligned graphite flakes engineered through a two-step strategy: in situ crack formation via ultrasonic treatment followed by precision mechanical polishing. This approach synergistically realizes smooth interfaces and superior graphite deformability, thereby fundamentally addressing the intrinsic trade-off between bulk compressibility and interfacial contact integrity in vertically structured carbon-based thermal interface materials. The optimized composite shows outstanding performance (total thermal resistance = 1.8 mm2K/W at 50 psi, and bulk thermal conductivity exceeds 460 W/mK), high compressibility (45% strain at 50 psi), and fairly good thermal cycling stability. Our findings establish a transformative route toward next-generation thermal interface materials, offering a critical enabler for energy-efficient artificial intelligence hardware development.
热管理对电子产品至关重要,特别是在高功率计算的人工智能时代。超低热阻材料对于图形处理单元(gpu)/中央处理单元(cpu)来说是必不可少的,但它面临着界面电阻、导电性、机械顺应性和耐用性之间的权衡。在此,我们提出了一种碳硅复合材料衬垫,它具有垂直排列的石墨薄片,通过两步策略进行设计:通过超声波处理形成原位裂纹,然后进行精密机械抛光。这种方法协同实现了光滑的界面和优越的石墨可变形性,从而从根本上解决了垂直结构碳基热界面材料中体积可压缩性和界面接触完整性之间的内在权衡。优化后的复合材料表现出优异的性能(50psi时总热阻为1.8 mm2K/W,体导热系数超过460 W/mK)、高压缩性(50psi时应变为45%)和良好的热循环稳定性。我们的研究结果为下一代热界面材料的发展开辟了一条变革之路,为节能人工智能硬件的开发提供了关键的推动因素。
{"title":"Extremely low thermal resistance in solid-state thermal pad from in situ graphite cracking for high-power artificial intelligence chip","authors":"Pingjun Luo, Yisimayili Tuersun, Yixin Chen, Zexi Chen, Mengliang Li, Qi Huang, Xuechen Chen, Zuxin Chen, Sheng Chu","doi":"10.1016/j.matt.2025.102547","DOIUrl":"https://doi.org/10.1016/j.matt.2025.102547","url":null,"abstract":"Thermal management is crucial for electronics, especially in the artificial intelligence era of high-power computing. Ultra-low thermal resistance materials are essential for graphics processing units (GPUs)/central processing units (CPUs) but face trade-offs between interfacial resistance, conductivity, mechanical compliance, and durability. Herein, we present a carbon-silicone composite pad with vertically aligned graphite flakes engineered through a two-step strategy: <em>in situ</em> crack formation via ultrasonic treatment followed by precision mechanical polishing. This approach synergistically realizes smooth interfaces and superior graphite deformability, thereby fundamentally addressing the intrinsic trade-off between bulk compressibility and interfacial contact integrity in vertically structured carbon-based thermal interface materials. The optimized composite shows outstanding performance (total thermal resistance = 1.8 mm<sup>2</sup>K/W at 50 psi, and bulk thermal conductivity exceeds 460 W/mK), high compressibility (45% strain at 50 psi), and fairly good thermal cycling stability. Our findings establish a transformative route toward next-generation thermal interface materials, offering a critical enabler for energy-efficient artificial intelligence hardware development.","PeriodicalId":388,"journal":{"name":"Matter","volume":"3 1","pages":""},"PeriodicalIF":18.9,"publicationDate":"2025-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145760208","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Flexibility of oxygen sublattice and hydrogen bond length predict proton mobility in ternary metal oxides 氧亚晶格的柔韧性和氢键长度预测三元金属氧化物中质子的迁移率
IF 18.9 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-15 DOI: 10.1016/j.matt.2025.102568
Heejung W. Chung, Pjotrs Žguns, Ju Li, Bilge Yildiz
Discovery of fast proton conductors is important for advancing clean energy technologies. This requires a better understanding of proton migration mechanisms. While structural and chemical traits of ternary metal oxides have been related to proton migration barriers, lattice dynamical effects have not been resolved quantitatively. In this work, we introduce a phonon-based dynamic descriptor, termed “thermal O…O fluctuation,” quantifying the flexibility of donor-acceptor oxide-ion pairs. This enables direct comparison of O-sublattice flexibility across diverse metal oxides. Using regression models, we ranked physical descriptors as predictors of proton mobility, finding that H-bond length and thermal O…O fluctuation were the strongest descriptors. Further analysis revealed a critical O…O spacing of 2.4 Å at the transition state, which is easier to reach by more flexible donor-acceptor pairs, enabling facile proton transfer. Our results demonstrate oxygen sublattice flexibility as a dynamic descriptor and provide guiding principles for enhancing proton mobility in ternary metal oxides.
发现快质子导体对推进清洁能源技术具有重要意义。这需要对质子迁移机制有更好的理解。虽然三元金属氧化物的结构和化学特性与质子迁移势垒有关,但晶格动力学效应尚未定量解决。在这项工作中,我们引入了一个基于声子的动态描述符,称为“热O…O波动”,量化了供体-受体氧化离子对的灵活性。这使得可以直接比较不同金属氧化物的o -亚晶格灵活性。利用回归模型,我们将物理描述符列为质子迁移率的预测因子,发现氢键长度和热O…O波动是最强的描述符。进一步的分析表明,过渡态的临界O…O间距为2.4 Å,更灵活的给体-受体对更容易达到,从而使质子转移更容易。我们的研究结果证明了氧亚晶格灵活性作为一个动态描述符,并为提高三元金属氧化物中质子的迁移率提供了指导原则。
{"title":"Flexibility of oxygen sublattice and hydrogen bond length predict proton mobility in ternary metal oxides","authors":"Heejung W. Chung, Pjotrs Žguns, Ju Li, Bilge Yildiz","doi":"10.1016/j.matt.2025.102568","DOIUrl":"https://doi.org/10.1016/j.matt.2025.102568","url":null,"abstract":"Discovery of fast proton conductors is important for advancing clean energy technologies. This requires a better understanding of proton migration mechanisms. While structural and chemical traits of ternary metal oxides have been related to proton migration barriers, lattice dynamical effects have not been resolved quantitatively. In this work, we introduce a phonon-based dynamic descriptor, termed “thermal O…O fluctuation,” quantifying the flexibility of donor-acceptor oxide-ion pairs. This enables direct comparison of O-sublattice flexibility across diverse metal oxides. Using regression models, we ranked physical descriptors as predictors of proton mobility, finding that H-bond length and thermal O…O fluctuation were the strongest descriptors. Further analysis revealed a critical O…O spacing of 2.4 Å at the transition state, which is easier to reach by more flexible donor-acceptor pairs, enabling facile proton transfer. Our results demonstrate oxygen sublattice flexibility as a dynamic descriptor and provide guiding principles for enhancing proton mobility in ternary metal oxides.","PeriodicalId":388,"journal":{"name":"Matter","volume":"1 1","pages":""},"PeriodicalIF":18.9,"publicationDate":"2025-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145760293","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Colorful melanin-inspired pigments 五颜六色的黑色素激发的色素
IF 18.9 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-09 DOI: 10.1016/j.matt.2025.102533
Wanjie Bai, Haotian Li, Huijie Liu, Xianheng Wang, Zhipeng Gu, Ye Yang, Yiwen Li
Black color is the most typical feature of natural and synthetic melanins, which results from the complex packing and chemical disorder of the molecular structure within melanins. From nature and beyond nature, breaking through the black color boundary, expanding the scope of inherent functions, and establishing clearer structure-function relationship of melanin is necessary but hard due to the inherent chaos structure caused by random covalent coupling and supramolecular assembly. Herein, starting from melanin-inspired monomers, we chose and assembled typical organic acceptor molecules (TCNB/TCNQ) with melanin-inspired donor molecules to prepare a series of colorful melanin-inspired pigments through the co-crystallization strategy. The resulting colorful melanin-inspired pigments exhibited multiple colors and different rod-like morphologies compared with many melanin-like polymers. Particularly, green DHI/TCNQ powder presented excellent photothermal efficiency (∼69.8%) for antibacterial application. This work would provide new structure-function tailoring strategy toward the design of melanin-like polymers with highly ordered structures and desirable properties.
黑色是天然黑色素和合成黑色素最典型的特征,是黑色素内部分子结构复杂堆积和化学无序的结果。从自然出发,超越自然,突破黑色边界,扩大固有功能范围,建立更清晰的黑色素结构-功能关系是必要的,但由于随机共价偶联和超分子组装所导致的内在混沌结构是困难的。本文从激发黑色素的单体出发,选择典型的有机受体分子(TCNB/TCNQ)与激发黑色素的给体分子进行组装,通过共结晶策略制备了一系列多彩的激发黑色素色素。与许多类黑色素聚合物相比,由此产生的彩色黑色素激发色素具有多种颜色和不同的棒状形态。特别是,绿色DHI/TCNQ粉末在抗菌应用中具有优异的光热效率(~ 69.8%)。这项工作将为设计具有高度有序结构和理想性能的类黑色素聚合物提供新的结构-功能定制策略。
{"title":"Colorful melanin-inspired pigments","authors":"Wanjie Bai, Haotian Li, Huijie Liu, Xianheng Wang, Zhipeng Gu, Ye Yang, Yiwen Li","doi":"10.1016/j.matt.2025.102533","DOIUrl":"https://doi.org/10.1016/j.matt.2025.102533","url":null,"abstract":"Black color is the most typical feature of natural and synthetic melanins, which results from the complex packing and chemical disorder of the molecular structure within melanins. From nature and beyond nature, breaking through the black color boundary, expanding the scope of inherent functions, and establishing clearer structure-function relationship of melanin is necessary but hard due to the inherent chaos structure caused by random covalent coupling and supramolecular assembly. Herein, starting from melanin-inspired monomers, we chose and assembled typical organic acceptor molecules (TCNB/TCNQ) with melanin-inspired donor molecules to prepare a series of colorful melanin-inspired pigments through the co-crystallization strategy. The resulting colorful melanin-inspired pigments exhibited multiple colors and different rod-like morphologies compared with many melanin-like polymers. Particularly, green DHI/TCNQ powder presented excellent photothermal efficiency (∼69.8%) for antibacterial application. This work would provide new structure-function tailoring strategy toward the design of melanin-like polymers with highly ordered structures and desirable properties.","PeriodicalId":388,"journal":{"name":"Matter","volume":"13 1","pages":""},"PeriodicalIF":18.9,"publicationDate":"2025-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145711300","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Photo-magnetically actuated biohybrid microrobots 光磁驱动的生物混合微型机器人
IF 18.9 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-05 DOI: 10.1016/j.matt.2025.102531
Víctor de la Asunción-Nadal, Michaela Vojníková, Jack Latella, Chuanrui Chen, An-Yi Chang, Robert Kobrin, Zhenning Zhou, Yihan Che, Zbyněk Heger, Joseph Wang
Microscale biohybrid robots harnessing naturally motile cells offer autonomous long-lasting propulsion and biocompatibility. Yet, precisely directing and controlling their motion remains challenging. Here we demonstrate independent and simultaneous control over different types of biohybrid microrobots and complex motion pattern generation by combining multiple inputs into a single microrobot. We present a novel motion control mechanism for simultaneous phototactic and magnetotactic operation of biohybrid microrobots based on wild-type and blind Chlamydomonas reinhardtii (CR) modified with gelatin-Fe3O4 nanoparticles (gel-SPION). As a result, we developed methods to precisely control the motion of three distinct biohybrids with combined light and magnetic fields. By applying a combination of light and magnetic fields, different biohybrid strains can be sorted in different directions and controlled independently by decoupling the biohybrid magnetotactic and phototactic responses. This work lays the foundation for programmable, selective manipulation of biohybrid microrobots in variable environments, paving the way for advanced control strategies.
微型生物混合机器人利用自然运动细胞提供自主持久推进和生物相容性。然而,精确地指导和控制它们的运动仍然是一个挑战。在这里,我们展示了对不同类型的生物混合微型机器人的独立和同时控制,以及通过将多个输入组合到一个微型机器人中来生成复杂的运动模式。基于明胶- fe3o4纳米粒子修饰的野生型和盲型莱茵衣藻(CR) (gel-SPION),提出了一种同时进行趋光和趋磁操作的生物混合微型机器人运动控制机制。因此,我们开发了一种方法,通过结合光和磁场来精确控制三种不同的生物杂交体的运动。在光、磁场联合作用下,通过解耦生物杂交种的趋磁和趋光响应,可以实现不同生物杂交种在不同方向上的分选和独立控制。这项工作为可变环境下生物混合微型机器人的可编程、选择性操作奠定了基础,为先进的控制策略铺平了道路。
{"title":"Photo-magnetically actuated biohybrid microrobots","authors":"Víctor de la Asunción-Nadal, Michaela Vojníková, Jack Latella, Chuanrui Chen, An-Yi Chang, Robert Kobrin, Zhenning Zhou, Yihan Che, Zbyněk Heger, Joseph Wang","doi":"10.1016/j.matt.2025.102531","DOIUrl":"https://doi.org/10.1016/j.matt.2025.102531","url":null,"abstract":"Microscale biohybrid robots harnessing naturally motile cells offer autonomous long-lasting propulsion and biocompatibility. Yet, precisely directing and controlling their motion remains challenging. Here we demonstrate independent and simultaneous control over different types of biohybrid microrobots and complex motion pattern generation by combining multiple inputs into a single microrobot. We present a novel motion control mechanism for simultaneous phototactic and magnetotactic operation of biohybrid microrobots based on wild-type and blind <em>Chlamydomonas reinhardtii</em> (CR) modified with gelatin-Fe<sub>3</sub>O<sub>4</sub> nanoparticles (gel-SPION). As a result, we developed methods to precisely control the motion of three distinct biohybrids with combined light and magnetic fields. By applying a combination of light and magnetic fields, different biohybrid strains can be sorted in different directions and controlled independently by decoupling the biohybrid magnetotactic and phototactic responses. This work lays the foundation for programmable, selective manipulation of biohybrid microrobots in variable environments, paving the way for advanced control strategies.","PeriodicalId":388,"journal":{"name":"Matter","volume":"16 1","pages":"102531"},"PeriodicalIF":18.9,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145711304","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Matter that learns: A closed-AI-loop journey in energetic materials 学习的物质:能量材料的封闭ai循环之旅
IF 17.5 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-03 DOI: 10.1016/j.matt.2025.102530
Lei Zhang
This is a perspective on how energetic materials can learn—and teach. What began as a search for high-energy-density structure and high stability has grown into a dialogue among matter, models, and machines. Along this path, the ideas of dual aromaticity, multiscale thinking, and intelligent design converged into a single loop: letting materials guide their own discovery. This piece reflects on that journey and argues for a more reciprocal relationship between science and matter itself.
这是一个关于能量材料如何学习和教学的观点。一开始是对高能量密度结构和高稳定性的探索,现在已经发展成为物质、模型和机器之间的对话。沿着这条道路,双重芳香性、多尺度思维和智能设计的理念融合成一个单一的循环:让材料引导自己的发现。这篇文章反映了这段旅程,并主张在科学与物质本身之间建立一种更加互惠的关系。
{"title":"Matter that learns: A closed-AI-loop journey in energetic materials","authors":"Lei Zhang","doi":"10.1016/j.matt.2025.102530","DOIUrl":"10.1016/j.matt.2025.102530","url":null,"abstract":"<div><div>This is a perspective on how energetic materials can learn—and teach. What began as a search for high-energy-density structure and high stability has grown into a dialogue among matter, models, and machines. Along this path, the ideas of dual aromaticity, multiscale thinking, and intelligent design converged into a single loop: letting materials guide their own discovery. This piece reflects on that journey and argues for a more reciprocal relationship between science and matter itself.</div></div>","PeriodicalId":388,"journal":{"name":"Matter","volume":"8 12","pages":"Article 102530"},"PeriodicalIF":17.5,"publicationDate":"2025-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145658944","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Powering chemical hydrogen storage with photothermochemical catalysis 光热化学催化为化学储氢提供动力
IF 17.5 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-03 DOI: 10.1016/j.matt.2025.102480
Xinran Li , Cong Liu , Xiangkun Elvis Cao , Yang-Fan Xu , Xiangdong Yao
Hydrogen is considered a clean energy source that could replace fossil fuels in a future carbon-neutral society. However, persistent challenges associated with low hydrogen storage density and significant energy consumption inherent in conventional high-pressure gaseous and cryogenic liquid hydrogen storage remain. To this end, chemical hydrogen storage has emerged as a viable alternative. Furthermore, substantial progress has been achieved by incorporating renewable and potent light energy into hydrogen uptake and release processes, indicating a promising avenue for addressing the global energy crisis and enhancing the efficiency of hydrogen storage processes. This review comprehensively summarizes recent advancements in material design and their applications in various light-driven photothermochemical hydrogen storage systems. The roles and mechanisms of these materials are discussed in detail to underscore the recent progress. Ultimately, this paper aims to highlight existing challenges and propose future directions for research and application in light-advanced hydrogen storage.
氢被认为是一种清洁能源,可以在未来的碳中和社会中取代化石燃料。然而,传统的高压气体和低温液态氢储存方法所固有的低氢储存密度和巨大的能量消耗仍然存在挑战。为此,化学储氢已成为一种可行的替代方案。此外,将可再生和强大的光能纳入氢的吸收和释放过程已经取得了实质性进展,为解决全球能源危机和提高氢储存过程的效率指明了一条有希望的途径。本文综述了近年来材料设计及其在各种光热化学储氢系统中的应用。详细讨论了这些材料的作用和机制,以强调最近的进展。最后,本文旨在强调当前存在的挑战,并提出未来轻型先进储氢技术的研究和应用方向。
{"title":"Powering chemical hydrogen storage with photothermochemical catalysis","authors":"Xinran Li ,&nbsp;Cong Liu ,&nbsp;Xiangkun Elvis Cao ,&nbsp;Yang-Fan Xu ,&nbsp;Xiangdong Yao","doi":"10.1016/j.matt.2025.102480","DOIUrl":"10.1016/j.matt.2025.102480","url":null,"abstract":"<div><div>Hydrogen is considered a clean energy source that could replace fossil fuels in a future carbon-neutral society. However, persistent challenges associated with low hydrogen storage density and significant energy consumption inherent in conventional high-pressure gaseous and cryogenic liquid hydrogen storage remain. To this end, chemical hydrogen storage has emerged as a viable alternative. Furthermore, substantial progress has been achieved by incorporating renewable and potent light energy into hydrogen uptake and release processes, indicating a promising avenue for addressing the global energy crisis and enhancing the efficiency of hydrogen storage processes. This review comprehensively summarizes recent advancements in material design and their applications in various light-driven photothermochemical hydrogen storage systems. The roles and mechanisms of these materials are discussed in detail to underscore the recent progress. Ultimately, this paper aims to highlight existing challenges and propose future directions for research and application in light-advanced hydrogen storage.</div></div>","PeriodicalId":388,"journal":{"name":"Matter","volume":"8 12","pages":"Article 102480"},"PeriodicalIF":17.5,"publicationDate":"2025-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145659040","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
CGformer: Transformer-enhanced crystal graph network with global attention for material property prediction CGformer:具有全局关注的变压器增强晶体图网络,用于材料性能预测
IF 17.5 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-03 DOI: 10.1016/j.matt.2025.102380
Kehao Tao , Jiacong Li , Wei He , An Chen , Yanqiang Han , Feiming Huang , Fuqiang Huang , Jinjin Li
Crystal graph convolutional neural networks (CGCNNs) pioneered data-efficient property prediction by representing crystals as graphs. However, aggregating messages only between nearest-neighbor atoms makes their receptive field size limited, preventing it from capturing the long-range atomic correlations that govern ion transport in disordered lattices. We introduce CGformer, a transformer-enhanced crystal graph network whose global attention spans all atom-bond interactions, enabling accurate property prediction while excelling in complex lattices. We deployed CGformer on high-entropy Na-ion solid-state electrolytes (HE-NSEs), achieving a 25% reduction in mean absolute error compared to that with CGCNNs. We coupled CGformer with unsupervised clustering to scan 148,995 Na super ionic conductor-type (NASICON-type) dopants and pinpoint 18 compositions. Six top-ranked HE-NSEs were synthesized and verified, revealing room temperature conductivities up to 0.256 mS cm−1 and activation energies as low as 0.235 eV, surpassing the undoped analog. CGformer provides a transferable framework that can be extended to other advanced materials, including lithium electrode materials, multivalent-ion conductors, and thermoelectric materials.
晶体图卷积神经网络(CGCNNs)通过将晶体表示为图形,开创了数据高效的属性预测。然而,仅在最近邻的原子之间聚集信息会限制它们的接受场大小,从而阻止它捕获控制无序晶格中离子传输的远程原子相关性。我们介绍了CGformer,这是一种变压器增强的晶体图网络,其全局关注涵盖所有原子键相互作用,在复杂晶格方面表现出色的同时,能够准确预测属性。我们将CGformer部署在高熵na离子固态电解质(HE-NSEs)上,与cgcnn相比,平均绝对误差降低了25%。我们将CGformer与无监督聚类相结合,扫描了148,995种Na超离子导体型(nasicon型)掺杂剂,并确定了18种成分。合成并验证了6个顶级he - nse,室温电导率高达0.256 mS cm−1,活化能低至0.235 eV,超过了未掺杂的模拟物。CGformer提供了一个可转移的框架,可以扩展到其他先进材料,包括锂电极材料,多价离子导体和热电材料。
{"title":"CGformer: Transformer-enhanced crystal graph network with global attention for material property prediction","authors":"Kehao Tao ,&nbsp;Jiacong Li ,&nbsp;Wei He ,&nbsp;An Chen ,&nbsp;Yanqiang Han ,&nbsp;Feiming Huang ,&nbsp;Fuqiang Huang ,&nbsp;Jinjin Li","doi":"10.1016/j.matt.2025.102380","DOIUrl":"10.1016/j.matt.2025.102380","url":null,"abstract":"<div><div>Crystal graph convolutional neural networks (CGCNNs) pioneered data-efficient property prediction by representing crystals as graphs. However, aggregating messages only between nearest-neighbor atoms makes their receptive field size limited, preventing it from capturing the long-range atomic correlations that govern ion transport in disordered lattices. We introduce CGformer, a transformer-enhanced crystal graph network whose global attention spans all atom-bond interactions, enabling accurate property prediction while excelling in complex lattices. We deployed CGformer on high-entropy Na-ion solid-state electrolytes (HE-NSEs), achieving a 25% reduction in mean absolute error compared to that with CGCNNs. We coupled CGformer with unsupervised clustering to scan 148,995 Na super ionic conductor-type (NASICON-type) dopants and pinpoint 18 compositions. Six top-ranked HE-NSEs were synthesized and verified, revealing room temperature conductivities up to 0.256 mS cm<sup>−1</sup> and activation energies as low as 0.235 eV, surpassing the undoped analog. CGformer provides a transferable framework that can be extended to other advanced materials, including lithium electrode materials, multivalent-ion conductors, and thermoelectric materials.</div></div>","PeriodicalId":388,"journal":{"name":"Matter","volume":"8 12","pages":"Article 102380"},"PeriodicalIF":17.5,"publicationDate":"2025-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145659131","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Revealing charge carrier transport and selectivity losses in perovskite silicon tandem solar cells 揭示钙钛矿硅串联太阳能电池中载流子输运和选择性损失
IF 17.5 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-03 DOI: 10.1016/j.matt.2025.102404
Oliver Fischer , Alexander J. Bett , Yan Zhu , Christoph Messmer , Anh Dinh Bui , Patrick Schygulla , Andreas Fell , Oussama Er-Raji , Bhushan P. Kore , Florian Schindler , Daniel Macdonald , Ziv Hameiri , Stefan W. Glunz , Martin C. Schubert
Monolithic perovskite silicon tandem solar cells reach efficiencies beyond the theoretical efficiency limit of silicon single-junction solar cells. However, the metastability of perovskite materials and the increasing number of functional layers with increasing number of junctions undermines their stability. This poses a significant challenge for industrialization. To enable fast progress in performance and stability, advanced characterization methods tailored for metastable perovskite-based tandem solar cells are essential. This work discusses the Suns open-circuit voltage (Suns-VOC) and intensity-dependent photoluminescence (Suns-PL) imaging methods, which are specifically adapted to perovskite silicon tandem solar cells. Spatially resolved implied open-circuit voltage and implied fill factor images facilitate the localization of losses in large-area solar cells, supporting root-cause analysis of electrical limitations. Furthermore, subcell-resolved Suns-VOC measurements of the tandem solar cells allow charge carrier transport losses to be quantified. Combining both methods allows selectivity losses to be identified. Challenges of the methods are thoroughly analyzed, ensuring reliable measurements with the appropriate measurement routine.
单片钙钛矿硅串联太阳能电池的效率超过了硅单结太阳能电池的理论效率极限。然而,钙钛矿材料的亚稳性和功能层数量随结数量的增加而增加,破坏了它们的稳定性。这对工业化构成了重大挑战。为了实现性能和稳定性的快速发展,为亚稳钙钛矿基串联太阳能电池量身定制的先进表征方法是必不可少的。本工作讨论了太阳开路电压(太阳- voc)和强度相关光致发光(太阳- pl)成像方法,这是特别适用于钙钛矿硅串联太阳能电池。空间分辨的隐含开路电压和隐含填充因子图像有助于大面积太阳能电池损耗的定位,支持电气限制的根本原因分析。此外,亚电池分辨太阳voc测量串联太阳能电池允许电荷载流子输运损失被量化。结合这两种方法可以确定选择性损失。方法的挑战进行了彻底的分析,确保可靠的测量与适当的测量程序。
{"title":"Revealing charge carrier transport and selectivity losses in perovskite silicon tandem solar cells","authors":"Oliver Fischer ,&nbsp;Alexander J. Bett ,&nbsp;Yan Zhu ,&nbsp;Christoph Messmer ,&nbsp;Anh Dinh Bui ,&nbsp;Patrick Schygulla ,&nbsp;Andreas Fell ,&nbsp;Oussama Er-Raji ,&nbsp;Bhushan P. Kore ,&nbsp;Florian Schindler ,&nbsp;Daniel Macdonald ,&nbsp;Ziv Hameiri ,&nbsp;Stefan W. Glunz ,&nbsp;Martin C. Schubert","doi":"10.1016/j.matt.2025.102404","DOIUrl":"10.1016/j.matt.2025.102404","url":null,"abstract":"<div><div>Monolithic perovskite silicon tandem solar cells reach efficiencies beyond the theoretical efficiency limit of silicon single-junction solar cells. However, the metastability of perovskite materials and the increasing number of functional layers with increasing number of junctions undermines their stability. This poses a significant challenge for industrialization. To enable fast progress in performance and stability, advanced characterization methods tailored for metastable perovskite-based tandem solar cells are essential. This work discusses the <em>Suns</em> open-circuit voltage (<em>Suns</em>-<em>V</em><sub>OC</sub>) and intensity-dependent photoluminescence (<em>Suns</em>-PL) imaging methods, which are specifically adapted to perovskite silicon tandem solar cells. Spatially resolved implied open-circuit voltage and implied fill factor images facilitate the localization of losses in large-area solar cells, supporting root-cause analysis of electrical limitations. Furthermore, subcell-resolved <em>Suns</em>-<em>V</em><sub>OC</sub> measurements of the tandem solar cells allow charge carrier transport losses to be quantified. Combining both methods allows selectivity losses to be identified. Challenges of the methods are thoroughly analyzed, ensuring reliable measurements with the appropriate measurement routine.</div></div>","PeriodicalId":388,"journal":{"name":"Matter","volume":"8 12","pages":"Article 102404"},"PeriodicalIF":17.5,"publicationDate":"2025-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144906468","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Defect-induced Zn–Co pair active site for high-efficiency electrosynthesis of H2O2 缺陷诱导Zn-Co对活性位点的高效电合成H2O2
IF 17.5 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-03 DOI: 10.1016/j.matt.2025.102479
Yingnan Wang , Jinting Wu , Qian Zhang , Yingjun Tan , Jian Gao , Xiao-Dong Zhu , Yong-Chao Zhang , Shaojun Guo
Given the trade-off between activity and selectivity, typical pure CoSe2 catalyst that excels in the initial proton-coupled electron transfer, however, usually underperforms in the subsequent reaction process, leading to low performance for acidic 2e oxygen reduction reaction (ORR) to H2O2. Here, we report a class of Zn–Co pair active sites on the defected CoSe2-x. The Zn–Co pair active site can well modulate electronic structure for enhancing the adsorption and activation of ∗O2 to achieve high-selectivity electrosynthesis of H2O2. The surrounding Co site has the optimal Gibbs free energy for ∗OOH because of the d-p orbital hybridization between the near-end O (∗OOH) and Co near the Fermi level. The Zn1-Co/CoSe2-x catalyst achieves high selectivity of 95% under 0 V against a reversible hydrogen electrode (RHE) and the maximum productivity of 2.26 mol gcat.−1 h−1 at 250 mA cm−2, which is among the best non-noble metal-based compound catalysts in an acidic medium.
考虑到活性和选择性之间的权衡,典型的纯CoSe2催化剂在初始质子耦合电子转移中表现优异,但在随后的反应过程中通常表现不佳,导致酸性2e -氧还原反应(ORR)对H2O2的性能较低。在这里,我们报道了一类Zn-Co对活性位点在缺陷CoSe2-x上。Zn-Co对活性位点可以很好地调节电子结构,增强对* O2的吸附和活化,实现高选择性电合成H2O2。由于近端O(∗OOH)和Co在费米能级附近发生了d-p轨道杂化,因此周围的Co位具有最佳的吉布斯自由能。Zn1-Co/CoSe2-x催化剂在0 V条件下对可逆氢电极(RHE)具有95%的选择性,最大产率为2.26 mol gcat。在250 mA cm−2条件下- 1 h−1,是酸性介质中性能最好的非贵金属基化合物催化剂之一。
{"title":"Defect-induced Zn–Co pair active site for high-efficiency electrosynthesis of H2O2","authors":"Yingnan Wang ,&nbsp;Jinting Wu ,&nbsp;Qian Zhang ,&nbsp;Yingjun Tan ,&nbsp;Jian Gao ,&nbsp;Xiao-Dong Zhu ,&nbsp;Yong-Chao Zhang ,&nbsp;Shaojun Guo","doi":"10.1016/j.matt.2025.102479","DOIUrl":"10.1016/j.matt.2025.102479","url":null,"abstract":"<div><div>Given the trade-off between activity and selectivity, typical pure CoSe<sub>2</sub> catalyst that excels in the initial proton-coupled electron transfer, however, usually underperforms in the subsequent reaction process, leading to low performance for acidic 2e<sup>−</sup> oxygen reduction reaction (ORR) to H<sub>2</sub>O<sub>2</sub>. Here, we report a class of Zn–Co pair active sites on the defected CoSe<sub>2-<em>x</em></sub>. The Zn–Co pair active site can well modulate electronic structure for enhancing the adsorption and activation of ∗O<sub>2</sub> to achieve high-selectivity electrosynthesis of H<sub>2</sub>O<sub>2</sub>. The surrounding Co site has the optimal Gibbs free energy for ∗OOH because of the d-p orbital hybridization between the near-end O (∗OOH) and Co near the Fermi level. The Zn<sub>1</sub>-Co/CoSe<sub>2-<em>x</em></sub> catalyst achieves high selectivity of 95% under 0 V against a reversible hydrogen electrode (RHE) and the maximum productivity of 2.26 mol g<sub>cat.</sub><sup>−1</sup> h<sup>−1</sup> at 250 mA cm<sup>−2</sup>, which is among the best non-noble metal-based compound catalysts in an acidic medium.</div></div>","PeriodicalId":388,"journal":{"name":"Matter","volume":"8 12","pages":"Article 102479"},"PeriodicalIF":17.5,"publicationDate":"2025-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247539","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Dynamic lubricating interfaces for three-dimensional conformal wrapping of thin-film electronic devices 薄膜电子器件三维保形包覆的动态润滑界面
IF 17.5 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-03 DOI: 10.1016/j.matt.2025.102515
Feifei Lin , Heming Xu , Weiwei Zhao , Shujuan Liu , Qiang Zhao
Three-dimensional conformal electronics have garnered significant interest in biomedical devices, the Internet of Things, and aerospace applications. However, wrapping thin-film electronic devices onto three-dimensional surfaces can lead to residual stress and device failure. In this preview, we highlight a droplet-printing strategy that leverages lubricating interfaces for damage-free wrapping and controls the behavior of the three-phase contact line to achieve precise printing.
三维共形电子学在生物医学设备、物联网和航空航天应用中引起了极大的兴趣。然而,将薄膜电子器件包裹在三维表面上可能导致残余应力和器件失效。在这个预览中,我们重点介绍了一种液滴打印策略,该策略利用润滑界面进行无损伤包装,并控制三相接触线的行为,以实现精确打印。
{"title":"Dynamic lubricating interfaces for three-dimensional conformal wrapping of thin-film electronic devices","authors":"Feifei Lin ,&nbsp;Heming Xu ,&nbsp;Weiwei Zhao ,&nbsp;Shujuan Liu ,&nbsp;Qiang Zhao","doi":"10.1016/j.matt.2025.102515","DOIUrl":"10.1016/j.matt.2025.102515","url":null,"abstract":"<div><div>Three-dimensional conformal electronics have garnered significant interest in biomedical devices, the Internet of Things, and aerospace applications. However, wrapping thin-film electronic devices onto three-dimensional surfaces can lead to residual stress and device failure. In this preview, we highlight a droplet-printing strategy that leverages lubricating interfaces for damage-free wrapping and controls the behavior of the three-phase contact line to achieve precise printing.</div></div>","PeriodicalId":388,"journal":{"name":"Matter","volume":"8 12","pages":"Article 102515"},"PeriodicalIF":17.5,"publicationDate":"2025-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145658951","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
期刊
Matter
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1