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Inside Front Cover: Volume 4 Issue 5 内封面:第4卷第5期
IF 24.5 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-30 DOI: 10.1002/idm2.70016

Inside Front Cover: In the article of doi: 10.1002/idm2.12252, the evaporation of Mg leave vacancies, and is taken by Ag atoms which is unstable in their original sites. This helps to adjust carrier concentration without detriment carrier mobility and decrease the precipitation of Ag in the matrix for α-MgAgSb thermoelectric.

封面内:在doi: 10.1002/idm2.12252的文章中,Mg的蒸发留下了空位,并被在原始位置不稳定的Ag原子占据。这有助于在不损害载流子迁移率的情况下调节载流子浓度,并减少α-MgAgSb热电材料中Ag的析出。
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引用次数: 0
Inside Back Cover: Volume 4 Issue 5 封底内:第4卷第5期
IF 24.5 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-30 DOI: 10.1002/idm2.70017

Inside Back Cover: Graphite is a key structural component in some of the world's oldest nuclear reactors and many of the next-generation designs being built today. But it also condenses and swells in response to radiation. This paper, doi: 10.1002/idm2.70008, covered a link between properties of graphite and how the material behaves in response to radiation.

封底内页:石墨是世界上一些最古老的核反应堆和许多正在建造的下一代反应堆的关键结构部件。但它也会因辐射而凝结和膨胀。这篇论文,doi: 10.1002/idm2.70008,涵盖了石墨的性质和材料对辐射的反应之间的联系。
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引用次数: 0
Alternating Current Photovoltaic Effect Enhanced Heat-Resisting GaN Photodetector and Its Application in Highly Sensitive Wind Speed Sensing 交流光伏效应增强的耐热GaN光电探测器及其在高灵敏风速传感中的应用
IF 24.5 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-30 DOI: 10.1002/idm2.70014
Longyi Li, Lindong Liu, Gaosi Han, Andy Berbille, Xiongxin Luo, Yueming Zhang, Dengzhou Jia, Xinke Yu, Laipan Zhu, Zhong Lin Wang

Gallium nitride (GaN)-based ultraviolet (UV) photodetectors (PDs) are promising for advanced UV detection. However, the development faces challenges in cost reduction, process complexity, and the need for enhanced detection performance. In this study, an alternating current photovoltaic (AC PV) effect was identified in a GaN Schottky junction, achieving UV photoelectric responsivity improvements of up to two orders of magnitude and superior response speed compared to conventional photocurrent. Heating tests confirm PD stability at 600°C, attributable to the AC PV effect that maintains high response speed. Additionally, integrating a magnetically levitated structure with the UV PD enables a highly sensitive photoelectric wind speed sensor with an ultra-low startup wind speed of 0.5 m/s and a rapid response time of 25.3 ms. This study offers a promising approach for fabricating high-performance UV photoelectric devices and precise monitoring in challenging environments.

氮化镓(GaN)基紫外光电探测器(pd)是一种很有前途的先进紫外探测技术。然而,开发面临着成本降低、过程复杂性和对增强检测性能的需求方面的挑战。在这项研究中,在GaN肖特基结中发现了交流光伏(AC PV)效应,与传统光电流相比,实现了高达两个数量级的紫外光电响应率提高和卓越的响应速度。加热测试证实了PD在600°C下的稳定性,这是由于AC PV效应保持了高响应速度。此外,将磁悬浮结构与UV PD集成,使高灵敏度光电风速传感器具有0.5 m/s的超低启动风速和25.3 ms的快速响应时间。该研究为制造高性能紫外光电器件和在具有挑战性的环境中进行精确监测提供了一种有前途的方法。
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引用次数: 0
Outside Front Cover: Volume 4 Issue 5 外封面:第4卷第5期
IF 24.5 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-30 DOI: 10.1002/idm2.12191

Outside Front Cover: Brain-like artificial intelligence systems with multimodal fusion (e.g., visual, tactile, auditory) are poised to revolutionize biomimetic technology and humanmachine interfaces. However, the dependence on external circuitry to integrate these distinct sensory modalities introduces inefficiencies. A novel material group NbOX2 (X = Cl, Br, I) for integrating such brain-inspired multimodal perception and computation in a single device has been demonstrated. Further details can be found in doi: 10.1002/idm2.70012 by Yuan Li, Tianyou Zhai, and co-workers.

外封面:具有多模态融合(如视觉、触觉、听觉)的类脑人工智能系统将彻底改变仿生技术和人机界面。然而,依赖外部电路来整合这些不同的感觉模式会导致效率低下。一种新型材料组NbOX2 (X = Cl, Br, I)已经被证明可以将这种大脑启发的多模态感知和计算集成到一个设备中。进一步的细节可以在Yuan Li, Tianyou Zhai和同事的doi: 10.1002/idm2.70012中找到。
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引用次数: 0
Outside Back Cover: Volume 4 Issue 5 外封底:第4卷第5期
IF 24.5 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-30 DOI: 10.1002/idm2.70018

Outside Back Cover: The cover image of doi: 10.1002/idm2.70003 presents a bioactive magnesium silicate composite patch manufactured via electrospinning technology. This medical dressing features controllable degradation and local release of Mg2+ and SiO32−, effectively balancing inflammation while promoting neurovascularization. This innovative solution offers significant potential for clinical diabetic wound management, particularly in enhancing the recovery of the neurovascular network.

封底外:doi: 10.1002/idm2.70003的封面图片展示了一种通过静电纺丝技术制造的生物活性硅酸镁复合贴片。这种医用敷料具有可控降解和局部释放Mg2+和sio32 '的特点,在促进神经血管化的同时有效平衡炎症。这种创新的解决方案为临床糖尿病伤口管理提供了巨大的潜力,特别是在增强神经血管网络的恢复方面。
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引用次数: 0
Response to [Reassessing Machine Learning Techniques for Electrocatalyst Design: A Call for Robust Methodologies] 对[重新评估电催化剂设计中的机器学习技术:对稳健方法的呼吁]的回应
IF 24.5 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-24 DOI: 10.1002/idm2.70010
Yulan Gu, Jiangwei Zhang

This article is a response to the comment “Reassessing Machine Learning Techniques for Electrocatalyst Design: A Call for Robust Methodologies”. First, we clarify that the artificial neural network–SHapley Additive exPlanation (ANN–SHAP) method mentioned in the comment originates from the original work of Ding et al., which we only briefly summarized. In that study, nine different machine learning models were employed to predict the performance of proton exchange membrane fuel cells, among which the ANN model performed best. SHAP, together with multiple interpretability techniques (PDP, Tree-based Rule, EIX, etc.), was used to cross-validate feature importance, which was further compared with the results from manual feature selection, PCA, and t-distributed stochastic neighbor embedding, and complemented by experimental validation to reduce the risk of bias amplification. We agree with the commenter that model interpretability should be approached with caution, as the absence of a definitive “ground truth” for feature importance remains a current challenge. However, benchmarking SHAP explanations against domain knowledge or validating them using synthetic datasets can help reduce the risk of misinterpretation. Regarding the unsupervised methods suggested in the comment (FA and HVGS), we consider them to have exploratory value for certain data structures, but caution is needed when applying them to experimental systems involving nonlinearity or high noise.

本文是对评论“重新评估电催化剂设计的机器学习技术:对稳健方法的呼吁”的回应。首先,我们澄清评论中提到的人工神经网络- shapley加性解释(ANN-SHAP)方法来源于Ding等人的原著,我们只是简单总结。在该研究中,使用了9种不同的机器学习模型来预测质子交换膜燃料电池的性能,其中ANN模型表现最好。利用SHAP和多种可解释性技术(PDP、Tree-based Rule、EIX等)对特征重要性进行交叉验证,并与人工特征选择、主成分分析和t分布随机邻居嵌入的结果进行对比,并辅以实验验证,降低偏倚放大的风险。我们同意评论者的观点,即应该谨慎对待模型的可解释性,因为对于特征重要性缺乏明确的“基本事实”仍然是当前的挑战。然而,根据领域知识对SHAP解释进行基准测试或使用合成数据集验证它们可以帮助减少误解的风险。关于评论中提出的无监督方法(FA和HVGS),我们认为它们对某些数据结构具有探索价值,但在将它们应用于涉及非线性或高噪声的实验系统时需要谨慎。
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引用次数: 0
A Raising 2D Piezo-Ferro-Opto-Electronic Semiconductor for Brain-Inspired Multimodal Perception and Computation 用于脑启发多模态感知和计算的二维压电-铁光电半导体
IF 24.5 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-22 DOI: 10.1002/idm2.70012
Decai Ouyang, Mengqi Wang, Yue Yuan, Na Zhang, Yan Zhou, Jianshu Fu, Mario Lanza, Yuan Li, Tianyou Zhai

Multimodal perception, pivotal for artificial intelligence (AI) systems demanding real-time decision-making and environmental adaptability, might be significantly improved through two-dimensional (2D) piezo-ferro-opto-electronic (PFOE) semiconductors, like, NbOX2 (X = Cl, Br, I). Such improvement may enable in-sensor fusion of sense organ signals (e.g., vision, audition, gustation, and olfaction) within a single functional component, overcoming limitations of conventional discrete sensor architectures. Such function cohesion, combined with their recently uncovered properties, not only provides a robust foundation for expanding sensory modalities and developing novel mechanisms to establish an all-in-one multimodal perception platform, but also paves the way for multisensory-integrated artificial systems beyond human sensory systems. This single-component system employing such PFOE semiconductors substantially mitigates intermodule communication latency while boosting integration density of information, thereby circumventing persistent inefficiencies in AI hardware architectures for real-time applications, such as embodied robotics and immersive human–machine interfaces. This fusion of multimodal perception and computation, enabled by multiphysics coupling of 2D NbOX2, drives AI systems toward biological-grade efficiency while maintaining environmental adaptability, representing a critical leap toward autonomous intelligence operating in dynamic real-world settings.

对于需要实时决策和环境适应性的人工智能(AI)系统至关重要的多模态感知,可能会通过NbOX2 (X = Cl, Br, I)等二维(2D)压电-铁-光电(PFOE)半导体得到显著改善。这种改进可以在单个功能组件内实现感觉器官信号(例如,视觉、听觉、味觉和嗅觉)的传感器内融合,克服传统离散传感器架构的限制。这种功能内聚,结合它们最近发现的特性,不仅为扩展感觉模式和开发新机制以建立一体化多模态感知平台提供了坚实的基础,而且为超越人类感觉系统的多感觉集成人工系统铺平了道路。这种采用PFOE半导体的单组件系统大大减轻了模块间通信延迟,同时提高了信息的集成密度,从而避免了实时应用(如嵌入式机器人和沉浸式人机界面)中人工智能硬件架构的持续低效率。这种多模态感知和计算的融合,由2D NbOX2的多物理场耦合实现,推动人工智能系统向生物级效率发展,同时保持环境适应性,代表了在动态现实环境中自主智能操作的关键飞跃。
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引用次数: 0
In Situ-Engineered MOF/Polymer Hybrid Electrolyte With 3D Continuous Ion Channels for High-Voltage and Thermal-Resistant Lithium Metal Batteries 具有三维连续离子通道的MOF/聚合物混合电解质用于高压和耐热锂金属电池
IF 24.5 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-22 DOI: 10.1002/idm2.70005
Manxi Wang, Lijuan Tong, Shiwen Lv, Manxian Li, Jingyue Zhao, Xuan Li, Chuanping Li, Xiaochuan Chen, Junxiong Wu, Xiaoyan Li, Qinghua Chen, Yuming Chen

Composite quasi-solid-state electrolytes are pivotal for enabling high-energy-density lithium metal batteries (LMBs), yet their practical application is hindered by discontinuous ion transport, poor interfacial stability, and limited high-voltage endurance. Here, a universal in situ growth strategy is developed to construct a metal-organic framework (MOF)/polymer composite electrolyte (ZCPSE) with hierarchically ordered ion-conducting networks. The ultra-uniform MOF nanoparticles (e.g., ZIF-8) are anchored onto polymer nanofibers, creating abundant nanopores and Lewis acid sites that synergistically enhance Li⁺ transport and oxidative stability. The resulting ZCPSE exhibits unprecedented ionic conductivity (0.46 mS cm−1 at 25°C), a wide electrochemical window (5.15 V vs. Li/Li+), and exceptional mechanical strength (151.2 MPa, 4× higher than pristine polymer membrane). Theoretical simulations reveal that the 3D continuous MOF/polymer interface facilitates rapid Li+ dissociation and uniform flux distribution, endowing ZCPSE with a high Li+ transference number (0.74) and dendrite-free Li plating/stripping (2000 h in Li|Li symmetric cells). Practical applicability is demonstrated in Li|LiFePO4 cells (stable cycling at 25°C–100°C) and high-voltage Li|LiNi0.8Co0.1Mn0.1O2 full cells (4.5 V, 100 cycles with 99.2% capacity retention). This study provides a paradigm for designing MOF-based hybrid electrolytes with simultaneous ionic, mechanical, and interfacial optimization, paving the way for safe and high-energy LMBs.

复合准固态电解质是实现高能量密度锂金属电池(lmb)的关键,但其实际应用受到离子传输不连续、界面稳定性差和高压耐久性有限的阻碍。本文提出了一种通用的原位生长策略来构建具有分层有序离子传导网络的金属-有机框架(MOF)/聚合物复合电解质(ZCPSE)。超均匀的MOF纳米颗粒(如ZIF-8)被固定在聚合物纳米纤维上,产生丰富的纳米孔和Lewis酸位点,协同增强Li⁺的传输和氧化稳定性。所得的ZCPSE具有前所未有的离子电导率(25°C时为0.46 mS cm−1),宽电化学窗口(5.15 V vs. Li/Li+)和优异的机械强度(151.2 MPa,比原始聚合物膜高4倍)。理论模拟表明,三维连续的MOF/聚合物界面有利于Li+的快速解离和均匀的通量分布,使ZCPSE具有高的Li+转移数(0.74)和无枝晶的Li镀/剥离(在Li|Li对称电池中2000 h)。在Li|LiFePO4电池(在25°C - 100°C下稳定循环)和高压Li|LiNi0.8Co0.1Mn0.1O2全电池(4.5 V, 100次循环,容量保持率99.2%)中证明了实用性。该研究为同时进行离子、机械和界面优化的mof基混合电解质的设计提供了一个范例,为安全、高能的lmb铺平了道路。
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引用次数: 0
Device Physics and Architecture Advances in Tunnel Field-Effect Transistors 隧道场效应晶体管的器件物理和结构进展
IF 24.5 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-20 DOI: 10.1002/idm2.70011
Zehan Wu, Yifei Zhao, Fumei Yang, Jianhua Hao

The persistent pursuit of miniaturization and energy efficiency in semiconductor technology has driven the scaling of complementary metal-oxide-semiconductor field-effect transistors (CMOS FETs, i.e., the MOSFETs) to their physical limits. Conventional MOSFETs face intrinsic challenges, especially the Boltzmann limit that imposes a fundamental lower bound on the subthreshold swing (SS ≥ 60 mV dec−1 at room temperature). This limitation severely restricts voltage scaling and exacerbates static power dissipation. To overcome these bottlenecks, tunnel field-effect transistors (TFETs) have emerged as a promising post-CMOS alternative. The advantages of ultra-small SS well below the Boltzmann limit, as well as ultralow leakage currents, make TFETs ideal for low-power electronics and energy-efficient computing in the future information industry. However, its current development has encountered significant resistance to further performance improvement requirements; new breakthroughs have evolved to be based on interdisciplinary research that covers materials science, device technology, theoretical physics, and so on. Here, we provide a review on the design and development of TFET, which mainly describes the device physics model of tunnel junctions, and discusses the optimization direction of key parameters, the design direction of potential structures, and the development direction of the innovation system based on the device physics. Also, we visualize the framework for the figures of merit of TFET performance and further forecast the future applications of TFET.

半导体技术对小型化和能源效率的不懈追求,推动了互补金属氧化物半导体场效应晶体管(CMOS fet,即mosfet)的规模达到其物理极限。传统的mosfet面临着固有的挑战,特别是玻尔兹曼极限,它对亚阈值摆幅施加了基本的下界(室温下SS≥60 mV dec−1)。这种限制严重限制了电压缩放并加剧了静态功耗。为了克服这些瓶颈,隧道场效应晶体管(tfet)作为一种有前途的后cmos替代品出现了。超小型SS远低于玻尔兹曼极限的优点,以及超低的漏电流,使tfet成为未来信息产业中低功耗电子和节能计算的理想选择。然而,其目前的发展遇到了进一步改进性能要求的重大阻力;新的突破已经演变为基于跨学科的研究,涵盖材料科学,器件技术,理论物理等。本文对TFET的设计与发展进行了综述,主要描述了隧道结的器件物理模型,并讨论了关键参数的优化方向、势结构的设计方向以及基于器件物理的创新体系的发展方向。此外,我们还可视化了TFET性能优劣指标的框架,并进一步预测了TFET的未来应用。
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引用次数: 0
Reassessing Machine Learning Techniques for Electrocatalyst Design: A Call for Robust Methodologies 重新评估电催化剂设计中的机器学习技术:对稳健方法的呼唤
IF 24.5 Q1 CHEMISTRY, PHYSICAL Pub Date : 2025-09-12 DOI: 10.1002/idm2.70009
Yoshiyasu Takefuji
<p>Gu et al. conducted a comprehensive survey on the design and application of electrocatalysts powered by machine learning techniques [<span>1</span>]. They presented a novel approach that utilizes Artificial Neural Networks (ANN) in conjunction with the SHAP (SHapley Additive exPlanations) method to optimize membrane electrode assemblies. The ANN model demonstrated high accuracy in predicting key performance metrics, achieving root mean square error (RMSE) values of 43.536 mW cm<sup>−2</sup> for power density and 0.070 gPt kW<sup>−1</sup> for platinum utilization. Additionally, the SHAP method was employed to identify the most influential features affecting the target outputs, providing valuable insights into the optimization process [<span>1</span>].</p><p>However, this paper raises significant theoretical and empirical concerns regarding the use of ANN in conjunction with SHAP due to the model-specific nature of these techniques, which can lead to erroneous interpretations. It appears that Gu et al. may not fully grasp the fundamental principles underlying machine learning. In supervised machine learning models like ANN, two types of accuracy are crucial: target prediction accuracy and feature importance reliability. While target prediction accuracy can be validated against known ground truth values, the derived feature importances from models lack equivalent ground truth for validation. As a result, achieving high target prediction accuracy does not ensure that the feature importances are also reliable, since there are no established ground truth values for these features. The function call “explain = SHAP(model)” further indicates that SHAP may inherit and potentially amplify any biases present in the feature importances derived from the underlying model (ANN), leading to misleading interpretations of the results [<span>2-5</span>]. This highlights the importance of critically evaluating both the predictions and the interpretability provided by model-agnostic methods like SHAP.</p><p>In light of these concerns, the paper advocates for a more robust and multifaceted approach utilizing unsupervised machine learning techniques, such as Feature Agglomeration (FA) and Highly Variable Gene Selection (HVGS). FA is a dimensionality reduction technique that aggregates similar features, thereby simplifying the data set and reducing noise, which can enhance the interpretability of the model and the reliability of its predictions. HVGS focuses on selecting a subset of features that exhibit significant variability across samples, ensuring that only the most informative features are retained for further analysis.</p><p>Following the feature selection process, the authors suggest employing nonlinear nonparametric statistical methods, such as Spearman's correlation, to assess the relationships between features and outcomes. Spearman's correlation evaluates the strength and direction of the association between ranked variables, making it particularly useful
Gu等人对机器学习技术驱动的电催化剂[1]的设计和应用进行了全面调查。他们提出了一种利用人工神经网络(ANN)和SHapley加法解释(SHapley Additive explanation)方法来优化膜电极组件的新方法。人工神经网络模型在预测关键性能指标方面具有很高的准确性,功率密度的均方根误差(RMSE)值为43.536 mW cm - 2,铂利用率的均方根误差为0.070 gPt kW - 1。此外,采用SHAP方法识别影响目标输出的最具影响力的特征,为优化过程[1]提供了有价值的见解。然而,由于这些技术的模型特异性,本文提出了关于将人工神经网络与SHAP结合使用的重要理论和经验问题,这可能导致错误的解释。看来Gu等人可能没有完全掌握机器学习的基本原理。在像人工神经网络这样的监督机器学习模型中,两种类型的准确性是至关重要的:目标预测准确性和特征重要性可靠性。虽然目标预测精度可以根据已知的基础真值进行验证,但从模型中导出的特征重要度缺乏等效的基础真值进行验证。因此,实现高目标预测精度并不能确保特征重要性也是可靠的,因为这些特征没有确定的基础真值。函数调用“explain = SHAP(model)”进一步表明,SHAP可能继承并潜在地放大来自底层模型(ANN)的特征重要性中存在的任何偏差,从而导致对结果的误导性解释[2-5]。这突出了批判性地评估预测和可解释性的重要性,这些预测和可解释性是由像SHAP这样的模型不可知论方法提供的。鉴于这些担忧,本文主张采用一种更强大和多方面的方法,利用无监督机器学习技术,如特征聚集(FA)和高度可变基因选择(HVGS)。FA是一种聚类特征的降维技术,可以简化数据集并降低噪声,从而提高模型的可解释性和预测的可靠性。HVGS侧重于选择在样本中表现出显著变化的特征子集,确保仅保留最有信息的特征以供进一步分析。在特征选择过程之后,作者建议采用非线性非参数统计方法,如Spearman相关,来评估特征与结果之间的关系。斯皮尔曼相关性评估排名变量之间关联的强度和方向,使其在识别不一定遵循线性模式的单调关系时特别有用。随附的p值提供了统计显著性的度量,提供了对这些相关性可靠性的见解。通过利用这些先进的方法,研究人员可以更深入地了解影响电催化剂性能的关键因素,同时也降低了仅依赖特定模型解释的风险。Yoshiyasu Takefuji完成了这项研究并撰写了这篇文章。作者没有什么可报道的。作者没有什么可报道的。作者声明无利益冲突。
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引用次数: 0
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