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Interface engineering for minimizing trapped charge density in β-Ga₂O₃ Schottky barrier diodes for high-performance power devices 最大限度降低用于高性能功率器件的 β-Ga₂O₃ 肖特基势垒二极管中的陷落电荷密度的界面工程技术
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 DOI: 10.1016/j.mtphys.2024.101605
Shivani , Atul G. Chakkar , Pradeep Kumar , Mukesh Kumar
Gallium oxide (Ga2O3), with its ultra-wide bandgap and high breakdown voltage, has emerged as a leading candidate for next-generation power devices. The performance and the Baliga figure-of-merit for power devices critically depend on breakdown voltage sustained by Schottky contact of metal with ultra-wide gap materials. However, high-quality Schottky contacts with Ga2O3 presents a significant challenge due to the presence of surface defects and formation of metal induced mid-gap defects states in Ga2O3. In this study, we investigate the electrical properties and defects at the interface between Ni metal and β-Ga₂O₃ thin films. Additionally, a 20 nm MgO thin films with various oxygen contents were deposited on β-Ga2O3 using radio-frequency magnetron sputtering and Ni/MgO/β-Ga2O3 metal-insulator-semiconductor Schottky diodes were fabricated. The frequency dependent C-V characteristic and surface-sensitive XPS depth profile is employed to study the interface of Ni/Ga2O3 and Ni/MgO/Ga2O3 Schottky barrier diodes. Our results show that the Ni/MgO/Ga₂O₃ Schottky barrier diode with 66 % O₂ in the MgO thin film during synthesis attains a barrier height of 0.87 eV. Subsequent post-metallization annealing at 300 °C in an Ar ambient for 30 min enhances the barrier height up to 1.1 eV. Also, a reduced on-resistance of 11.65 mΩ cm2 and a lower on-voltage of 0.3V was obtained after annealing in Ar. The frequency dependent C-V characteristic results show no dispersion in capacitance for the annealed sample which signify the passivation of interface defects density (Διτ) and oxide charges density (Nf) in the dielectric layer (MgO). The minimum value of Dit and Nf achieved for the sample having highest barrier height (1.1eV) are 5.41 × 1011/eV/cm2 and 2.91 × 1010/cm3, respectively. This study establishes a vigorous foundation for the expanded utilization of Ga2O3 in power electronics devices, emphasizing the vital role of interface engineering.
氧化镓(Ga2O3)具有超宽带隙和高击穿电压,已成为下一代功率器件的主要候选材料。功率器件的性能和巴利加功勋值关键取决于金属与超宽带隙材料的肖特基接触所维持的击穿电压。然而,由于 Ga2O3 中存在表面缺陷和金属诱导的中隙缺陷态的形成,与 Ga2O3 形成高质量的肖特基接触是一项重大挑战。在本研究中,我们研究了金属镍和β-Ga₂O₃薄膜界面的电特性和缺陷。此外,我们还利用射频磁控溅射技术在 β-Ga2O3 上沉积了不同氧含量的 20 nm MgO 薄膜,并制作了 Ni/MgO/ β-Ga2O3 金属绝缘体-半导体肖特基二极管。利用频率相关的 C-V 特性和表面敏感的 XPS 深度曲线研究了 Ni/Ga2O3 和 Ni/MgO/Ga2O3 肖特基势垒二极管的界面。研究结果表明,镍/氧化镁/镓₂O₃肖特基势垒二极管在合成过程中氧化镁薄膜中含有 66% 的 O₂,其势垒高度为 0.87 eV。随后在 300ºC 的氩气环境中进行 30 分钟的金属化后退火,可将势垒高度提高到 1.1 eV。此外,在氩气环境中退火后,导通电阻降低到 11.65 mΩ-cm2,导通电压降低到 0.3V。与频率相关的 C-V 特性结果显示,退火样品的电容没有分散,这表明介电层(氧化镁)中的界面缺陷密度(Διτ)和氧化物电荷密度(Nf)已被钝化。在具有最高势垒高度(1.1eV)的样品中,Dit 和 Nf 的最小值分别为 5.41×1011 /eV/cm2 和 2.91×1010 /cm3。这项研究为扩大 Ga2O3 在电力电子器件中的应用奠定了坚实的基础,同时强调了界面工程的重要作用。
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引用次数: 0
Subwavelength broadband light-harvesting metacoating for infrared camouflage and anti-counterfeiting empowered by inverse design 基于反设计的亚波长宽带光捕获稳态红外伪装和防伪技术
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 DOI: 10.1016/j.mtphys.2024.101614
Dongjie Zhou , Jinguo Zhang , Liyan Li , Chong Tan , Zongkun Zhang , Yan Sun , Lei Zhou , Ning Dai , Junhao Chu , Jiaming Hao
Broadband mid-infrared (MIR) light harvesting is critical for a wide range of applications, including thermophotovoltaic conversion, thermal sensing and imaging, infrared camouflage and anti-counterfeiting technologies. In this study, we present the design and experimental validation of a deep-subwavelength broadband MIR light-harvesting metacoating (MMC), optimized through a genetic algorithm (GA)-based inverse design approach. The strength of this approach lies in its ability to automate and optimize the complex multilayer structure, encompassing both material selection and structural thickness, thereby achieving unparalleled performance in broadband MIR light absorption, with an average absorbance of approximately 0.85 across the 3–13 μm spectral range and nearly perfect absorption within the 4–12 μm range. This exceptional performance is attributed to strong electromagnetic localization within its multilayer configuration, facilitating efficient energy dissipation via high-loss materials such as bismuth and titanium. Notably, the MMC exhibits robust performance with respect to angle and polarization variations, maintaining high absorbance even at incident angles up to 70°. Its large-area fabrication capabilities and compatibility with various substrates further enhance its practical applicability. Two specific applications, long-wavelength infrared camouflage and anti-counterfeiting, highlight its potential for real-world deployment. In these applications, the MMC seamlessly integrates into high-emission environments and enables the modulation of patterned infrared emission, providing a lithography-free, cost-effective solution compared to conventional methods relying on artificially engineered structures. This work underscores the versatility of the developed MMC for a diverse array of MIR applications, ranging from camouflage technologies to advanced security measures.
宽带中红外(MIR)光收集对于广泛的应用至关重要,包括热光伏转换、热传感和成像、红外伪装和防伪技术。在这项研究中,我们提出了一种深亚波长宽带MIR光收集亚镀膜(MMC)的设计和实验验证,并通过基于遗传算法(GA)的逆向设计方法进行了优化。这种方法的优势在于它能够自动化和优化复杂的多层结构,包括材料选择和结构厚度,从而在宽带MIR光吸收方面实现无与伦比的性能,在3-13 μm光谱范围内的平均吸光度约为0.85,在4-12 μm范围内的吸光度接近完美。这种卓越的性能归功于其多层结构中的强电磁定位,促进了高损耗材料(如铋和钛)的高效能量耗散。值得注意的是,MMC在角度和偏振变化方面表现出强大的性能,即使在入射角高达70°时也保持高吸光度。它的大面积制造能力和与各种基板的兼容性进一步增强了它的实用性。两个具体的应用,长波红外伪装和防伪,突出了其在现实世界中部署的潜力。在这些应用中,MMC可以无缝集成到高发射环境中,并实现红外发射的调制,与依赖人工工程结构的传统方法相比,提供了一种无光刻、经济高效的解决方案。这项工作强调了开发的MMC在多种MIR应用中的多功能性,从伪装技术到先进的安全措施。
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引用次数: 0
Giant Nernst angle in self-intercalated van der Waals magnet Cr1.25Te2 自嵌层范德华磁体Cr1.25Te2中的巨能角
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 DOI: 10.1016/j.mtphys.2024.101627
Shuvankar Gupta , Olajumoke Oluwatobiloba Emmanuel , Yasemin Ozbek , Mingyu Xu , Weiwei Xie , Pengpeng Zhang , Xianglin Ke
The discovery of two-dimensional van der Waals (vdW) magnetic materials has propelled advancements in technological devices. The Nernst effect, which generates a transverse electric voltage in the presence of a longitudinal thermal gradient, shows great promise for thermoelectric applications. In this work, we report the electronic and thermoelectric transport properties of Cr1.25Te2, a layered self-intercalated vdW material which exhibits an antiferromagnetic ordering at TN ∼191 K followed by a ferromagnetic-like phase transition at TC ∼171 K. We observe a prominent topological Hall effect and topological Nernst effect between TC and TN, which is ascribable to non-coplanar spin textures inducing a real-space Berry phase due to competing ferromagnetic and antiferromagnetic interactions. Furthermore, we show that Cr1.25Te2 exhibits a substantial anomalous Nernst effect, featuring a giant Nernst angle of ∼37 % near TC and a maximum Nernst thermoelectric coefficient of 0.52 μV/K. These results surpass those of conventional ferromagnets and other two-dimensional vdW materials, highlighting Cr1.25Te2 as a promising candidate for advanced thermoelectric devices based on the Nernst effect.
二维范德华(vdW)磁性材料的发现推动了技术设备的进步。在存在纵向热梯度的情况下产生横向电压的恩斯特效应为热电应用带来了巨大的前景。在这项工作中,我们报告了 Cr1.25Te2 的电子和热电传输特性。Cr1.25Te2 是一种层状自迭代 vdW 材料,在 TN ∼ 191 K 时表现出反铁磁有序,随后在 TC ∼ 171 K 时出现铁磁样相变。我们观察到在 TC 和 TN 之间存在突出的拓扑霍尔效应和拓扑奈恩斯特效应,这可归因于非共面自旋纹理在铁磁和反铁磁相互作用的竞争下诱导出实空贝里相。此外,我们还发现,Cr1.25Te2 表现出巨大的反常诺恩特效应,在 TC 附近的巨大诺恩特角为 ∼37% ,最大诺恩特热电系数为 0.52 μV/K。这些结果超越了传统铁磁体和其他二维 vdW 材料,凸显了 Cr1.25Te2 作为基于 Nernst 效应的先进热电器件候选材料的前景。
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引用次数: 0
Research progress of two-dimensional materials in the field of electromagnetic shielding 二维材料在电磁屏蔽领域的研究进展
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 DOI: 10.1016/j.mtphys.2024.101617
Yichen Yang , Zhe Liu , Yajing Wang , Zhihui Zhang , Xiuchen Wang
With the growing issue of electromagnetic pollution in modern society, the development of novel and efficient electromagnetic shielding materials has become crucial. This paper examines two-dimensional materials, specifically graphene, two-dimensional transition metal carbonitride (MXenes), and Transition metal dichalcogenides (TMDs). This paper explores the potential applications of two-dimensional materials in electromagnetic shielding, providing a comprehensive overview of their unique properties and synthesis methods. It thoroughly examines strategies for optimizing the performance of composite materials and identifies the limitations of existing technologies. Based on these findings, the paper reflects future trends in electromagnetic shielding technologies for two-dimensional materials, with a focus on advancing the development of thinner, lighter, more efficient, and environmentally sustainable shielding solutions.
随着现代社会电磁污染问题的日益严重,开发新型、高效的电磁屏蔽材料已变得至关重要。本文研究了二维材料,特别是石墨烯,二维过渡金属碳氮化物(MXenes)和过渡金属二硫化物(TMDs)。本文探讨了二维材料在电磁屏蔽中的潜在应用,全面概述了其独特的性能和合成方法。它彻底检查了优化复合材料性能的策略,并确定了现有技术的局限性。基于这些发现,本文反映了二维材料电磁屏蔽技术的未来趋势,重点是推进更薄、更轻、更高效和环境可持续的屏蔽解决方案的发展。
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引用次数: 0
Rational self-supported electrode design with optimized ion migration and gas diffusion for efficient anion exchange membrane water electrolyzer 高效阴离子交换膜水电解槽中优化离子迁移和气体扩散的合理自支撑电极设计
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 DOI: 10.1016/j.mtphys.2024.101611
Minghui Ning , Yu Wang , Libo Wu , Fanghao Zhang , Chuqing Yuan , Shaowei Song , Luo Yu , Dezhi Wang , Shuo Chen , Zhifeng Ren
Ion migration and gas diffusion are two of the most critical topics in water electrolysis. Many self-supported electrodes (SSEs) exhibit efficient performance in fundamental research studies due to their excellent gas diffusion. However, such performance is not guaranteed in large-scale electrolyzers due to the extremely large ion-migration resistance of these SSEs. Here we find that a commercial SSE (Ni foam) exhibits efficient performance in fundamental research but performs poorly in an anion exchange membrane water electrolyzer (AEMWE). Further investigations reveal that the poor performance of the AEMWE originates from the large ion-migration resistance caused by the long OH migration distance within the SSE. After its design is optimized to minimize the ion-migration resistance and enhance gas-diffusion efficiency, the AEMWE is found to deliver a current density of 1 A/cm2 at 1.778 V in 1 M KOH at 65 °C. A triple-cell stack is further assembled and found to reach 1 A/cm2 at 5.464 V and to exhibit excellent stability over 216 h in 1 M KOH, showing its good potential for scalable production.
离子迁移和气体扩散是水电解中两个最关键的问题。由于具有良好的气体扩散特性,许多自支撑电极在基础研究中表现出高效的性能。然而,由于这些sse具有极大的离子迁移阻力,因此在大型电解槽中无法保证这种性能。在这里,我们发现商业SSE (Ni泡沫)在基础研究中表现出高效的性能,但在阴离子交换膜水电解槽(AEMWE)中表现不佳。进一步的研究表明,AEMWE性能差的原因是由于SSE内较长的OH -迁移距离造成了较大的离子迁移阻力。经过优化设计,最大限度地减少离子迁移阻力,提高气体扩散效率,AEMWE在1.778 V、1 M KOH、65°C条件下的电流密度为1 a /cm2。进一步组装了三电池堆叠,发现在5.464 V时达到1 A/cm2,并且在1 M KOH下超过216小时具有出色的稳定性,显示出其可扩展生产的良好潜力。
{"title":"Rational self-supported electrode design with optimized ion migration and gas diffusion for efficient anion exchange membrane water electrolyzer","authors":"Minghui Ning ,&nbsp;Yu Wang ,&nbsp;Libo Wu ,&nbsp;Fanghao Zhang ,&nbsp;Chuqing Yuan ,&nbsp;Shaowei Song ,&nbsp;Luo Yu ,&nbsp;Dezhi Wang ,&nbsp;Shuo Chen ,&nbsp;Zhifeng Ren","doi":"10.1016/j.mtphys.2024.101611","DOIUrl":"10.1016/j.mtphys.2024.101611","url":null,"abstract":"<div><div>Ion migration and gas diffusion are two of the most critical topics in water electrolysis. Many self-supported electrodes (SSEs) exhibit efficient performance in fundamental research studies due to their excellent gas diffusion. However, such performance is not guaranteed in large-scale electrolyzers due to the extremely large ion-migration resistance of these SSEs. Here we find that a commercial SSE (Ni foam) exhibits efficient performance in fundamental research but performs poorly in an anion exchange membrane water electrolyzer (AEMWE). Further investigations reveal that the poor performance of the AEMWE originates from the large ion-migration resistance caused by the long OH<sup>−</sup> migration distance within the SSE. After its design is optimized to minimize the ion-migration resistance and enhance gas-diffusion efficiency, the AEMWE is found to deliver a current density of 1 A/cm<sup>2</sup> at 1.778 V in 1 M KOH at 65 °C. A triple-cell stack is further assembled and found to reach 1 A/cm<sup>2</sup> at 5.464 V and to exhibit excellent stability over 216 h in 1 M KOH, showing its good potential for scalable production.</div></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":"50 ","pages":"Article 101611"},"PeriodicalIF":10.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142782432","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Solar-boosted electrocatalytic oxygen evolution via a 2D/2D heterostructure constructed by integrating reduced graphene oxide on NiFe-LDH nanosheets 在ni - ldh纳米片上集成还原氧化石墨烯构建的2D/2D异质结构,太阳能促进电催化析氧
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 DOI: 10.1016/j.mtphys.2024.101619
Qian Liu, Jinyi Wang, Yuxia Zhang, Wa Gao, Longhao Cui, Jingxiang Low, Haiming Zhang
Multi-physical fields driven catalysis for energy conversion has attracted increasing research interests. Introducing solar energy to boost the oxygen evolution reaction (OER) activity of electrocatalyst via photothermal effect is an effective way to reduce energy consumption of water electrolysis. However, it still remains challenging to design advanced catalyst that can fully utilize the energy of each physical field to promote the kinetically sluggish OER. Herein, we report a two-dimensional (2D)/2D heterostructure constructed by integrating the reduced graphene oxide (rGO) with high photothermal conversion efficiency on the surface of catalytically active nickel-iron layered bimetallic hydroxide (NiFe-LDH) nanosheet arrays. The 2D/2D heterointerface in rGO/NiFe-LDH enables the intense contact between rGO and NiFe-LDH, facilitating the generated local heat transfer and significantly reducing the overpotential towards OER under solar irradiation. The temperature of rGO/NiFe-LDH composite supported on carbon paper (rGO/NiFe-LDH/CP) rises rapidly from 30.0 °C to 58.5 °C after exposure to one-sun irradiation. Remarkably, the rGO/NiFe-LDH/CP exhibits a low overpotential of 197 mV to achieve the current density of 10 mA cm−2 for OER under solar irradiation. Furthermore, the Tafel slope of rGO/NiFe-LDH/CP decreases from 63.4 to 51.5 mV dec−1 with light irradiation, suggesting the integrated rGO photothermal layer not only reduce the thermodynamic barrier of OER but also accelerate the OER kinetics. In addition, the rGO can accelerate the charge transfer at the catalyst surface and increase the electrochemical specific surface area, all of which contributes to the enhanced electrocatalytic activity for OER. The solar-boosted electrocatalysis towards OER also shows good stability, indicating opportunities for practical application.
多物理场驱动的能量转换催化引起了越来越多的研究兴趣。引入太阳能,利用光热效应提高电催化剂的析氧反应活性是降低水电解能耗的有效途径。然而,如何设计出先进的催化剂,充分利用各个物理场的能量来促进动力学滞缓的OER,仍然是一个挑战。本文报道了将具有高光热转换效率的还原氧化石墨烯(rGO)集成在催化活性镍铁层状双金属氢氧化物(NiFe-LDH)纳米片阵列表面构建的二维(2D)/二维异质结构。rGO/ nfe - ldh中的2D/2D异质界面使得rGO与nfe - ldh之间的接触更加强烈,有利于产生局部换热,显著降低了太阳辐照下OER的过电位。碳纸上负载的rGO/NiFe-LDH复合材料(rGO/NiFe-LDH/CP)经一次太阳照射后,温度从30.0℃迅速上升到58.5℃。值得注意的是,rGO/NiFe-LDH/CP在太阳照射下具有197 mV的低过电位,达到10 mA cm-2的OER电流密度。此外,rGO/NiFe-LDH/CP的Tafel斜率随光照射从63.4减小到51.5 mV / dec1,表明集成的rGO光热层不仅降低了OER的热力学势垒,而且加速了OER动力学。此外,还原氧化石墨烯可以加速催化剂表面的电荷转移,增加电化学比表面积,这些都有助于增强OER的电催化活性。太阳能驱动的OER电催化也表现出良好的稳定性,表明了实际应用的机会。
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引用次数: 0
Lattice distortion realizing the “treble-high” thermoelectric module 晶格畸变实现“三高”热电模块
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 DOI: 10.1016/j.mtphys.2024.101635
Hui Pan, Lixia Zhang, Huiyuan Geng, Qing Chang, Bo Zhang, Zhan Sun
Desirable diffusion barrier layers play a fatal role in achieving long-term high-temperature stable service for the skutterudites (SKDs)-based thermoelectric (TE) device. Consequently, we proposed a screening strategy for diffusion barrier layers based on the lattice distortion design, identifying the Fe80V20 alloy as a promising candidate barrier layer for p-type SKD materials. Theoretically, we found that the significant lattice distortion induced by the addition of V can lead to a higher activation energy barrier for Fe migration (155 % higher than Cr addition). Experimentally, compared to Fe80Cr20 joints, the Fe80V20 joints exhibit outstanding interfacial reliability and stability. Eventually, we achieved a “treble-high” SKDs-based TE module, which possesses a record high conversion efficiency of 10.7 % and a high-power density of 2.18 W cm−2 under a temperature difference of 585 K, and high long-term reliability. This work demonstrates a novel and effective strategy for screening diffusion barrier layers in TE devices, laying a solid foundation for their practical application in power generation.
理想的扩散阻挡层对基于矽卡岩(SKDs)的热电(TE)器件实现长期高温稳定服务起着致命的作用。因此,我们提出了一种基于晶格畸变设计的扩散阻挡层筛选策略,确定 Fe80V20 合金为 p 型 SKD 材料的理想候选阻挡层。从理论上讲,我们发现添加 V 所引起的显著晶格畸变会导致铁迁移的活化能势垒更高(比添加 Cr 高 155%)。实验结果表明,与 Fe80Cr20 接头相比,Fe80V20 接头具有出色的界面可靠性和稳定性。最终,我们实现了基于 SKDs 的 "三高 "TE 模块,在 585 K 的温差条件下,其转换效率达到了创纪录的 10.7%,功率密度达到了 2.18 W-cm-2,并且具有很高的长期可靠性。这项研究成果展示了在 TE 器件中筛选扩散势垒层的新颖而有效的策略,为其在发电领域的实际应用奠定了坚实的基础。
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引用次数: 0
Thermal transport properties of polycrystalline Bi4SeCl2O4 with various texturizations and densities 不同织构和密度下多晶Bi4SeCl2O4的热输运性质
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 DOI: 10.1016/j.mtphys.2024.101618
Linjie Wu , Xinyue Zhang , Changyuan Li , Qingyu Bai , Zhiwei Chen , Yanzhong Pei
Bi4SeCl2O4, has recently drawn significant interest for the reported extremely low thermal conductivity (κ), making it a promising material for thermoelectric applications. The anisotropy nature of this material allows for the manipulation of transport properties for optimization in a certain direction. However, there is still a lack of systematic research on the role of texturization in the thermal transport properties of Bi4SeCl2O4. In this work, single-phase polycrystalline Bi4SeCl2O4 was synthesized by solid-phase reaction and hot-pressing. The effect of both texturization and density on the thermal conductivity of Bi4SeCl2O4 was experimentally investigated in detail. The results show that once the density is higher than 80 %, this work demonstrates a κ of >0.4 W/m-K even when the orientation factor reaches ∼0.5. The κ was verified by different measurement techniques. In addition, the heat insulation performance of Bi4SeCl2O4 was found to be intermediate between that of PTFE and silica.
据报道,Bi4SeCl2O4 具有极低的热导率 (κ),最近引起了人们的极大兴趣,使其成为一种很有前途的热电应用材料。这种材料的各向异性使得人们可以操纵其传输特性,使其向某个方向优化。然而,目前仍缺乏关于纹理化在 Bi4SeCl2O4 热传输特性中的作用的系统研究。本研究通过固相反应和热压合成了单相多晶 Bi4SeCl2O4。实验详细研究了质构化和密度对 Bi4SeCl2O4 热导率的影响。结果表明,当密度高于 80% 时,即使取向因子达到 0.5,该作品的κ也能达到 0.4 W/m-K。该κ值通过不同的测量技术得到了验证。此外,还发现 Bi4SeCl2O4 的隔热性能介于聚四氟乙烯和二氧化硅之间。
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引用次数: 0
Insight into the effect of force error on the thermal conductivity from machine-learned potentials 从机器学习势分析力误差对热导率的影响
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 DOI: 10.1016/j.mtphys.2024.101638
Wenjiang Zhou , Nianjie Liang , Xiguang Wu , Shiyun Xiong , Zheyong Fan , Bai Song
Machine-learned potentials (MLPs) have been extensively used to obtain the lattice thermal conductivity (κ) via atomistic simulations. However, the impact of force errors in various MLPs on thermal transport has not been widely recognized and remains to be fully understood. Here, we employ MLP-driven molecular dynamics (MD) and anharmonic lattice dynamics (LD) to systematically investigate how the calculated κ varies with the force errors, using boron arsenide as a prototypical material to emphasize the challenges associated with high thermal conductivity. We consistently observe an underestimation of κ in MD simulations with different MLPs including the neuroevolution potential, deep potential, and moment tensor potential (MTP). We propose a robust second-order extrapolation scheme based on controlled force noises via the Langevin thermostat to correct this underestimation. The corrected results achieve a good agreement with previous experimental measurements from 200 K to 600 K. In contrast, the κ values from LD calculations with MLPs readily align with the experimental data, which is attributed to the much smaller effects of the force errors on the force-constant calculations. Our findings provide deeper physical insight into the effect of the force errors in machine-learned potentials on thermal transport, and are particularly instrumental for simulating and seeking high-κ materials. In addition, we also make our modified version of the MLIP package publicly accessible in order to facilitate the accurate calculation of heat current in MTP-based MD simulations.
机器学习电位(MLPs)已被广泛用于通过原子模拟获得晶格热导率(κ)。然而,各种mlp中力误差对热输运的影响尚未得到广泛认识,仍有待充分了解。在这里,我们采用mlp驱动的分子动力学(MD)和非调和晶格动力学(LD)来系统地研究计算的κ如何随力误差变化,并以砷化硼作为原型材料来强调与高导热性相关的挑战。我们一致观察到,在不同mlp(包括神经进化电位、深电位和矩张量电位)的MD模拟中,κ的低估。我们提出了一种鲁棒的二阶外推方案,该方案基于通过朗格万温控器控制的力噪声来纠正这种低估。修正后的结果与以往在200k ~ 600k范围内的实验测量结果吻合较好。相比之下,使用mlp计算的LD的κ值很容易与实验数据一致,这归因于力误差对力常数计算的影响要小得多。我们的研究结果为机器学习势中的力误差对热传递的影响提供了更深入的物理见解,并特别有助于模拟和寻找高κ材料。此外,我们还公开了修改后的MLIP包,以便在基于mtp的MD模拟中精确计算热流。
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引用次数: 0
Enhanced irradiation stability of MOSFET devices realized by improving nucleus density of CrxNbMoTaW generated by lattice shrinkage 通过提高晶格收缩产生的CrxNbMoTaW的核密度,实现了MOSFET器件辐照稳定性的增强
IF 1 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 DOI: 10.1016/j.mtphys.2024.101639
Wenjing Wei , Yang Hong , Xiaolei Shi , Yang Li , Kai Cui , Tianyu Zhang , Xin Jia , Jingyang Li , Hongjun Kang , Wei Qin , Xiaohong Wu
The limited irradiation stability of metal-oxide-semiconductor field-effect transistor (MOSFET) devices has restricted their application in deep space exploration missions. Therefore, it is an urgent need to develop a new and efficient packaging hardening techniques to improve the irradiation stability of MOSFET devices. Herein, Cr0.5NbMoTaW was prepared by localized high-energy mechanical alloying and coated on the MOSFET's surface, and the packaged MOSFETs exhibit excellent irradiation stability. The threshold voltage change value of Cr0.5NbMoTaW packaged MOSFET device (0.26 V) is lower than the unpackaged MOSFET (4.15 V) after high-energy electron irradiation. Experimental and theoretical calculations show that Cr induces lattice shrinkage of Cr0.5NbMoTaW high-entropy alloys, leading to an improved density of nucleus. This increases the probability of elastic and inelastic collision between high-energy electrons and the nucleus, thus achieving excellent irradiation stability of packaged MOSFET devices. This work presents a strategy to improve the irradiation stability of MOSFET devices by using high-entropy alloy packaging.
金属氧化物半导体场效应晶体管(MOSFET)器件辐照稳定性有限,制约了其在深空探测任务中的应用。因此,迫切需要开发一种新的、高效的封装硬化技术来提高MOSFET器件的辐照稳定性。本文采用局部高能机械合金化法制备了Cr0.5NbMoTaW,并将其包覆在MOSFET表面,封装后的MOSFET具有优异的辐照稳定性。高能电子辐照后,Cr0.5NbMoTaW封装MOSFET器件的阈值电压变化值(0.26 V)低于未封装MOSFET器件(4.15 V)。实验和理论计算表明,Cr诱导Cr0.5NbMoTaW高熵合金晶格收缩,提高了合金的核密度。这增加了高能电子与原子核之间弹性和非弹性碰撞的概率,从而实现了封装MOSFET器件优异的辐照稳定性。本文提出了一种利用高熵合金封装提高MOSFET器件辐照稳定性的方法。
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Materials Today Physics
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