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Simultaneous optimization of power factor and thermal conductivity via charge transfer effect and enhanced scattering of phonons in Si80Ge20P1/CoSi2 composites 通过 Si80Ge20P1/CoSi2 复合材料中的电荷转移效应和声子散射增强效应同时优化功率因数和热导率
IF 8.4 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-05-12 DOI: 10.1016/j.jmat.2024.03.017

SiGe based alloy is a promising medium-high temperature thermoelectric material that has been applied in the field of aerospace exploration. So far, utilizing the second phase to promote the scattering of phonons is a common way to improve the thermoelectric performance of SiGe based alloy, but this often deteriorates the electrical properties. In this study, the Si80Ge20P1/CoSi2 composites have been prepared by mechanical alloying and spark plasma sintering, and the content of cobalt silicide (CoSi2) nanoparticles have been manipulated. Since the CoSi2 nanoparticles possess higher carrier concentration and smaller work function than the Si80Ge20P1 matrix, the carrier concentrations of composites have been pushed up due the charge transfer effect. Meanwhile, the formation of nano-sized phase interfaces and stacking faults in the composites has enhanced the scattering of low-frequency phonons. As a result, the optimal power factor of 3.41 mW⋅m−1⋅K−2 and thermal conductivity of 2.29 W⋅m−1⋅K−1 have been achieved, and the corresponding zT reaches up to 1.3 in the Si80Ge20P1+0.5% CoSi2 (in mole) composite at 873 K. This work provides a new idea for developing the performance of SiGe based alloy.

硅锗基合金是一种前景广阔的中高温热电材料,已被应用于航空航天探索领域。迄今为止,利用第二相促进声子散射是提高 SiGe 基合金热电性能的常用方法,但这往往会降低其电性能。本研究采用机械合金化和火花等离子烧结法制备了 Si80Ge20P1/CoSi2 复合材料,并控制了硅化钴(CoSi2)纳米粒子的含量。由于 CoSi2 纳米粒子比 Si80Ge20P1 基体具有更高的载流子浓度和更小的功函数,复合材料的载流子浓度在电荷转移效应的作用下被推高。同时,复合材料中纳米级相界面和堆叠断层的形成增强了低频声子的散射。因此,Si80Ge20P1+0.5% CoSi2(摩尔)复合材料在 873 K 时的最佳功率因数为 3.41 mW-m-1-K-2,热导率为 2.29 W-m-1-K-1,相应的 zT 达到 1.3。
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引用次数: 0
Vacancy modulation dramatically enhances the thermoelectric performance of InTe single crystal 空位调制显著提高碲化镉单晶的热电性能
IF 8.4 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-05-11 DOI: 10.1016/j.jmat.2024.03.018

InTe single crystals have demonstrated great promise in the field of thermoelectric materials, particularly when oriented along the [110] direction. This specific crystal orientation exhibits higher electronic conductivity and lower thermal conductivity compared to other orientations of InTe. Through first-principles calculations, we identified the anisotropic valence band and phonon dispersion as the underlying factors. Moreover, reducing the density of In+ vacancies in InTe was found to lower the band effective mass and modulate carrier scattering, enhancing the material quality factor (B). To explore these findings, we systematically grew InTe single crystals, achieving exceptional thermoelectric performance. A record-breaking power factor of 12.0 μW·cm−1·K−2 and a dimensionless figure of merit (zT) of 0.5 at room temperature were obtained. Notably, InTe crystals oriented along [110] with low In+ vacancy density exhibited the highest average zT of 0.63 among InTe-based thermoelectric materials within the 300–473 K temperature range. Furthermore, we introduced an effective method of reducing In+ vacancies through Indium vapor annealing, resulting in the highest reported carrier mobility of 182 cm2·V−1·s−1 for InTe. Our study highlights the potential for improving InTe's thermoelectric performance near room temperature through vacancy modulation and crystal orientation.

碲化镉单晶在热电材料领域大有可为,尤其是沿[110]方向取向的碲化镉单晶。与 InTe 的其他取向相比,这种特定的晶体取向具有更高的电子传导性和更低的热传导性。通过第一原理计算,我们发现各向异性价带和声子色散是其根本原因。此外,我们还发现降低 InTe 中 In+ 空位的密度可降低能带有效质量并调节载流子散射,从而提高材料品质因数 (B)。为了探索这些发现,我们系统地生长了 InTe 单晶,实现了卓越的热电性能。在室温下,功率因数达到了破纪录的 12.0 μW-cm-1-K-2,无量纲优点系数 (zT) 为 0.5。值得注意的是,在 300-473 K 温度范围内,沿[110]取向的 InTe 晶体具有较低的 In+ 空位密度,其平均 zT 值为 0.63,是 InTe 热电材料中最高的。此外,我们还介绍了一种通过铟蒸气退火减少 In+ 空位的有效方法,从而使 InTe 的载流子迁移率达到 182 cm2-V-1-s-1 的最高水平。我们的研究强调了通过空位调制和晶体取向改善 InTe 在室温附近的热电性能的潜力。
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引用次数: 0
A BaTiO3-based flexible ferroelectric capacitor for non-volatile memories 用于非易失性存储器的基于 BaTiO3 的柔性铁电电容器
IF 8.4 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-05-09 DOI: 10.1016/j.jmat.2024.04.001

BaTiO3 (BTO) ferroelectric films, which are renowned for their lead-free compositions, superior stability, and absence of a wake-up effect, are promising candidate materials in the field of non-volatile memories. However, the prerequisites for high-temperature conditions in the fabrication of ferroelectric thin films impose constraints on the substrate choice, which has limited the advancement in non-volatile memories based on single-crystal flexible BTO films with robust ferroelectric properties. Herein, a technique has been developed for the fabrication of flexible devices using a pulsed laser deposition system. BTO ferroelectric films have then been deposited onto a flexible mica substrate, with SrTiO3 (STO) serving as a buffer layer. The obtained flexible BTO devices exhibited excellent ferroelectricity, with a maximum polarization (2Pmax) of up to 42.58 μC/cm2 and a remnant polarization (2Pr) of up to 21.39 μC/cm2. Furthermore, even after 1000 bending cycles, the bipolar switching endurance remained high at 1012 cycles. After 104 s, the flexible BTO device still maintained excellent polarization characteristics. These results make the flexible BTO ferroelectric thin film a potential candidate for the next generation of non-volatile memories.

BaTiO3 (BTO) 铁电薄膜因其无铅成分、超强稳定性和无唤醒效应而闻名,是非易失性存储器领域前景广阔的候选材料。然而,铁电薄膜的制造需要高温条件,这对基底的选择造成了限制,从而限制了基于具有稳健铁电特性的单晶柔性 BTO 薄膜的非易失性存储器的发展。在此,我们开发了一种利用脉冲激光沉积系统制造柔性器件的技术。BTO 铁电薄膜沉积在柔性云母基底上,SrTiO3(STO)作为缓冲层。所获得的柔性 BTO 器件具有出色的铁电性,最大极化(2Pmax)高达 42.58 μC/cm2,残余极化(2Pr)高达 21.39 μC/cm2。此外,即使经过 1000 次弯曲,双极开关的耐久性仍然高达 1012 次。在 104 秒后,柔性 BTO 器件仍能保持出色的极化特性。这些结果使柔性 BTO 铁电薄膜成为下一代非易失性存储器的潜在候选材料。
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引用次数: 0
Fabry–Pérot cavity smart windows with superior solar and thermal modulation capabilities 法布里-佩罗空腔智能窗具有卓越的太阳能和热能调节能力
IF 8.4 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-05-09 DOI: 10.1016/j.jmat.2024.03.015

Smart windows are an important strategy to reduce the energy consumption in buildings, which accounts for as much as 30%–40% of the society's energy consumption. VO2-based thermochromic materials can intelligently regulate the solar heat gains of building interiors. However, the unmatched thermal emissivity (ɛ) modulation of traditional VO2/glass systems, i.e., high emissivity at low temperatures and low emissivity at high temperatures, leads to additional heating and cooling energy loads in winter and summer, respectively. In this study, we propose a novel VO2/polyacrylonitrile (PAN)/AgNW multilayer possessing flexible Ag nanowire supported Fabry–Pérot cavities, which synchronously achieves high modulation abilities in both solar spectrum (ΔTsol of 13.6%) and middle infrared region (Δɛ of 0.50 at 8–13 μm). These achievements are the best among reports for pure VO2 smart windows. This study provides a flexible and effective protocol to dynamically enhance the light and heat utilization for practical building windows.

智能窗户是降低建筑能耗的一项重要战略,建筑能耗占社会能耗的 30%-40% 之多。基于 VO2 的热致变色材料可以智能调节建筑物内部的太阳辐射热量。然而,传统 VO2/玻璃系统的热发射率(ɛ)调制不匹配,即低温时发射率高,高温时发射率低,导致冬季和夏季分别产生额外的供暖和制冷能源负荷。在这项研究中,我们提出了一种新型 VO2/聚丙烯腈(PAN)/AgNW 多层材料,该材料具有柔性 Ag 纳米线支撑的法布里-佩罗空腔,在太阳光谱(ΔTsol 为 13.6%)和中红外区域(Δɛ 在 8-13 μm 处为 0.50)同步实现了高调制能力。这些成果在纯 VO2 智能窗口的报告中是最好的。这项研究为动态提高实用建筑窗户的光热利用率提供了一种灵活有效的方案。
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引用次数: 0
Ultrahigh energy storage density and efficiency in A/B-site co-modified silver niobate relaxor antiferroelectric ceramics A/B 位共修饰铌酸银弛豫反铁电体陶瓷的超高储能密度和效率
IF 8.4 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-05-08 DOI: 10.1016/j.jmat.2024.03.014

AgNbO3-based antiferroelectric ceramics can be used to prepare dielectric ceramic materials with energy storage performance. However, their efficiency is much lower than that of relaxors, which is one of the biggest obstacles for their applications. To overcome this problem, AgNbO3 ceramics co-doped with Eu3+ and Ta5+ at the A- and B-sites were prepared in this work. The Ag0.97Eu0.01Nb0.85Ta0.15O3 sample has a Wr of 6.9 J/cm3 and an η of 74.6%. The ultrahigh energy storage density and efficiency of Ag0.97Eu0.01Nb0.85Ta0.15O3 has been ascribed to the synergistic effect of the increase in the breakdown electric field, the enhancement of antiferroelectric stability, the construction of multiphase coexistence, and the modification of the domain structure morphology. The Ag0.97Eu0.01Nb0.85Ta0.15O3 ceramic is expected to be one of the options for preparing dielectric capacitors.

基于 AgNbO3 的反铁电陶瓷可用于制备具有储能性能的介电陶瓷材料。然而,它们的效率远低于弛豫器,这是其应用的最大障碍之一。为了克服这一问题,本研究制备了在 A-位和 B-位上共掺杂 Eu3+ 和 Ta5+ 的 AgNbO3 陶瓷。Ag0.97Eu0.01Nb0.85Ta0.15O3 样品的 Wr 值为 6.9 J/cm3,η 值为 74.6%。Ag0.97Eu0.01Nb0.85Ta0.15O3的超高储能密度和效率归因于击穿电场的增加、反铁电体稳定性的增强、多相共存的构建以及畴结构形态的改变所产生的协同效应。Ag0.97Eu0.01Nb0.85Ta0.15O3 陶瓷有望成为制备介电电容器的选择之一。
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引用次数: 0
Controlled lattice deformation for high-mobility two-dimensional MoTe2 growth 控制晶格变形,促进高迁移率二维碲化镉(MoTe2)生长
IF 8.4 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-04-24 DOI: 10.1016/j.jmat.2024.03.013
Two-dimensional (2D) MoTe2 shows great potential for future semiconductor devices, but the lab-to-fab transition is still in its preliminary stage due to the constraints in the crystal growth level. Currently, the chemical vapor deposition growth of 2D MoTe2 primarily relies on the tellurization process of Mo-source precursor (MSP). However, the target product 2H-MoTe2 from Mo precursor suffers from long growth time and suboptimal crystal quality, and MoOx precursor confronts the dilemma of unclear growth mechanism and inconsistent growth products. Here, we developed magnetron-sputtered MoO3 film for fast and high-mobility 2H-MoTe2 growth. The solid-to-solid phase transition growth mechanism of 2D MoTe2 from Mo and MoOx precursor was first experimentally unified, and the effect mechanism of MSPs on 2D MoTe2 growth was systematically elucidated. Compared with Mo and MoO2, the MoO3 precursor has the least Mo-unit lattice deformation and exhibits the optimal crystal quality of growth products. Meanwhile, the lowest Gibbs free energy change of the chemical reaction results in an impressive 2H-MoTe2 growth rate of 8.07 μm/min. The constructed 2H-MoTe2 field-effect transistor array from MoO3 precursor showcases record-high hole mobility of 85 cm2·V-1·s-1, competitive on-off ratio of 3×104, and outstanding uniformity. This scalable method not only offers efficiency but also aligns with industry standards, making it a promising guideline for diverse 2D material preparation towards real-world applications.
二维(2D)MoTe2 在未来半导体器件中显示出巨大潜力,但由于晶体生长水平的限制,实验室到实验室的过渡仍处于初级阶段。目前,二维 MoTe2 的化学气相沉积生长主要依赖于钼源前驱体(MSP)的碲化过程。然而,Mo 前驱体的目标产物 2H-MoTe2 存在生长时间长、晶体质量不理想等问题,而 MoOx 前驱体则面临生长机制不明确、生长产物不一致的困境。在此,我们开发了磁控溅射 MoO3 薄膜,用于 2H-MoTe2 的快速、高流动性生长。实验首次统一了Mo和MoOx前驱体的二维MoTe2固-固相变生长机制,并系统地阐明了MSP对二维MoTe2生长的影响机制。与 Mo 和 MoO2 相比,MoO3 前驱体的 Mo 单位晶格变形最小,生长产物的晶体质量最优。同时,由于化学反应的吉布斯自由能变化最小,2H-MoTe2 的生长速率达到了惊人的 8.07 μm/min。利用 MoO3 前驱体构建的 2H-MoTe2 场效应晶体管阵列具有 85 cm2-V-1-s-1 的创纪录高空穴迁移率、3×104 的竞争性导通比和出色的均匀性。这种可扩展的方法不仅效率高,而且符合行业标准,是制备各种二维材料、实现实际应用的可行指南。
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引用次数: 0
Local manipulation of skyrmion lattice in Fe3GaTe2 at room temperature 室温下局部操纵 Fe3GaTe2 中的天离子晶格
IF 8.4 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-04-23 DOI: 10.1016/j.jmat.2024.03.010
Shuaizhao Jin , Zhan Wang , Shouzhe Dong , Yiting Wang , Kun Han , Guangcheng Wang , Zunyi Deng , Xingan Jiang , Ying Zhang , Houbing Huang , Jiawang Hong , Xiaolei Wang , Tianlong Xia , Sang-Wook Cheong , Xueyun Wang

Motivated by advances in spintronic devices, extensive explorations are underway to uncover materials that host topologically protected spin textures, exemplified by skyrmions. One critical challenge involved in the potential application of skyrmions in van der Waals (vdW) materials is the attainment and manipulation of skyrmions at room temperature. In this study, we report the creation of an intrinsic skyrmion state in the van der Waals ferromagnet Fe3GaTe2. By employing variable temperature magnetic force microscopy, the skyrmion lattice can be locally manipulated on Fe3GaTe2 flakes. The ordering of skyrmion state is further analyzed. Our results suggest Fe3GaTe2 emerges as a highly promising contender for the realization of skyrmion-based layered spintronic memory devices.

受自旋电子器件发展的推动,人们正在进行广泛的探索,以发现具有拓扑保护自旋纹理的材料,例如天线。在范德华(vdW)材料中潜在应用天离子的一个关键挑战是如何在室温下获得和操纵天离子。在这项研究中,我们报告了在范德华铁磁体 Fe3GaTe2 中产生本征天离子的情况。通过使用变温磁力显微镜,可以局部操纵 Fe3GaTe2 薄片上的天离子晶格。我们进一步分析了天电离子的有序状态。我们的研究结果表明,Fe3GaTe2 是实现基于天电离子的层状自旋电子存储器件的极有前途的竞争者。
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引用次数: 0
Mutual control of electric and magnetic orders near room temperature in Al doped Y-type hexaferrite single crystals 掺铝 Y 型六铁氧体单晶中室温附近电阶和磁阶的相互控制
IF 8.4 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-04-22 DOI: 10.1016/j.jmat.2024.03.012

Realizing robust magnetoelectric (ME) coupling effect near room temperature is still a long-standing challenge for the application of multiferroic materials in next-generation low-power spintronic and memory devices. Here we report a systematic study on the magnetic, dielectric, and ME coupling properties of Y-type hexaferrite Ba0.5Sr1.5Co2Fe12–xAlxO22 (x = 0.0, 0.5, 1.0) single crystals. The Al doping can induce the shifting of the alternating longitudinal conical (ALC)-proper screw (PS) magnetic phase transition temperature from 200 K for x = 0–365 K for x = 1.0. The most interesting feature is that the Ba0.5Sr1.5Co2Fe11AlO22 single crystal displays a direct and converse ME coupling coefficient with αH ∼3,100 ps/m and αE ∼3,900 ps/m at 250 K, respectively, due to the Al-doped enhanced stability of ALC phase. Moreover, the exchange bias also verifies the strong coupling of electric and magnetic orders. These results provide a valuable insight on the modulation of ALC structure and the mechanism of ME effect in Y-type hexaferrites.

在室温附近实现稳健的磁电(ME)耦合效应仍然是多铁氧体材料应用于下一代低功耗自旋电子和存储器件的长期挑战。在此,我们报告了对 Y 型六铁氧体 Ba0.5Sr1.5Co2Fe12-xAlxO22 (x = 0.0, 0.5, 1.0) 单晶的磁性、介电和 ME 耦合特性的系统研究。铝的掺杂可以引起交变纵锥形(ALC)-正螺旋形(PS)磁相变温度的移动,从 x = 0 时的 200 K 到 x = 1.0 时的 365 K。最有趣的特征是,由于掺铝增强了 ALC 相的稳定性,Ba0.5Sr1.5Co2Fe11AlO22 单晶在 250 K 时显示出直接和相反的 ME 耦合系数,分别为 αH ∼ 3,100 ps/m 和 αE ∼ 3,900 ps/m。此外,交换偏压也验证了电阶和磁阶的强耦合。这些结果对 Y 型六元晶中 ALC 结构的调制和 ME 效应的机理提供了宝贵的见解。
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引用次数: 0
Fluorinated molecular diamond improved polymer electrolytes enable stable cycling with high capacity of all-solid-state lithium-metal batteries 氟化分子金刚石改良聚合物电解质实现了全固态锂金属电池的稳定循环和高容量
IF 8.4 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-04-21 DOI: 10.1016/j.jmat.2024.03.009

The interfacial incompatibility of the poly (ethylene oxide)-based electrolytes hinder the longevity and further practice of all-solid-state batteries. Herein, we present a productive additive 1-Fluoroadamantane facilitating to the distinct performance of the poly (ethylene oxide)-based electrolytes. Attributed to the strong molecular interaction, the coordination of the Li+-EO is reduced and the ‘bonding effect’ of anion is improved. Thus, the Li + conductivity is promoted and the electrochemical window is widened. The diamond building block C10H15 strengthens the stability of the solid polymer electrolytes. Importantly, the 1-Fluoroadamantane mediates the generation of LiF in the interfaces, which fosters the interfacial stability, contributing to the long-term cycling. Hence, the symmetric cell (Li/Li) exhibits a long-term lithium plating/stripping for over 2,400 h. The 4.3 V LiNi0.8Mn0.1Co0.1O2/Li all-solid-state battery with the 1-Fluoroadamantane-poly (ethylene oxide) improved electrolyte delivers 600 times, with an impressive capacity retention of 84%. Also, the cell presents high capacity of 210 mA·h/g, and 170 mA·h/g at 0.1 C and 0.3 C respectively, rivalling the liquid electrolytes.

聚(环氧乙烷)基电解质的界面不相容性阻碍了全固态电池的使用寿命和进一步应用。在此,我们提出了一种生产性添加剂 1-氟金刚烷,它有助于提高聚(环氧乙烷)基电解质的性能。由于强烈的分子相互作用,Li+-环氧乙烷的配位减少,阴离子的 "键合效应 "得到改善。因此,Li+ 的导电性得到了提高,电化学窗口也得到了拓宽。金刚石结构单元 C10H15- 增强了固体聚合物电解质的稳定性。重要的是,1-氟金刚烷在界面中介导生成 LiF,从而提高了界面稳定性,有助于长期循环。采用 1-氟金刚烷-聚(环氧乙烷)改良电解质的 4.3 V LiNi0.8Mn0.1Co0.1O2/Li 全固态电池可实现 600 次循环,容量保持率高达 84%。此外,该电池在 0.1 摄氏度和 0.3 摄氏度条件下的高容量分别为 210 mA-h/g 和 170 mA-h/g,可与液态电解质相媲美。
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引用次数: 0
Artificial synaptic simulating pain-perceptual nociceptor and brain-inspired computing based on Au/Bi3.2La0.8Ti3O12/ITO memristor 基于 Au/Bi3.2La0.8Ti3O12/ITO 记忆晶粒的人工突触模拟痛觉感受器和脑启发计算
IF 8.4 1区 材料科学 Q1 CHEMISTRY, PHYSICAL Pub Date : 2024-04-21 DOI: 10.1016/j.jmat.2024.03.011

Recently, memristors have garnered widespread attention as neuromorphic devices that can simulate synaptic behavior, holding promise for future commercial applications in neuromorphic computing. In this paper, we present a memristor with an Au/Bi3.2La0.8Ti3O12 (BLTO)/ITO structure, demonstrating a switching ratio of nearly 103 over a duration of 104 s. It successfully simulates a range of synaptic behaviors, including long-term potentiation and depression, paired-pulse facilitation, spike-timing-dependent plasticity, spike-rate-dependent plasticity etc. Interestingly, we also employ it to simulate pain threshold, sensitization, and desensitization behaviors of pain-perceptual nociceptor (PPN). Lastly, by introducing memristor differential pairs (1T1R-1T1R), we train a neural network, effectively simplifying the learning process, reducing training time, and achieving a handwriting digit recognition accuracy of up to 97.19 %. Overall, the proposed device holds immense potential in the field of neuromorphic computing, offering possibilities for the next generation of high-performance neuromorphic computing chips.

最近,忆阻器作为能够模拟突触行为的神经形态器件受到广泛关注,为未来神经形态计算的商业应用带来了希望。在本文中,我们展示了一种金/Bi3.2La0.8Ti3O12(BLTO)/ITO结构的忆阻器,在104秒的持续时间内,开关比接近103。它成功地模拟了一系列突触行为,包括长期延时和抑制、成对脉冲促进、尖峰计时相关可塑性、尖峰速率相关可塑性等。有趣的是,我们还利用它来模拟痛觉感受器(PPN)的痛阈、敏化和脱敏行为。最后,通过引入忆阻器差分对(1T1R-1T1R),我们训练了一个神经网络,有效简化了学习过程,缩短了训练时间,手写数字识别准确率高达 97.19%。总之,所提出的设备在神经形态计算领域具有巨大潜力,为下一代高性能神经形态计算芯片提供了可能。
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引用次数: 0
期刊
Journal of Materiomics
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