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Thermodynamic modeling of Bi2Te3 in the defect energy formalism 缺陷能形式主义下的 Bi2Te3 热力学建模
Pub Date : 2024-07-05 DOI: 10.1016/j.mtelec.2024.100109
Adetoye H. Adekoya, G. Jeffrey Snyder

Bi2Te3 is a promising thermoelectric material that is often touted as one of the best-performing low-temperature thermoelectric materials. As a result, it has been widely used commercially, both for clean energy generation and in cooling devices. Like many other thermoelectric materials, defects play a key role in the performance of Bi2Te3. As a result, numerous studies have attempted to experimentally and computationally map out the dominant defects in the phase, these include efforts to determine the dominant defect, estimate defect energies, and predict their concentration. The computer coupling of phase diagrams and thermochemistry (CALPHAD) is one of many tools under the auspices of the materials genome initiative (MGI) that enables the rapid design of new functional materials with improved properties. The Defect energy formalism (DEF) with a charged sublattice, an offshoot of the Compound energy formalism (CEF), provides a way to directly include first-principle defect energy calculations into CALPHAD descriptions of solid phases. The introduction of the charge sublattice enables the estimation of the free carrier concentrations in the phase. Here we apply the DEF to the Bi2Te3 system, emphasizing the robustness of the DEF in describing meaningful endmembers and the elimination of fitting parameters. Unlike previous assessments using the Wagner–Schottky defect model, we include the description of the charged defects in our assessment. The DEF with a charged sublattice provides a good prediction of the non-stoichiometry of the phase when compared with experimental data and also predicts a thermodynamic defect concentration at low temperature that is physically reasonable.

Bi2Te3 是一种前景广阔的热电材料,经常被誉为性能最佳的低温热电材料之一。因此,它已被广泛用于商业用途,既可用于清洁能源发电,也可用于冷却设备。与许多其他热电材料一样,缺陷对 Bi2Te3 的性能起着关键作用。因此,许多研究都试图通过实验和计算找出该相中的主要缺陷,包括确定主要缺陷、估计缺陷能量和预测缺陷浓度。相图和热化学的计算机耦合(CALPHAD)是材料基因组计划(MGI)支持下的众多工具之一,它使人们能够快速设计出性能更好的新型功能材料。带电子晶格的缺陷能形式主义(DEF)是化合物能形式主义(CEF)的一个分支,它提供了一种将第一原理缺陷能计算直接纳入 CALPHAD 固相描述的方法。引入电荷子晶格可以估算相中的自由载流子浓度。在此,我们将 DEF 应用于 Bi2Te3 体系,强调 DEF 在描述有意义的内含物和消除拟合参数方面的稳健性。与以往使用瓦格纳-肖特基缺陷模型进行的评估不同,我们在评估中加入了对带电缺陷的描述。与实验数据相比,带电亚晶格的 DEF 能很好地预测该相的非全度性,而且还能预测低温下的热力学缺陷浓度,这在物理上是合理的。
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引用次数: 0
Revolutionizing photovoltaics: From back-contact silicon to back-contact perovskite solar cells 光伏技术的革命:从背接触硅到背接触包晶体太阳能电池
Pub Date : 2024-06-10 DOI: 10.1016/j.mtelec.2024.100106
Waqas Ahmad , Chi Li , Wei Yu , Peng Gao

Interdigitated back-contact (IBC) electrode configuration is a novel approach toward highly efficient Photovoltaic (PV) cells. Unlike conventional planar or sandwiched configurations, the IBC architecture positions the cathode and anode contact electrodes on the rear side of the solar cell. This review provides a comprehensive overview of back-contact (BC) solar cells, commencing with the historical context of the inception of the back-contact silicon (BC-Si) solar cells and its progression into various designs such as metallization wrap through, emitter wrap through, and interdigitated configurations. This review emphasizes back-contact perovskite solar cells (BC-PSCs), due to their potential for achieving higher efficiencies and better stability compared to traditional PSC architectures. Herein, we discuss the classification of BC-PSCs based on the position of rear electrodes, including interdigitated and quasi-interdigitated structures. These structures are further analyzed by investigating their implementation via various electrode patterning techniques, such as photolithography, microsphere lithography, cracked film lithography, network-like porous titanium (Ti) electrodes, v-shaped grooves, and lateral-structure perovskite single crystal/shadow masks, used in the development of various types of BC-PSCs. Finally, this review concludes by suggesting potential solutions to the current challenges associated with BC-PSCs to tap into the full potential of this technology. This review aims to provide readers with an in-depth understanding of the latest advancements in BC PV technology, particularly BC-PSCs, and the potential directions for future research and innovation.

互嵌式背接触(IBC)电极配置是实现高效光伏(PV)电池的一种新方法。与传统的平面或夹层结构不同,IBC 结构将阴极和阳极接触电极置于太阳能电池的背面。本综述全面概述了背接触(BC)太阳能电池,首先介绍了背接触硅(BC-Si)太阳能电池诞生的历史背景及其发展到各种设计(如金属化包穿、发射极包穿和相互咬合配置)的过程。本综述强调背接触包晶太阳能电池(BC-PSCs),因为与传统的 PSC 架构相比,它们有可能实现更高的效率和更好的稳定性。在此,我们将根据后电极的位置讨论 BC-PSC 的分类,包括相互咬合和准相互咬合结构。通过研究开发各类 BC-PSC 时使用的各种电极图案技术,如光刻技术、微球光刻技术、裂膜光刻技术、网状多孔钛(Ti)电极、V 形凹槽和侧向结构过磷酸盐单晶/阴影掩膜,进一步分析了这些结构的实现方法。最后,本综述针对目前 BC-PSC 所面临的挑战提出了潜在的解决方案,以充分挖掘这项技术的潜力。本综述旨在让读者深入了解 BC 光伏技术(尤其是 BC-PSCs 技术)的最新进展,以及未来研究和创新的潜在方向。
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引用次数: 0
Bismuth-based ferroelectric memristive device induced by interface barrier for neuromorphic computing 用于神经形态计算的界面屏障诱导铋基铁电记忆器件
Pub Date : 2024-06-01 DOI: 10.1016/j.mtelec.2024.100105
Zhi-Long Chen, Yang Xiao, Yang-Fan Zheng, Yan-Ping Jiang, Qiu-Xiang Liu, Xin-Gui Tang

The development of the Internet of Things (IoT) not only facilitates our lives but also dramatically grows data. Artificial synaptic devices appear to represent an emerging physical solution compared to the existing computational architectures. Memristive devices are of great interest with their high integration and low power consumption in the field of synaptic devices. In this work, we demonstrate short-term plasticity (STP) and long-term plasticity (LTP) by regulating synaptic weights with different stimulus pulses. Moreover, the application in neuromorphic computing is further exhibited by image recognition with an accuracy of 95.2 % under the modified National Institute of Standards and Technology database. Therefore, Nd-doped Bi4Ti3O12 memristors, as emerging artificial synaptic devices, are expected to achieve breakthroughs in artificial intelligence and promote the development of neuromorphic computing and intelligent systems.

物联网(IoT)的发展不仅方便了我们的生活,也极大地增加了数据量。与现有的计算架构相比,人工突触设备似乎代表了一种新兴的物理解决方案。在突触设备领域,具有高集成度和低功耗特点的薄膜设备备受关注。在这项工作中,我们通过不同的刺激脉冲调节突触权重,展示了短期可塑性(STP)和长期可塑性(LTP)。此外,在神经形态计算中的应用还进一步体现在图像识别上,根据修改后的美国国家标准与技术研究院数据库,图像识别的准确率达到 95.2%。因此,掺钕 Bi4Ti3O12 Memristors 作为新兴的人工突触器件,有望在人工智能领域实现突破,促进神经形态计算和智能系统的发展。
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引用次数: 0
Nanocellulose/zero, one- and two-dimensional inorganic additive based electrodes for advanced supercapacitors 基于纳米纤维素/零、一维和二维无机添加剂的先进超级电容器电极
Pub Date : 2024-05-15 DOI: 10.1016/j.mtelec.2024.100103
Ashvinder K. Rana , Phil Hart , Vijay Kumar Thakur

Nowadays, the growing threat of environmental pollution and the energy crisis have accelerated the advancement of sustainable energy sources and highly efficient energy storage technologies. Supercapacitors' outstanding efficiency and accessibility have attracted much interest in portable electronics. However, compared to other energy storage devices, commercially available supercapacitors offer minimal advantages, and it is also very difficult to balance their electrochemical performance, such as cyclability, energy density, and capacitance. Fabricating high-performance supercapacitors with attractive electrical parameters and flexibility depends on the composition of the electrodes.

Nanocellulose, which is derived from waste biomass because of its high mechanical strength, strong chemical reactivity, and biodegradability, has been used to integrate 2D, 1D, and zero-dimensional inorganic additive materials to develop a promising material for supercapacitor electrodes. The present review summarises recent advancements in the progress of nanocellulose/2D-, 1D-, and zero-dimensional inorganic material-based composite electrodes for their application in supercapacitors. Different strategies for developing nanocellulose/inorganic additive-based composite electrodes are reviewed, and subsequently, the potential of nanocellulose/multidimensional inorganic additive-based electrodes in supercapacitors is fully elaborated. In the end, current challenges and future directions for the development finally, current challenges and future directions for developing nano cellulose-based nanocomposite electrodes in supercapacitors were also discussed.

如今,环境污染和能源危机的威胁日益严重,加速了可持续能源和高效储能技术的发展。超级电容器的出色效率和易用性引起了便携式电子产品的极大兴趣。然而,与其他储能设备相比,市售超级电容器的优势微乎其微,而且很难平衡其电化学性能,如循环性、能量密度和电容。从废弃生物质中提取的纳米纤维素具有机械强度高、化学反应活性强、可生物降解等特点,因此已被用来整合二维、一维和零维无机添加材料,从而开发出一种前景广阔的超级电容器电极材料。本综述总结了纳米纤维素/二维、一维和零维无机材料基复合电极在超级电容器应用方面的最新进展。综述了开发基于纳米纤维素/无机添加剂的复合电极的不同策略,随后全面阐述了基于纳米纤维素/多维无机添加剂的电极在超级电容器中的应用潜力。最后,还讨论了超级电容器中基于纳米纤维素的纳米复合电极目前面临的挑战和未来的发展方向。
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引用次数: 0
Non-linear Hall effects: Mechanisms and materials 非线性霍尔效应:机理与材料
Pub Date : 2024-05-10 DOI: 10.1016/j.mtelec.2024.100101
Arka Bandyopadhyay, Nesta Benno Joseph, Awadhesh Narayan

This review presents recent breakthroughs in the realm of nonlinear Hall effects, emphasizing central theoretical foundations and recent experimental progress. We elucidate the quantum origin of the second-order Hall response, focusing on the Berry curvature dipole, which may arise in inversion symmetry broken systems. The theoretical framework also reveals the impact of disorder scattering effects on the nonlinear response. We further discuss the possibility of obtaining nonlinear Hall responses beyond the second order. We examine symmetry-based indicators essential for the manifestation of nonlinear Hall effects in time-reversal symmetric crystals, setting the stage for a detailed exploration of theoretical models and candidate materials predicted to exhibit sizable and tunable Berry curvature dipole. We summarize groundbreaking experimental reports on measuring both intrinsic and extrinsic nonlinear Hall effects across diverse material classes. Finally, we highlight some of the other intriguing nonlinear effects, including nonlinear planar Hall, nonlinear anomalous Hall, and nonlinear spin and valley Hall effects. We conclude with an outlook on pivotal open questions and challenges, marking the trajectory of this rapidly evolving field.

这篇综述介绍了非线性霍尔效应领域的最新突破,强调了核心理论基础和最新实验进展。我们阐明了二阶霍尔响应的量子起源,重点是贝里曲率偶极子,它可能出现在反转对称破缺系统中。理论框架还揭示了无序散射效应对非线性响应的影响。我们进一步讨论了获得二阶以上非线性霍尔响应的可能性。我们研究了时间反转对称晶体中非线性霍尔效应表现所必需的基于对称性的指标,为详细探索理论模型和候选材料奠定了基础,这些理论模型和候选材料预计会表现出可观且可调的贝里曲率偶极子。我们总结了测量不同材料类别的内在和外在非线性霍尔效应的突破性实验报告。最后,我们重点介绍了其他一些有趣的非线性效应,包括非线性平面霍尔、非线性反常霍尔以及非线性自旋和山谷霍尔效应。最后,我们对关键的开放性问题和挑战进行了展望,标志着这一快速发展领域的发展轨迹。
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引用次数: 0
Highly flexible and transparent amorphous indium doped tin oxide on bio-compatible polymers for transparent wearable sensors 用于透明可穿戴传感器的生物兼容聚合物上的高柔性透明非晶掺铟氧化锡
Pub Date : 2024-05-07 DOI: 10.1016/j.mtelec.2024.100104
Yu-Kyung Oh , Minchul Sung , Jin Woong Kim , Han-Ki Kim

Highly transparent and flexible amorphous Sn-doped In2O3 (a-ITO) films deposited on flexible and bio-compatible cyclic olefin polymer (COP) substrate using a direct-current magnetron sputtering at room temperature were used as flexible and transparent electrodes for transparent wearable sensors. The figure of merits (FoM) value was calculated to determine the optimal sputtering process for the a-ITO electrodes by varying the direct current power, working pressure, oxygen flow rate, and a-ITO thickness. The optimized a-ITO/COP with a high FoM value of 8.9 exhibited a low sheet resistance of 36 Ohm/square, average transmittances of 89.5 % in the visible wavelength region, and a small critical bending radius of 7 mm, which are acceptable transparent electrodes for fabrication of wearable and transparent wearable sensors. To demonstrate the feasibility of the a-ITO/COP substrate as a promising wearable sensor, we examined the performance of wearable temperature sensors, wearable heaters, and wearable glucose sensors. The successful operation of a-ITO/COP-based temperature sensors with high sensitivity, transparent heaters with a saturation temperature of 87.8 °C at 6 V, and glucose sensors with high sensitivity indicates that a-ITO/COP is a promising bio-compatible electrode for next-generation wearable bionic electronics.

利用直流磁控溅射技术在室温下在柔性和生物兼容的环烯烃聚合物(COP)基底上沉积的高透明柔性非晶掺杂锡 In2O3(a-ITO)薄膜被用作透明可穿戴传感器的柔性透明电极。通过改变直流电功率、工作压力、氧气流速和 a-ITO 厚度,计算了优点值 (FoM),以确定 a-ITO 电极的最佳溅射工艺。优化后的 a-ITO/COP 具有 8.9 的高 FoM 值,其薄片电阻低至 36 欧姆/平方,在可见光波长区域的平均透射率为 89.5%,临界弯曲半径小至 7 毫米,是可用于制造可穿戴和透明可穿戴传感器的透明电极。为了证明 a-ITO/COP 衬底作为一种有前途的可穿戴传感器的可行性,我们对可穿戴温度传感器、可穿戴加热器和可穿戴葡萄糖传感器的性能进行了研究。基于 a-ITO/COP 的高灵敏度温度传感器、6 V 饱和温度为 87.8 ℃ 的透明加热器和高灵敏度葡萄糖传感器的成功运行表明,a-ITO/COP 是下一代可穿戴仿生电子产品中一种很有前途的生物兼容电极。
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引用次数: 0
Transport studies in piezo-semiconductive ZnO nanotetrapod based electronic devices 基于压电半导体的氧化锌纳米四极管电子器件的传输研究
Pub Date : 2024-04-30 DOI: 10.1016/j.mtelec.2024.100102
Zhiwei Zhang , Morten Willatzen , Yogendra Kumar Mishra , Zhong Lin Wang

ZnO nanotetrapods (ZnO NTs) with a non-centrosymmetric crystal structure consisting of four 1-D arms interconnected together through a central crystalline core, introduce interesting piezoelectric semiconducting responses in nanorods in the bent state. Considering the widespread applications of nanotetrapods in semiconductor devices, it becomes very crucial to establish a coupled model based on piezoelectric and piezotronic effects to investigate the carrier transport mechanism, which is being reported here in detail for the first time. In this work, we established a multiphysics coupled model of stress-regulated charge carrier transport by the finite element method (FEM), which considers the full account of the wurtzite (WZ) and zinc blende (ZB) regions as well as the spontaneous polarization dependence and the dependence of the material properties on the arm orientation. It is discovered that the forward gain of ZnO NT in the lateral force working mode is almost 50 % higher than that in the nanorod or in the normal force working mode while the reverse current is reduced to negligible. Through the simulation calculations and corresponding analysis, it is confirmed that the developed piezoelectric polarization charges are able to regulate the transport and distribution of carriers in ZnO crystal, which lays a theoretical foundation for the application of piezo-semiconductive ZnO NT devices in advanced technologies.

具有非中心对称晶体结构的氧化锌纳米晶带(ZnO NTs)由四个一维臂组成,通过一个中心晶核相互连接在一起,在弯曲状态的纳米棒中引入了有趣的压电半导体响应。考虑到纳米四极管在半导体器件中的广泛应用,建立一个基于压电效应和压电效应的耦合模型来研究载流子传输机制变得非常重要。在这项工作中,我们通过有限元法(FEM)建立了应力调控电荷载流子传输的多物理场耦合模型,该模型充分考虑了沃特兹体(WZ)和锌混晶(ZB)区域,以及自发极化依赖性和材料特性对臂取向的依赖性。研究发现,ZnO NT 在侧向力工作模式下的正向增益比纳米棒或法向力工作模式下的正向增益高出近 50%,而反向电流则减小到可以忽略不计。通过模拟计算和相应分析,证实了所开发的压电极化电荷能够调节 ZnO 晶体中载流子的传输和分布,为压电半导体 ZnO NT 器件在先进技术中的应用奠定了理论基础。
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引用次数: 0
Aromatic spacer engineering for 2D halide perovskites and their application in solar cells 二维卤化物包晶的芳香族间隔物工程及其在太阳能电池中的应用
Pub Date : 2024-04-30 DOI: 10.1016/j.mtelec.2024.100100
Yi Shen , Siliang Hu , You Meng , SenPo Yip , Johnny C. Ho

Perovskites have emerged as a promising new generation of photovoltaic conversion materials, gradually surpassing traditional silicon-based materials in solar cell research. This development is primarily due to their superior power-conversion efficiency (PCE), simple fabrication process, and cost-effective production. However, the low stability of perovskite ionic crystals poses a significant challenge to their stability, hindering the progress of perovskite materials and devices. Although two-dimensional (2D) perovskites offer improved stability, adding organic amine ions results in a quantum confinement effect that reduces the optoelectronic performance of devices. To counter this issue, the strategic design of suitable spacer cations offers a potential solution. Aromatic amine ions possess greater polarity and structural adjustability compared to aliphatic amine ions, making them advantageous in mitigating the quantum confinement effect. This review focuses on phenylethylammonium (PEA) as a representative aromatic spacer cation. It categorizes the evolution of these cations into four trajectories: alkyl chain modification, substitution of hydrogen atoms on the aromatic ring with specific substituents, replacement of benzene rings with aromatic heterocycles, and utilization of multiple aromatic rings instead of a monoaromatic ring. The structure, properties, and corresponding device performance of aromatic spacer cations utilized in reported 2D perovskites are discussed, followed by the presentation of a series of factors for selecting and designing aromatic amine ions for future development.

在太阳能电池研究领域,包光体已逐渐超越传统的硅基材料,成为前景广阔的新一代光电转换材料。这一发展主要得益于其卓越的功率转换效率(PCE)、简单的制造工艺和低成本生产。然而,过氧化物离子晶体的低稳定性对其稳定性提出了巨大挑战,阻碍了过氧化物材料和器件的发展。虽然二维(2D)包晶石具有更高的稳定性,但添加有机胺离子会导致量子束缚效应,从而降低器件的光电性能。为解决这一问题,战略性地设计合适的间隔阳离子是一种潜在的解决方案。与脂肪族胺离子相比,芳香族胺离子具有更强的极性和结构可调节性,因此在减轻量子禁锢效应方面具有优势。本综述重点介绍作为芳香族间隔阳离子代表的苯乙基铵(PEA)。它将这些阳离子的演变分为四种轨迹:烷基链改性、用特定取代基取代芳香环上的氢原子、用芳香杂环取代苯环以及利用多个芳香环取代单芳香环。本文讨论了已报道的二维过氧化物晶石中使用的芳香族间隔阳离子的结构、性质和相应的器件性能,随后提出了一系列选择和设计芳香族胺离子的因素,以供未来开发之用。
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引用次数: 0
Neuromorphic optoelectronic devices based on metal halide perovskite 基于金属卤化物包晶的神经形态光电设备
Pub Date : 2024-04-22 DOI: 10.1016/j.mtelec.2024.100099
Qiang Liu , Yiming Yuan , Junchi Liu , Wenbo Wang , Jiaxin Chen , Wentao Xu

Neuromorphic electronics has received increased attention for their application in brain-inspired computing and artificial sensorimotor nerves. Metal halide perovskite (MHP) has been proved to be a candidate material for use in optoelectronic neuromorphic devices. Herein, we review on the recent research progress of MHP materials, with the focus on their applications in neuromorphic optoelectronics. First, we review on the MHP materials that are used for optoelectronic devices especially for neuromorphic applications, in the sequence of all-inorganic, organic-inorganic hybrid and lead-free MHP materials. Then, we summarize the design and fabrication of two-terminal (2-T) and three-terminal (3-T) synaptic devices, including working mechanisms as operated by electrical and light inputs, and the relationship between electrical properties with material composition and structure of functional layers. Finally, we review on the applications of these devices on pattern recognition, bionic vision, neuromorphic sensing and modulation, experience and associative learning, logic computing and high-pass filtering. This review aims could potentially inspire future research in the field of neuromorphic optoelectronic electronics.

神经形态电子学因其在大脑启发计算和人工传感运动神经中的应用而受到越来越多的关注。金属卤化物包晶(MHP)已被证明是一种可用于神经形态光电器件的候选材料。在此,我们将回顾 MHP 材料的最新研究进展,重点关注其在神经形态光电子学中的应用。首先,我们按照全无机、有机-无机混合和无铅 MHP 材料的顺序,回顾了用于光电器件尤其是神经形态应用的 MHP 材料。然后,我们总结了两端(2-T)和三端(3-T)突触器件的设计和制造,包括由电和光输入操作的工作机制,以及电特性与材料成分和功能层结构之间的关系。最后,我们回顾了这些装置在模式识别、仿生视觉、神经形态传感和调制、经验和联想学习、逻辑计算和高通滤波等方面的应用。本综述旨在为神经形态光电电子学领域的未来研究提供潜在启发。
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引用次数: 0
Dynamical self-rectifying memristors based on halide perovskite nanocrystals 基于卤化物过氧化物纳米晶体的动态自校正忆阻器
Pub Date : 2024-04-16 DOI: 10.1016/j.mtelec.2024.100098
Ziyu He, Yuncheng Mu, Shu Zhou

The integration of rectifying effects with resistance switching in a self-rectifying memristor offers the opportunity to suppress the sneak current in high-density crossbar arrays for energy-efficient neuromorphic computing. Here, we report a new type of two-terminal self-rectifying memristor that gets rid of asymmetric complex structures by using CsPbBr3 perovskite nanocrystals (NCs). The simple metal-insulator-metal (Au/CsPbBr3 NCs/Au) configuration that eases integration exhibits multiple resistance states that can be precisely controlled by the stimulus properties and dynamical rectifying characteristics dependent on both the bias voltage and bias time. We have extended an earlier proposed theory that predicts electric-potential-distribution-controlled rectification to rationalize all the observed rectifying behavior that are regulated by mobile-ion-induced interfacial electrochemical reactions and found excellent agreement between theory and experiments. Our study thus demonstrates the possibility of constructing controllable self-rectifying memristors without involving asymmetric complex structures, paving a new way for resolving the sneak current issue in crossbar arrays of memristors.

在自整流忆阻器中整合整流效应和电阻开关,为抑制高密度交叉棒阵列中的潜行电流提供了机会,从而实现高能效的神经形态计算。在这里,我们报告了一种新型双端自整流忆阻器,它通过使用 CsPbBr3 包晶石纳米晶体(NCs)摆脱了不对称的复杂结构。这种易于集成的简单金属-绝缘体-金属(Au/CsPbBr3 NCs/Au)结构呈现出多种电阻状态,可通过刺激特性和动态整流特性精确控制,而动态整流特性则取决于偏置电压和偏置时间。我们扩展了早先提出的预测电位分布控制整流的理论,以合理解释所有观察到的由移动离子诱导的界面电化学反应调节的整流行为,并发现理论与实验之间存在极好的一致性。因此,我们的研究证明了在不涉及非对称复杂结构的情况下构建可控自整流忆阻器的可能性,为解决忆阻器交叉棒阵列中的潜行电流问题铺平了新的道路。
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引用次数: 0
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