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Modeling to study the shape, dimensionality and crystal structure dependence of energy band gap in nanosized semiconductors 建模研究纳米级半导体能带隙的形状、尺寸和晶体结构相关性
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-09-15 DOI: 10.1007/s10825-024-02229-7
Monika Goyal

In the present paper, a simple qualitative model is proposed to study the effect of dimension and crystal structure on the energy band gap of semiconducting nanomaterials. The energy band gap variation is studied for nanoparticles, nanowires and thin films. The model takes into account the crystal structure and to incorporate the effect of crystal structure on energy band gap, lattice packing fraction is included in the mathematical formulation. The model does not involve any approximation or adjustable parameter. The study on nanosized semiconductors is performed. The model results depict the increase in the energy bandgap of nanosized semiconductors with reduction in size to nanoscale. Based on dimensionality, increment in energy band gap of spherical nanoparticles (NP’s) is more than that in cylindrical nanowires (NW’s) and thin films. The model results are found in good agreement with compared experimental and stimulated data. Drastic increase in energy band gap in nano-semiconductor of diameter or height less than 10 nm is due to the quantum confinement of charge carriers with increase in the surface area/volume ratio. With reduction in size of the Nano semiconductor, increase in the Band gap is observed leading to the blue shift. The energy band gap dependence on size in the nanorange has opened the possibility of tuning the energy band gap of the nanomaterials and use them in the opto-electronic devices.

本文提出了一个简单的定性模型来研究尺寸和晶体结构对半导体纳米材料能带隙的影响。研究了纳米颗粒、纳米线和薄膜的能带间隙变化。该模型考虑了晶体结构,并将晶体结构对能带隙的影响、晶格堆积分数纳入数学公式。该模型不涉及任何近似或可调参数。对纳米级半导体进行了研究。模型结果表明,随着尺寸缩小到纳米级,纳米级半导体的能带隙会增大。根据尺寸,球形纳米粒子(NP)的能带隙增量大于圆柱形纳米线(NW)和薄膜。模型结果与对比的实验数据和激发数据十分吻合。直径或高度小于 10 纳米的纳米半导体能带隙的急剧增大是由于电荷载流子的量子束缚随着表面积/体积比的增大而增大。随着纳米半导体尺寸的减小,能带隙也随之增大,从而导致蓝移。能带间隙与纳米尺寸的关系为调整纳米材料的能带间隙并将其用于光电子器件提供了可能。
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引用次数: 0
Analyzing the operational versatility of advanced IBC solar cells at different temperatures and also with variation in minority carrier lifetimes 分析先进 IBC 太阳能电池在不同温度下的多功能性以及少数载流子寿命的变化情况
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-09-14 DOI: 10.1007/s10825-024-02232-y
Shiladitya Acharyya, Dibyendu Kumar Ghosh, Dipali Banerjee, Santanu Maity

In this work, doped and dopant-free carrier-selective passivating contacts have been incorporated in Interdigitated Back Contact solar cells. TCAD simulation study was done to check the performance of an IBC-SHJ (Silicon Hetero-Junction) and IBC-POLO (POLy-silicon on Oxide as seen in TOPCon) cell structures for both p and n-type wafers. The IBC-POLO structure was also repeated with HfO2 and ZrO2 over electron transport and hole transport layers, respectively. Simulation study was done by replacing the doped silicon layers with dopant-free Transition Metal Oxides (TMOs). NiO was used as a dopant-free hole-selective contact, whereas Nb2O5 was used a dopant-free electron-selective contact. The fabrication of these materials is non-hazardous and at low temperatures due to which they are preferable over the doped Si layers that require toxic gases like phosphine, diborane, etc. and may also require high temperatures. For example, poly-Si layer applied in IBC-POLO requires an annealing temperature of over 800 °C; similarly, the diffusion of Front Surface Field (FSF) layer in normal IBC cells also requires the same high temperature. Temperature variation was done on these structures to check the dependence of solar PV parameters of each IBC structure on different temperatures. Same variation was checked with minority carrier lifetime of the silicon wafer.

在这项研究中,掺杂和无掺杂的载流子选择性钝化触点被应用于交织背触点太阳能电池中。TCAD 模拟研究检查了 IBC-SHJ(硅异质结)和 IBC-POLO(TOPCon 中的氧化物上的多晶硅)电池结构在 p 型和 n 型晶片上的性能。在 IBC-POLO 结构中,电子传输层和空穴传输层分别使用了 HfO2 和 ZrO2。模拟研究用无掺杂剂的过渡金属氧化物(TMOs)取代了掺杂硅层。氧化镍被用作无掺杂的空穴选择触点,而氧化铌则被用作无掺杂的电子选择触点。这些材料的制造过程无毒无害,而且温度较低,因此比需要磷化氢、二硼烷等有毒气体和高温的掺杂硅层更受欢迎。例如,应用于 IBC-POLO 的聚硅层需要超过 800 °C 的退火温度;同样,普通 IBC 电池中的前表面场 (FSF) 扩散层也需要相同的高温。对这些结构进行了温度变化,以检查每种 IBC 结构的太阳能光伏参数对不同温度的依赖性。同样的变化也与硅晶片的少数载流子寿命有关。
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引用次数: 0
Chaotic computing cell based on nanostructured phase-change materials 基于纳米结构相变材料的混沌计算单元
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-09-13 DOI: 10.1007/s10825-024-02221-1
A. A. Nevzorov, A. A. Burtsev, A. V. Kiselev, V. A. Mikhalevsky, V. V. Ionin, N. N. Eliseev, A. A. Lotin

This paper presents and investigates a new architecture of a computational cell based on nanoparticles of the phase-change material Ge2Sb2Te5. Such a cell is a chaotic array of nanoparticles deposited between closely spaced electrical contacts. The state of such a structure is determined by the resistance of the nanoparticle array, which depends on the phase state of each particle of the material. Simulation results show that the proposed structure has a number of electrical states switching features that cannot be achieved using a thin film architecture. The proposed architecture allows for smoother and more controlled switching of the resistance by electrical pulses. Simulation of the evolution of the cell state using complex control actions showed that the proposed structure can behave as an artificial convolutional neuron with horizontal connections and also as a multi-level memory cell. In addition, the proposed design is technologically simple to achieve and inexpensive to manufacture.

本文介绍并研究了一种基于相变材料 Ge2Sb2Te5 纳米粒子的新型计算单元结构。这种电池是沉积在间距紧密的电触点之间的纳米粒子的混沌阵列。这种结构的状态由纳米粒子阵列的电阻决定,而电阻则取决于材料中每个粒子的相态。模拟结果表明,所提出的结构具有一些薄膜结构无法实现的电状态切换功能。所提出的结构可以通过电脉冲实现更平滑、更可控的电阻切换。利用复杂的控制动作模拟电池状态的演变表明,所提出的结构可以作为具有水平连接的人工卷积神经元,也可以作为多级存储单元。此外,所提出的设计在技术上简单易行,制造成本低廉。
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引用次数: 0
Features of paramagnetism of a two-dimensional electron gas depending on concentration and temperature 二维电子气体的顺磁特性取决于浓度和温度
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-09-11 DOI: 10.1007/s10825-024-02231-z
P. J. Baymatov, B. T. Abdulazizov, O. M. Yunusov, Kh. N. Juraev, A. A. Saydaliev

The numerical and analytical results of a study on the paramagnetism of a two-dimensional electron gas depending on concentration and temperature are presented. The dependence of spin susceptibility on the width of the quantum well, temperature, concentration, and chemical potential at the resonance points and away from it was analyzed. The susceptibility was analyzed in the model of an ideal gas with a parabolic spectrum and a quantum well of infinite depth. The numerical results of the susceptibility calculation will be presented in graphs for different temperatures, quantum well widths, and concentrations.

本文介绍了二维电子气体的顺磁性取决于浓度和温度的数值和分析结果。研究分析了自旋磁感应强度与量子阱宽度、温度、浓度以及共振点和远离共振点的化学势的关系。在具有抛物线光谱和无限深度量子井的理想气体模型中分析了自旋感度。不同温度、量子井宽度和浓度下的电感计算结果将以图表形式呈现。
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引用次数: 0
Simulations of RF wave-induced modulation of filament growth and bipolar resistive switching in conductive bridging RAM 导电桥接 RAM 中射频波诱导的灯丝生长调制和双极电阻开关模拟
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-09-10 DOI: 10.1007/s10825-024-02228-8
Yifei Yin, Toshihiro Nakaoka

We have simulated Ag–Ge–Te-based conductive bridge RAM (CBRAM) under RF electromagnetic wave input to investigate the RF effects on heat transfer and electrochemical reaction. The RF simulations agreed with the experimental transmission coefficient S21 between 0.4 and 1 GHz, indicating an effective, uniform electric field applied in the RF-applicable CBRAMs. The heat transfer simulations showed a minimal temperature increase of about 1 K under the RF wave at 10 MHz and 10 dBm, indicating negligible thermal effects. The electrochemical simulations were based on the Nernst–Planck equation, taking into account the Ag ion transport in the Ag–GeTe electrolyte by diffusion and migration. Electrode kinetics were calculated for charge transfer reactions using the Butler–Volmer equation. The cathode electrode moved at a velocity equal to the rate of Ag electrodeposition on the cathode. The electrode movement represented filament growth. The electrochemical simulations successfully reproduced filament growth, bipolar resistive switching, experimental currents, and SET/RESET voltages. In addition, the electrochemical simulations under RF waves showed a decrease in the magnitude of SET and RESET voltages, consistent with experimental observations. The RF-induced SET/RESET voltage modulation was attributed to redox reactions that changed the average ion concentration during RF cycles, accelerating filament growth and dissolution.

我们模拟了射频电磁波输入下的 Ag-Ge-Te 基导电桥式 RAM(CBRAM),以研究射频对热传导和电化学反应的影响。射频模拟结果与 0.4 至 1 GHz 范围内的实验传输系数 S21 一致,表明射频适用的 CBRAM 中存在有效、均匀的电场。热传导模拟显示,在 10 MHz 和 10 dBm 的射频波下,温度升高幅度最小,约为 1 K,表明热效应可以忽略不计。电化学模拟以 Nernst-Planck 方程为基础,考虑了 Ag-GeTe 电解质中通过扩散和迁移进行的 Ag 离子传输。使用巴特勒-沃尔默方程计算了电荷转移反应的电极动力学。阴极电极的移动速度等于阴极上的银电沉积速率。电极的移动代表了灯丝的生长。电化学模拟成功地再现了灯丝生长、双极电阻开关、实验电流和 SET/RESET 电压。此外,射频波下的电化学模拟还显示出 SET 和 RESET 电压幅度的减小,这与实验观察结果一致。射频引起的 SET/RESET 电压调制归因于氧化还原反应,这种反应在射频周期中改变了平均离子浓度,加速了灯丝的生长和溶解。
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引用次数: 0
A simulation study of electrostatically doped silicene and graphene nanoribbon FETs 静电掺杂硅烯和石墨烯纳米带 FET 的模拟研究
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-09-10 DOI: 10.1007/s10825-024-02224-y
Armin Gooran-Shoorakchaly, Sarah Safura Sharif, Yaser Mike Banad

This paper evaluates the performance of electrostatic-doped silicene nanoribbon field-effect transistors (ED SiNR-FET) and graphene nanoribbon field-effect transistors (ED GNR-FET) through quantum-based electron transport simulations. It assesses the impact of ribbon widths and device geometry, revealing that ED SiNR-FET generally outperforms ED GNR-FET, particularly in terms of resistance to impurities and short-channel effects. The study identifies optimal ribbon widths for superior performance and introduces the extended channel ED (ECED) structure, which significantly enhances the ION/IOFF ratio to 3.8 × 105 in SiNR-FET compared to 3.9 × 103 in GNR-FET for 15 nm devices. Additionally, analyses of ECED SiNR-FETs and ECED GNR-FET across various channel and gate lengths suggest that ECED devices are suitable for low-power and high-performance applications, with the ECED SiNR-FET displaying excellent subthreshold swing (SS) of 64 mV/dec and high transconductance (gm) of 63 µS. This research confirms the advanced performance of SiNR-FETs over GNR-FETs and the potential of ECED SiNR-FETs in diverse applications.

本文通过基于量子的电子传输模拟,评估了静电掺杂硅纳米带场效应晶体管(ED SiNR-FET)和石墨烯纳米带场效应晶体管(ED GNR-FET)的性能。研究评估了色带宽度和器件几何形状的影响,发现 ED SiNR-FET 通常优于 ED GNR-FET,特别是在抗杂质和短沟道效应方面。研究确定了实现卓越性能的最佳带宽,并引入了扩展沟道 ED(ECED)结构,该结构显著提高了 SiNR-FET 的 ION/IOFF 比率,使其达到 3.8 × 105,而在 15 nm 器件中,GNR-FET 的 ION/IOFF 比率仅为 3.9 × 103。此外,对不同沟道和栅极长度的 ECED SiNR-FET 和 ECED GNR-FET 的分析表明,ECED 器件适用于低功耗和高性能应用,其中 ECED SiNR-FET 显示出 64 mV/dec 的出色亚阈值摆幅 (SS) 和 63 µS 的高跨导 (gm)。这项研究证实了 SiNR-FET 比 GNR-FET 更先进的性能,以及 ECED SiNR-FET 在各种应用中的潜力。
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引用次数: 0
On efficient modeling of drain current for designing high-power GaN HEMT-based circuits 为设计基于 GaN HEMT 的大功率电路建立漏极电流的高效模型
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-09-09 DOI: 10.1007/s10825-024-02225-x
Anwar Jarndal, Famin Rahman Rakib, Mohammad Abdul Alim

In this paper, different modeling approaches to the drain current, including analytical and artificial neural network (ANN) modeling, are investigated. The adopted models address the inherent self-heating and kink effects, especially in high-power GaN-based high electron mobility transistors (HEMTs). Different optimization algorithms were demonstrated for extracting the model parameters, including genetic algorithm optimization (GAO), gray wolf optimization (GWO), growth optimization (GO), and particle swarm optimization (PSO). The modeling approaches are applied to DC IV measurements of 1-mm, 4-mm, and 2-mm GaN HEMTs on SiC and Si substrates. An improved optimization procedure was applied to the analytical models to find the main parameters responsible for fitting the general nonlinear behavior of the device. Then, the thermal or self-heating parameters are tuned for best fitting in the high-power dissipation region. The kink effect has been counted by adding another factor to the analytical formula to characterize the voltage dependency of this effect. The ANN modeling provides an efficient and cost-effective solution to accurately simulate the IV characteristics with less effort. In this technique, there is no need for a predefined closed formula or a complicated fitting parameter extraction process. Also, the model training was enhanced by using a genetic algorithm augmented backpropagation technique. The investigated analytical and ANN techniques were demonstrated by modeling the IV characteristics of the considered GaN HEMTs. The results obtained confirm the advantages of using ANN modeling for solving such problems and large-signal modeling applications.

本文研究了漏极电流的不同建模方法,包括分析和人工神经网络 (ANN) 建模。所采用的模型解决了固有的自热和扭结效应,特别是在基于氮化镓的大功率高电子迁移率晶体管(HEMT)中。为提取模型参数,演示了不同的优化算法,包括遗传算法优化 (GAO)、灰狼优化 (GWO)、生长优化 (GO) 和粒子群优化 (PSO)。这些建模方法应用于碳化硅和硅衬底上 1 毫米、4 毫米和 2 毫米 GaN HEMT 的直流 IV 测量。对分析模型采用了改进的优化程序,以找到适合器件一般非线性行为的主要参数。然后,对热参数或自热参数进行调整,以便在高功率耗散区域实现最佳拟合。通过在分析公式中添加另一个系数来计算扭结效应,从而确定该效应的电压依赖性。ANN 建模提供了一种高效、经济的解决方案,能以较少的工作量精确模拟 IV 特性。在这种技术中,不需要预定义的封闭公式或复杂的拟合参数提取过程。此外,还通过使用遗传算法增强反向传播技术来增强模型训练。通过对所考虑的 GaN HEMT 的 IV 特性建模,展示了所研究的分析和 ANN 技术。所获得的结果证实了使用方差网络建模解决此类问题和大信号建模应用的优势。
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引用次数: 0
Synergistic effect of total ionizing dose and single event gate rupture in MOSFET with Si3N4–SiO2 stacked gate 带 Si3N4-SiO2 叠层栅极的 MOSFET 中总电离剂量和单次栅极破裂的协同效应
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-09-06 DOI: 10.1007/s10825-024-02227-9
Rongxing Cao, Hanxun Liu, Kejia Wang, Dike Hu, Yiyuan Wang, Xianghua Zeng, Yuxiong Xue

The synergistic effect of total ionizing dose on single event gate rupture (SEGR) was simulated in the vertical double diffusion metal oxide semiconductor device with SiO2–Si3N4 stacked gate layer. In comparison to the device with a single SiO2 gate layer, the synergistic effect was revealed to be suppressed in the device with SiO2–Si3N4 stacked layer. The mechanism is that the oxide layer is a sensitive area of the SEGR effect. Compared with the single SiO2 layer, the superposition of the additional electric field formed by the trapped holes in the sensitive area of the stacked layer leads to a decrease in the sensitivity of the synergistic effect, which is more obvious with increasing the volume of the Si3N4 layer.

在具有 SiO2-Si3N4 堆叠栅极层的垂直双扩散金属氧化物半导体器件中模拟了总电离剂量对单次栅极破裂(SEGR)的协同效应。与单一二氧化硅栅极层的器件相比,SiO2-Si3N4 叠层器件的协同效应受到了抑制。其机理是氧化层是 SEGR 效应的敏感区域。与单 SiO2 层相比,叠层敏感区域中的陷落空穴形成的附加电场的叠加导致协同效应的灵敏度降低,这一点随着 Si3N4 层体积的增大而更加明显。
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引用次数: 0
Systematic analysis of lead-free halide K2SnX6 (X = Cl, Br, I) double perovskites for solar cell applications 用于太阳能电池应用的无铅卤化物 K2SnX6(X = Cl、Br、I)双包晶的系统分析
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-09-05 DOI: 10.1007/s10825-024-02222-0
Huma Habib, Mazhar Haleem, Muhammad Rashid, Awais Ali, Arshad Saleem Bhatti, Zulqurnain Ali, Mujtaba Hussain

Perovskites possessing lead have gained immense consideration recently owing to their unique optoelectronic properties. Thus, they are considered highly suitable materials for solar power and harvesting applications. However, the instability of perovskites in air and moisture, along with the toxicity of lead, has limited their use in developing practical devices. In this work, detailed first-principles research was carried out to discover the basic structural, electronic, optical, and thermoelectric properties of cubic lead-free double perovskites K2SnX6 (X = Cl, Br, I). All structures exhibited good mechanical stability as they satisfied the Born criteria. The values of their Poisson’s (v) and Pugh’s ratios (B0/G) exceeded the critical numbers of 0.26 and 1.75, respectively, revealing their ductile nature. The bandgap calculations for the structures were accomplished using the generalized gradient approximation (GGA), which revealed that these perovskites exhibited direct band gaps except K2SnI6, having metallic characteristics. The bandgaps were also calculated by adding the modified Becke–Johnson potential (TB-mBJ). Moreover, computed refractive indices for K2SnBr6 and K2SnI6 revealed excellent luminescent properties in the UV region. The figure of merit (ZT) for K2SnCl6 and K2SnBr6 approached 1, whereas its value was around 0.568 for K2SnI6 at room temperature. The conclusions of this study provide sufficient evidence that these perovskite structures K2SnX6 (X = Cl, Br, I) show immense potential for upcoming energy conversion and solar cell-based technologies.

Graphical abstract

由于具有独特的光电特性,含铅的过氧化物最近受到了广泛的关注。因此,它们被认为是非常适合太阳能和太阳能收集应用的材料。然而,过氧化物在空气和湿气中的不稳定性以及铅的毒性限制了它们在开发实用设备中的应用。本研究对立方无铅双包晶石 K2SnX6(X = Cl、Br、I)的基本结构、电子、光学和热电特性进行了详细的第一原理研究。由于所有结构都符合玻恩标准,因此具有良好的机械稳定性。它们的泊松比(v)和普氏比(B0/G)分别超过了 0.26 和 1.75 的临界值,显示了它们的延展性。利用广义梯度近似法(GGA)对这些结构的带隙进行了计算,结果表明,除了具有金属特性的 K2SnI6 外,这些包晶均表现出直接带隙。此外,还通过添加修正的贝克-约翰逊势(TB-mBJ)计算了带隙。此外,K2SnBr6 和 K2SnI6 的计算折射率显示了其在紫外区的优异发光特性。K2SnCl6 和 K2SnBr6 的优点系数(ZT)接近 1,而 K2SnI6 在室温下的优点系数约为 0.568。这项研究的结论充分证明,这些包晶结构 K2SnX6(X = Cl、Br、I)在即将到来的能源转换和基于太阳能电池的技术中显示出巨大的潜力。
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引用次数: 0
Effects of negative hydroxyl ions at the SnO2/perovskite layer interface on the performance of perovskite solar cells 二氧化锡/过氧化物层界面上的负羟基离子对过氧化物太阳能电池性能的影响
IF 2.2 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-09-02 DOI: 10.1007/s10825-024-02212-2
Mehdi Banihashemi, Alireza Kashani Nia

In this work we studied the effects of negative hydroxyl ions at the SnO2/perovskite layer interface with respect to the performance of perovskite solar cells (PSCs). We considered a layer of 1 nm thickness, containing fixed negative ions, at the SnO2/perovskite layer interface. The density of the ions was set to 7 × 1019 cm−3 in our simulations. To maintain charge neutrality in the SnO2 electron transport layer (ETL), we calculated the number of negative ions in the 1-nm-thick layer and added the same number of positive ions to the remaining part of the ETL. According to our simulation results, the negative ions increased the internal potential drop, reducing the open-circuit voltage of the perovskite solar cell from 0.99 to 0.88 V. On the other hand, the negative non-mobile hydroxyl ions at the interface absorbed some of the mobile positive ions of the perovskite layer, which increased the hysteresis index from 0.177% to 0.707%.

在这项工作中,我们研究了二氧化锡/过氧化物层界面上的羟基负离子对过氧化物太阳能电池(PSC)性能的影响。我们考虑在二氧化锡/过氧化物层界面上形成一层厚度为 1 nm、含有固定负离子的层。在我们的模拟中,离子密度设定为 7 × 1019 cm-3。为了保持二氧化锡电子传输层(ETL)中的电荷中性,我们计算了 1 nm 厚的层中负离子的数量,并在 ETL 的剩余部分添加了相同数量的正离子。根据我们的模拟结果,负离子增加了内部电位降,使包晶石太阳能电池的开路电压从 0.99 V 降至 0.88 V。另一方面,界面上不流动的羟基负离子吸收了包晶石层的部分流动正离子,使滞后指数从 0.177% 增加到 0.707%。
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引用次数: 0
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