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Strain-Attenuating Multilayer Flexible Substrate with High Thermal Endurance for Process Compatibility with Metal Oxide Thin-Film Transistors 与金属氧化物薄膜晶体管工艺兼容的高热耐用应变衰减多层柔性衬底
IF 4.7 3区 材料科学 Q1 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-10-13 Epub Date: 2026-09-30 DOI: 10.1021/acsaelm.6c01602
Suwon Seong, Seongmin Park, Hyuk Park, Jinpyeo Jeung, Yoonyoung Chung

Thin-film transistors (TFTs) based on oxide semiconductors, represented by indium-gallium-zinc-oxide (IGZO), are widely used in the display industry and are increasingly required to operate in flexible form factors such as wearable devices and foldable displays. Although thin-film amorphous oxide semiconductors are flexible, the brittle layers in the devices are damaged under sharp or repeated bending. Strategies such as ultrathin substrates and neutral-plane engineering can mitigate the strain applied to the devices; however, they constrain the substrate handling or the device architecture. We propose a strain-attenuating substrate in which a low-modulus elastomer, polydimethylsiloxane (PDMS), is entirely encapsulated inside chemically and thermally stable polyimide (PI). The embedded PDMS reduces the strain applied to the substrate surface, and the PI encapsulation provides high thermal endurance for process compatibility with metal oxide TFT fabrication. The IGZO TFTs fabricated directly on the strain-attenuating substrate maintain their electrical characteristics after bending at a radius of 1.5 mm, with a mobility change of –0.03% and a threshold voltage shift of 0.07 V, whereas the TFTs on a conventional PI substrate of the same thickness show a mobility decrease of 74.53% and a threshold voltage shift of 3.84 V.

以铟镓锌氧化物(IGZO)为代表的基于氧化物半导体的薄膜晶体管(TFTs)在显示行业中得到了广泛的应用,并且越来越多地要求在可穿戴设备和可折叠显示器等柔性形状因素中工作。虽然薄膜非晶氧化物半导体是柔性的,但在急剧或反复弯曲下,器件中的脆性层会被破坏。诸如超薄衬底和中性平面工程等策略可以减轻施加在器件上的应变;然而,它们限制了基板处理或器件架构。我们提出了一种应变衰减衬底,其中低模量弹性体聚二甲基硅氧烷(PDMS)完全封装在化学和热稳定的聚酰亚胺(PI)中。嵌入的PDMS减少了施加在衬底表面的应变,PI封装提供了与金属氧化物TFT制造工艺兼容的高热耐久性。直接在应变衰减基板上制备的IGZO tft在弯曲半径为1.5 mm后保持其电特性,迁移率变化为-0.03%,阈值电压位移为0.07 V,而在相同厚度的传统PI基板上制备的tft迁移率下降了74.53%,阈值电压位移为3.84 V。
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引用次数: 0
Dual Action of Zeolite and Polyethylene Glycol Enables Robust and Ion-Conductive Poly(vinyl alcohol)-Based Hydrogel Electrolytes for Stable Zinc-Ion Batteries 沸石和聚乙二醇的双重作用为稳定的锌离子电池提供了坚固和离子导电的聚乙烯醇基水凝胶电解质
IF 4.7 3区 材料科学 Q1 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-09-22 Epub Date: 2026-09-11 DOI: 10.1021/acsaelm.6c01441
Yongquan Zhang, Sen Wang, Shuo Fan, Jingshun Wang, Cheng Wan, Changhai Zhang, Yue Zhang, Tiandong Zhang

Zinc-ion batteries (ZIBs) are promising candidates for large-scale energy storage owing to their high theoretical capacity, low cost, environmental benignity, and intrinsic safety. However, their practical application remains limited by interfacial side reactions at the Zn anode and insufficient electrolyte stability. Herein, a zeolite/PEG comodified PVA hydrogel electrolyte was developed by incorporating LTA zeolite and polyethylene glycol (PEG) into a poly(vinyl alcohol) (PVA) matrix. LTA zeolite enhances water retention, regulates Zn2+ transport, and improves electrolyte stability by confining free water, whereas hydrogen-bonded network between PEG and PVA improves mechanical flexibility and provides more continuous ion-conduction pathways. Owing to the dual effects of PEG and zeolite, PZ-10 retained water for 48 h and exhibited an elongation at break of 420%, while PP5-Z-10 maintained flexibility after 72 h and achieved an ionic conductivity of 1.72 × 10−2 S cm−1, 5.2 times that of pristine PVA. When assembled into ZIBs, the PP5-Z-10 electrolyte delivered a specific capacity of 190.1 mAh g−1 at 50 mA g−1 and retained 86.7% of its capacity after 500 cycles at 1000 mA g−1. These results demonstrate that the dual action of PEG and zeolite effectively improves the durability, ionic conductivity, and cycling stability of PVA-based hydrogel electrolytes, providing a practical strategy for stable Zn-based energy storage devices.

锌离子电池(zib)具有理论容量大、成本低、环境友好、本质安全等优点,是大规模储能的理想选择。然而,它们的实际应用仍然受到锌阳极界面副反应和电解质稳定性不足的限制。本文通过在聚乙烯醇(PVA)基体中掺入LTA沸石和聚乙二醇(PEG),制备了沸石/聚乙二醇(PEG)改性PVA水凝胶电解质。LTA沸石增强了保水性,调节了Zn2+的运输,并通过限制游离水提高了电解质的稳定性,而PEG和PVA之间的氢键网络提高了机械灵活性,并提供了更连续的离子传导途径。由于PEG和沸石的双重作用,PZ-10保持水分48 h,断裂伸长率为420%,而PP5-Z-10在72 h后保持柔韧性,离子电导率为1.72 × 10−2 S cm−1,是原始PVA的5.2倍。PP5-Z-10电解质在50ma g -1下的比容量为190.1 mAh g -1,在1000 mA g -1下循环500次后仍保持86.7%的容量。这些结果表明,聚乙二醇和沸石的双重作用有效地提高了pva基水凝胶电解质的耐久性、离子电导率和循环稳定性,为稳定的锌基储能装置提供了实用的策略。
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引用次数: 0
Cold-Spray Enabled Scalable Manufacturing of Flexible Graphene-Based Wearable Sensors 柔性石墨烯可穿戴传感器的冷喷涂可扩展制造
IF 4.7 3区 材料科学 Q1 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-09-22 Epub Date: 2026-09-03 DOI: 10.1021/acsaelm.6c00395
Azmal Huda Chowdhury, Denny John, Anil Lama, Rony Thomas Murickan, Arvind Agarwal

Wearable sensors are increasingly vital for health monitoring, human–machine interaction, and flexible electronics, yet their fabrication often relies on costly, multistep processes with limited scalability. In this work, we report a first ever cold spray deposition approach for fabricating flexible wearable pressure sensors using graphene nanoplatelets (GNPs) on flexible polydimethylsiloxane (PDMS) polymer. The cold spray technique enables direct, binder-free deposition of sensing films on flexible substrates, ensuring strong adhesion, mechanical robustness, and scalable manufacturing. The fabricated sensors exhibit a high sensitivity of 12.13 kPa–1, excellent durability with over 5000 stable cycles, and rapid response characteristics (12.66 ms rise time and 16.62 ms fall time). Demonstrated in real-time pulse waveform monitoring, the device highlights its potential for continuous health tracking and wearable biomedical applications. This study establishes cold spray deposition as a promising and scalable route for next-generation flexible sensors and wearable electronics.

可穿戴传感器在健康监测、人机交互和柔性电子产品中越来越重要,但它们的制造往往依赖于昂贵的多步骤工艺,可扩展性有限。在这项工作中,我们报告了一种首次使用柔性聚二甲基硅氧烷(PDMS)聚合物上的石墨烯纳米片(GNPs)制造柔性可穿戴压力传感器的冷喷涂沉积方法。冷喷涂技术可以在柔性基板上直接,无粘合剂沉积传感膜,确保强附着力,机械稳健性和可扩展的制造。该传感器具有12.13 kPa-1的高灵敏度,超过5000次稳定循环的优异耐用性,以及快速响应特性(12.66 ms上升时间和16.62 ms下降时间)。在实时脉冲波形监测中,该设备突出了其在持续健康跟踪和可穿戴生物医学应用方面的潜力。这项研究确立了冷喷涂沉积作为下一代柔性传感器和可穿戴电子产品的有前途和可扩展的路线。
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引用次数: 0
High-κ Lanthanide Oxide Enabled pA-Scale Background Current Suppression in ZnO Single-Crystal Ultraviolet Photodetectors 高κ镧系氧化物使能ZnO单晶紫外探测器的pa尺度背景电流抑制
IF 4.7 3区 材料科学 Q1 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-09-22 Epub Date: 2026-09-01 DOI: 10.1021/acsaelm.6c01471
Jianzhong Xu, Shunze Huang, Liang Li, Mengjia Li, Xin Qian, Xiwei Lai, Zewenhui Zhang, Hao Chen, Tianyu Xu, Xuefang Lu, Richeng Lin, Feng Huang

Ultraviolet (UV) detection, owing to its excellent noise immunity, is widely used in ultra-high-voltage power grid corona monitoring, fire warning, missile tracking, and medical imaging. Zinc oxide (ZnO), a wide-bandgap semiconductor, shows strong potential due to its inherent UV spectral selectivity. However, intrinsic unintentional doping defects in ZnO single crystals lead to a high background carrier concentration, which causes excessive leakage current in ZnO-based devices and limits their performance in detecting weak UV signals. In this work, by introducing a high-κ lanthanide oxide heterostructure, we achieved a pA-scale background current in a device based on a natural ZnO single crystal. A polycrystalline ytterbium oxide (Yb2O3) thin film was sputter-deposited on ZnO single crystals to form a Yb2O3/ZnO heterojunction, which reduced the dark current by 8–9 orders of magnitude in the fabricated Au/Yb2O3/ZnO metal-insulator-semiconductor (MIS)-type photodetector. The heterojunction device exhibits a notable photoresponse under 365 nm illumination, with a response time of 188.9/153.4 ms and a photocurrent-to-dark-current ratio (PDCR) of approximately 250. These results demonstrate that high-κ lanthanide oxide can be effectively used to construct heterostructures for ZnO single-crystal devices, providing a promising pathway toward developing filter-free and highly integrated ZnO single-crystal UV imaging systems.

紫外(UV)探测以其优异的抗噪性,广泛应用于特高压电网电晕监测、火灾预警、导弹跟踪、医学成像等领域。氧化锌(ZnO)是一种宽禁带半导体,由于其固有的紫外选择性而显示出强大的潜力。然而,ZnO单晶中固有的无意掺杂缺陷导致ZnO基器件的本底载流子浓度过高,从而导致ZnO基器件的漏电流过大,限制了其检测弱紫外信号的性能。在这项工作中,通过引入高κ镧系氧化物异质结构,我们在基于天然ZnO单晶的器件中实现了pa级背景电流。在ZnO单晶上溅射沉积了一层多晶氧化钇(Yb2O3)薄膜,形成Yb2O3/ZnO异质结,使制备的Au/Yb2O3/ZnO金属绝缘体半导体(MIS)型光电探测器的暗电流降低了8-9个数量级。该异质结器件在365 nm光照下表现出显著的光响应,响应时间为188.9/153.4 ms,光电流/暗电流比(PDCR)约为250。这些结果表明,高κ镧系氧化物可以有效地用于构建ZnO单晶器件的异质结构,为开发无滤波器和高集成度的ZnO单晶紫外成像系统提供了一条有希望的途径。
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引用次数: 0
Deep-Level Trap Engineering in Sn-Doped β-Ga2O3 MISFETs for Optoelectronic Memory and Reconfigurable Logic Application 用于光电存储和可重构逻辑应用的sn掺杂β-Ga2O3 misfet的深能级陷阱工程
IF 4.7 3区 材料科学 Q1 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-09-22 Epub Date: 2026-09-02 DOI: 10.1021/acsaelm.6c01476
Jin Hyuk Choi, Gyeong Seop Kim, Ji-Hoon Kang, Young Tack Lee

Nonvolatile memory platforms that avoid conventional floating-gated charge-storage layers are attracting increasing interest for next-generation data-centric electronic systems. In this work, we present a Sn-doped β-gallium oxide (β-Ga2O3) metal–insulator–semiconductor field-effect transistor (MISFET)-based optoelectronic memory (OEM) device that utilizes intrinsic deep-level trap states in the β-Ga2O3 channel as nonvolatile charge storage sites. The β-Ga2O3 OEM device exhibits stable transistor operation with a high drain current on/off ratio (>105) and a near-ideal subthreshold slope (60 mV/dec). In addition, programmable threshold voltage (Vth) modulation is achieved through electrical erasing (EE) and optical programming (OP) processes, resulting in a wide memory window of 4.2 V by applying an EE pulse of 4 V and an OP pulse under 405 nm deep blue illumination. The optically and electrically defined memory states show stable memory retention (>103 s) and memory endurance (>103 cycles). Furthermore, we integrate the OEM device into a resistive-load inverter circuit to demonstrate memory-state-dependent logic operation. By modulating the memory state, the same circuit can be reconfigured between a conventional inverter mode and an input-independent logic mode. These results highlight the potential of the β-Ga2O3 OEM as a scalable platform for next-generation nonvolatile memory technologies.

非易失性存储平台避免了传统的浮动门控电荷存储层,吸引了下一代以数据为中心的电子系统越来越多的兴趣。在这项工作中,我们提出了一种基于sn掺杂β-氧化镓(β-Ga2O3)金属-绝缘体-半导体场效应晶体管(MISFET)的光电存储(OEM)器件,该器件利用β-Ga2O3通道中的固有深能级陷阱态作为非易失性电荷存储位点。β-Ga2O3 OEM器件表现出稳定的晶体管工作,具有高漏极电流开/关比(>105)和接近理想的亚阈值斜率(60 mV/dec)。此外,通过电擦除(EE)和光编程(OP)过程实现可编程阈值电压(Vth)调制,通过在405 nm深蓝照明下施加4 V的EE脉冲和光编程脉冲,产生4.2 V的宽存储窗口。光学和电定义的记忆状态显示出稳定的记忆保留(>103 s)和记忆持久(>;103周期)。此外,我们将OEM设备集成到电阻负载逆变器电路中,以演示内存状态相关的逻辑操作。通过调制存储器状态,可以在传统的逆变器模式和输入无关逻辑模式之间重新配置相同的电路。这些结果突出了β-Ga2O3 OEM作为下一代非易失性存储技术的可扩展平台的潜力。
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引用次数: 0
Weak-Light Detectivity of Phototransistors from the Defect Passivation of Perovskite Floating Gates Utilizing Branched Carbohydrate–Siloxane Triblock Copolymers 支链碳水化合物-硅氧烷三嵌段共聚物对钙钛矿浮栅缺陷钝化的光电晶体管弱光探测性
IF 4.7 3区 材料科学 Q1 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-09-22 Epub Date: 2026-09-02 DOI: 10.1021/acsaelm.6c01265
You-Wei Cao, Ping-Jui Yu, Chin-Ming Hsu, Bi-Hsuan Lin, Redouane Borsali, Wen-Chang Chen, Yan-Cheng Lin, Yang-Yen Yu

Photodetectors are essential optoelectronic components for biotechnological sensing and optical communication systems. Perovskite materials, owing to their broad spectral absorption, high charge-carrier mobility, mechanical flexibility, and solution processability, have emerged as promising candidates for next-generation photodetection. In this work, a block copolymer composed of polydimethylsiloxane (PDMS) and maltotriose is introduced as an interfacial modifier to regulate the crystallographic, morphological, and optoelectronic properties of perovskite thin films, thereby enhancing phototransistor performance, particularly under weak-light conditions. Copolymers with different architectures exhibit distinct surface energies, enabling efficient charge transfer between perovskite polycrystalline grains and hydroxy-rich carbohydrate segments, which effectively shortens exciton lifetimes and suppresses recombination. Notably, perovskite phototransistors incorporating a two-armed branched PDMS-block-maltotriose achieve the highest device performance under 455 nm illumination. Even at an ultralow light intensity of 0.20 μW cm–2, the device exhibits a responsivity of 0.37 A W–1 and a detectivity of 4.0 × 109 Jones, demonstrating excellent sensitivity. This performance enhancement is attributed to PDMS-directed microphase separation that spatially accommodates perovskite nanocrystals within the carbohydrate matrix, where abundant hydroxy groups passivate surface defects through hydrogen bonding or Pb2+ coordination. These results highlight the potential of block-copolymer/perovskite nanohybrids for high-performance weak-light phototransistors.

光电探测器是生物技术传感和光通信系统中必不可少的光电元件。钙钛矿材料由于其广谱吸收、高载流子迁移率、机械灵活性和溶液可加工性,已成为下一代光探测的有希望的候选者。在这项工作中,由聚二甲基硅氧烷(PDMS)和麦糖三糖组成的嵌段共聚物被引入作为界面调节剂来调节钙钛矿薄膜的晶体学,形态学和光电性能,从而提高光电晶体管的性能,特别是在弱光条件下。不同结构的共聚物表现出不同的表面能,使钙钛矿多晶颗粒和富含羟基的碳水化合物段之间的电荷有效转移,有效地缩短了激子寿命并抑制了重组。值得注意的是,在455nm照明下,钙钛矿光电晶体管采用了双臂支链pdms块麦芽糖,器件性能最高。在0.20 μW cm-2的超低光强下,器件的响应度为0.37 a W-1,探测率为4.0 × 109 Jones,具有优异的灵敏度。这种性能的增强归功于pdms导向的微相分离,该微相分离在碳水化合物基质中空间上容纳钙钛矿纳米晶体,其中丰富的羟基通过氢键或Pb2+配位钝化表面缺陷。这些结果突出了嵌段共聚物/钙钛矿纳米杂化材料在高性能弱光光电晶体管中的潜力。
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引用次数: 0
Self-Powered CeO2/Ag Sensors Powered by a Triboelectric Nanogenerator for Humidity Monitoring in High-Voltage Substations 用于高压变电站湿度监测的摩擦纳米发电机自供电CeO2/Ag传感器
IF 4.7 3区 材料科学 Q1 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-09-22 Epub Date: 2026-08-28 DOI: 10.1021/acsaelm.6c01338
Benqing Xu, Zheng Zhang, Weijie Hu, Weifeng Di, Min Ju, Likun Gong

Abnormal humidity in high-voltage substations poses a critical threat to the insulation safety of electrical equipment. Conventional humidity sensors rely on external power sources or batteries, which limits their feasibility for distributed deployment in complex electromagnetic environments. In this work, a self-powered wireless humidity monitoring system is developed by integrating a CeO2/Ag heterojunction composite sensor with a triboelectric nanogenerator (TENG) and a self-starting power management module, enabling ambient wind energy harvesting. The CeO2/Ag composite is synthesized via a hydrothermal method followed by in situ reduction. Characterization results reveal that Ag nanoparticles are uniformly distributed on the CeO2 surface. The sensor operates over a wide relative-humidity range of 0–97% RH and reaches a maximum response of 96.98% at 97% RH, with response and recovery times of 8.7 and 17.9 s, respectively. Density functional theory calculations demonstrate that the CeO2/Ag heterointerface significantly enhances water molecule adsorption and charge transfer through Schottky barrier modulation, with an adsorption energy of –1.447 eV. The TENG achieves a peak power of 732 μW, and the integrated system enables wireless data transmission every 75 s at a rotational speed of 200 rpm. This work offers a promising solution for self-powered, distributed humidity monitoring in substations and other complex industrial environments.

高压变电站湿度异常对电气设备的绝缘安全构成严重威胁。传统的湿度传感器依赖外部电源或电池,这限制了它们在复杂电磁环境中分布式部署的可行性。在这项工作中,通过将CeO2/Ag异质结复合传感器与摩擦电纳米发电机(TENG)和自启动电源管理模块集成在一起,开发了一种自供电无线湿度监测系统,实现了环境风能收集。采用水热法和原位还原法制备了CeO2/Ag复合材料。表征结果表明,Ag纳米颗粒均匀分布在CeO2表面。该传感器工作在0-97% RH的较宽相对湿度范围内,在97% RH时达到96.98%的最大响应,响应时间为8.7 s,恢复时间为17.9 s。密度泛函理论计算表明,CeO2/Ag异质界面通过肖特基势垒调制显著增强了水分子的吸附和电荷转移,吸附能为-1.447 eV。TENG的峰值功率为732 μW,集成系统以200 rpm的转速实现每75 s的无线数据传输。这项工作为变电站和其他复杂工业环境中的自供电、分布式湿度监测提供了一个有前途的解决方案。
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引用次数: 0
Multilevel Resistive Memory Behavior in Quinoline–Pyrazole-Based Donor–Acceptor Systems 喹啉-吡唑基供体-受体系统的多电平电阻记忆行为
IF 4.7 3区 材料科学 Q1 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-09-22 Epub Date: 2026-09-01 DOI: 10.1021/acsaelm.6c01324
Jose Kessiya, Madanan Akshaya, Predhanekar Mohamed Imran, Samuthira Nagarajan

A series of pyrazole-functionalized quinolines with donor–acceptor (D–A) and donor–acceptor–donor (D–A–D) architectures was synthesized for application in multilevel organic memory devices. The donor substituents, such as tert-butyl and methoxyphenyl groups, as well as the functionalization of the pyrazole moiety on the quinoline, enable the transition from binary to ternary and quaternary memory states, thereby enhancing charge storage density. Notably, quaternary memory devices, which are rarely reported, have three ON states and one OFF state, enabling multilevel data storage and allowing two bits to be stored in a single memory cell. These devices exhibit low threshold voltages of –0.58 to –3.09 V and ON/OFF ratios of 102 to 105, thereby improving memory device performance. Photophysical and electrochemical analyses indicate enhanced charge-transfer capabilities, as evidenced by a red shift in the absorption spectra and reduced band gaps (3.02–3.15 eV). All compounds demonstrated nonvolatile write-once-read-many memory behavior, in which charge transport is primarily influenced by intramolecular charge transfer and trap-controlled space-charge-limited current mechanisms. The devices also exhibited significant stability over 100 reading cycles and 2000 s under constant stress at 0.5 V. The observed memory performance is strongly correlated with molecular structure, showing that the nature of the donor substituents and molecular architecture influence charge-transfer efficiency, trap distribution, and, ultimately, multilevel memory performance. These findings represent a significant advancement in the development of organic high-density storage memory devices.

合成了一系列具有给体-受体(D-A)和给体-受体-给体(D-A - d)结构的吡唑功能化喹啉化合物,用于多层有机存储器件。供体取代基,如叔丁基和甲氧基苯基,以及喹啉上吡唑部分的功能化,使二元记忆态过渡到三元和四元记忆态,从而提高电荷存储密度。值得注意的是,很少报道的四元存储设备具有三个ON状态和一个OFF状态,支持多级数据存储,并允许在单个存储单元中存储两个比特。这些器件具有-0.58至-3.09 V的低阈值电压和102至105的ON/OFF比,从而提高了存储器件的性能。光物理和电化学分析表明,吸收光谱的红移和带隙的减小(3.02-3.15 eV)证明了电荷转移能力的增强。所有化合物都表现出非易失性的写一次读多记忆行为,其中电荷传输主要受分子内电荷转移和陷阱控制的空间电荷限制电流机制的影响。该器件在0.5 V恒定应力下也表现出超过100个读取周期和2000 s的显著稳定性。所观察到的记忆性能与分子结构密切相关,表明供体取代基的性质和分子结构影响电荷转移效率、陷阱分布,并最终影响多层记忆性能。这些发现代表了有机高密度存储存储器件发展的重大进步。
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引用次数: 0
Heteroatom Driven Design Strategy of Zr3C2O2 MXenes for Alkali-Ion Batteries: Identifying Optimal Doping Regimes via Density Functional Theory Studies 碱离子电池Zr3C2O2 MXenes杂原子驱动设计策略:通过密度泛函理论研究确定最佳掺杂体系
IF 4.7 3区 材料科学 Q1 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-09-22 Epub Date: 2026-09-08 DOI: 10.1021/acsaelm.6c01262
Aswathi Kadangodan Putiyaveettil, Baskaran Natesan

Zr3C2O2 MXene has garnered extensive interest as an anode material for alkali-ion batteries. Nevertheless, its inferior electrochemical performance compared to the well-established Ti- and V-based MXenes calls for targeted strategies to unlock its full potential. Heteroatom doping with nonmetals offers an effective way to overcome these limitations by tuning the electronic structure and surface chemistry while keeping the MXene framework intact. Herein, first-principles density functional theory calculations are used to systematically investigate nitrogen (N) and sulfur (S) substitution at the carbon site of Zr3C2O2 MXene. The effects of doping on its structural, electronic, and electrochemical properties as an anode for lithium-ion batteries (LIBs) and sodium-ion batteries (NIBs) are examined. Three doping strategies were considered: N mono-doping, S mono-doping, and N–S co-doping. We evaluate each of these strategies for a range of dopant concentrations from single atom substitution to full site occupation within the supercell. Such a systematic study allows us to probe the isolated defect behavior at low concentrations and the dopant–dopant interaction and collective electronic modulation at higher doping levels. The calculations confirm that substitution at the carbon site is energetically favorable for both heteroatoms. N-doped systems consistently outperform S-doped and N–S co-doped counterparts in terms of structural stability, metallicity, and electrochemical response. N–S co-doping shows synergistic improvements than S doping. The 12N-substituted Zr3C2O2 exhibits the best performance with the highest density of states at the Fermi level, favorable Li/Na adsorption energetics, the lowest average open-circuit voltage, and reduced ion diffusion barriers among all the configurations. Theoretical specific capacities of 328 mA h g–1 for LIBs and 283 mA h g–1 for NIBs are achieved. These findings demonstrate that controlled heteroatom substitution is an effective design strategy for simultaneously optimizing structural integrity, electronic conductivity, energy density, and ion storage capacity in MXene-based anodes for next-generation alkali-ion batteries.

Zr3C2O2 MXene作为碱离子电池的负极材料引起了广泛的关注。然而,与基于Ti和v的MXenes相比,其电化学性能较差,需要有针对性的策略来释放其全部潜力。非金属杂原子掺杂提供了一种有效的方法来克服这些限制,通过调整电子结构和表面化学,同时保持MXene框架的完整性。本文采用第一性原理密度泛函理论计算,系统地研究了Zr3C2O2 MXene碳位上的氮(N)和硫(S)取代。研究了作为锂离子电池(LIBs)和钠离子电池(NIBs)的阳极,掺杂对其结构、电子和电化学性能的影响。考虑了三种掺杂策略:N单掺杂、S单掺杂和N - S共掺杂。我们评估了这些策略的掺杂浓度范围,从单原子取代到超级单体内的全位点占领。这样一个系统的研究使我们能够在低浓度下探测孤立缺陷行为,在高掺杂水平下探测掺杂-掺杂相互作用和集体电子调制。计算证实,碳位的取代在能量上对两个杂原子都有利。在结构稳定性、金属丰度和电化学响应方面,n掺杂体系始终优于s掺杂和N-S共掺杂体系。N-S共掺杂比S掺杂具有增效性。12n取代的Zr3C2O2具有最高的费米能级态密度、良好的Li/Na吸附能、最低的平均开路电压和较低的离子扩散势垒。LIBs的理论比容量为328 mA h - 1, NIBs的理论比容量为283 mA h - 1。这些发现表明,控制杂原子取代是一种有效的设计策略,可以同时优化下一代碱离子电池中mxene基阳极的结构完整性、电子导电性、能量密度和离子存储容量。
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引用次数: 0
A Laser-Free and Compact Broadband Magnetometer Based on van der Waals Magnet CrCl3 基于范德华磁体CrCl3的无激光紧凑型宽带磁强计
IF 4.7 3区 材料科学 Q1 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-09-22 Epub Date: 2026-09-04 DOI: 10.1021/acsaelm.6c01382
Prem B. Karki, Ayodimeji Aregbesola, Karishma Prasad, Arjun Thapa, Jonathan Skeels, Avani Inamdar, Jian Wang, Kapildeb Ambal

Measuring absolute magnetic fields with high precision is valuable for numerous scientific and technological applications, including physics research, biomedical imaging, navigation systems, and materials characterization. Two-dimensional (2D) vdW materials, with their characteristic weak interlayer (van der Waals) bonding, are well suited for transfer onto a diverse range of substrates, making them amenable to a variety of sensing platforms. In this article, we explored the potential of CrCl3, a 2D vdW magnetic material, for application in a compact, laser-free absolute magnetometer. We found that the proposed CrCl3-based magnetometer provides electrical detection of the absolute magnetic field with nanotesla sensitivity, features a simple, compact design, and a small form factor, demonstrating a clear, attractive technology pathway. The sensor material is fabricated using Scotch tape-based room-temperature mechanical exfoliation processes, operates over a wide magnetic field and temperature range, and is robust at ambient conditions. The demonstrated magnetometer's sensitivity is ∼30 nT/√Hz at a 1 T applied magnetic field, and it can track magnetic field changes in real time at a rate exceeding 0.8 mT/s.

高精度测量绝对磁场对于许多科学和技术应用具有重要价值,包括物理研究,生物医学成像,导航系统和材料表征。二维(2D) vdW材料具有弱层间(范德华)键合的特性,非常适合转移到各种衬底上,使其适用于各种传感平台。在这篇文章中,我们探索了CrCl3,一种二维vdW磁性材料,在紧凑型,无激光绝对磁强计中的应用潜力。我们发现提出的基于crcl3的磁强计提供了纳米特斯拉灵敏度的绝对磁场电检测,具有简单,紧凑的设计和小尺寸,展示了一个清晰,有吸引力的技术途径。该传感器材料采用基于Scotch胶带的室温机械剥离工艺制造,可在宽磁场和温度范围内工作,并且在环境条件下坚固耐用。所演示的磁力计在1 T外加磁场下的灵敏度为~ 30 nT/√Hz,并且可以以超过0.8 mT/s的速率实时跟踪磁场变化。
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