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Transparent neutral-colored CsPbBr3perovskite solar cell with biological soybean lecithin food additives. 透明中性色cspbbr3钙钛矿太阳能电池,生物大豆卵磷脂食品添加剂。
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-02-03 DOI: 10.1088/1361-6528/ae3765
Diksha Thakur, Davide Santucci, Suresh K Podapangi, Francesca Pallini, Jie Xu, Antonio Cricenti, David Becerril Rodriguez, Marco Luce, Sathy Harshavardan Reddy, Mauro Sassi, Fabio Matteocci, Aldo Di Carlo, Thomas M Brown

We report the first perovskite solar cell incorporating soybean lecithin, a biological plant-based food additive. When added in small concentration to perovskite precursor inks, it helps to obtain compact and uniform CsPbBr3thin films. Our devices exhibit very high average visible transmittances (AVTs) (>70%), color rendering index (CRI) up to 84% and neutrality (CIE coordinates of 0.38, 0.39). The addition of lecithin almost doubled power conversion efficiency from 0.84% to 1.52%. Such high transparency, although limiting their overall efficiency, can be used in environments where transparency and color neutrality are important features, such as windows, facades, lens in smart glasses, and greenhouses. The transparency-efficiency profile fits the trend in performance of emerging photovoltaic devices, with amongst the highest voltages reported at these transmittances. Furthermore, the stability in ambient air also improved with addition of lecithin, losing only 25% of efficiency after 1 year versus 50% for devices with no lecithin.

我们报道了第一个钙钛矿太阳能电池,其中含有大豆卵磷脂,一种生物植物性食品添加剂。当小浓度加入到钙钛矿前驱体油墨中时,它有助于获得致密均匀的CsPbBr3薄膜。我们的器件具有非常高的平均可见光透过率(> 70%),显色指数高达84%和中性(CIE坐标0.38,0.39)。卵磷脂的加入使能量转换效率从0.84%提高到1.52%,几乎翻了一番。如此高的透明度,虽然限制了它们的整体效率,但可以在透明度和色彩中性是重要特征的环境中使用,例如窗户、立面、智能眼镜的镜片和温室。透明效率剖面符合新兴光伏器件的性能趋势,在这些透光率中报告了最高的电压。此外,添加卵磷脂也改善了环境空气中的稳定性,1年后效率仅下降25%,而不添加卵磷脂的设备效率下降50%。
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引用次数: 0
Synergistic regulation of polarization intensity and coercive electric field in FeFETs: overcoming the trade-off between enhanced memory window and subthreshold swing degradation. 效应场效应管中极化强度和矫顽力电场的协同调节:克服记忆窗口增强和阈下摆动退化之间的权衡。
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-30 DOI: 10.1088/1361-6528/ae2b79
Shuo Zhang, Yue Peng, Wenxuan Ma, Qiuxia Wu, Litao Sun, Shouchen Yang, Wenwu Xiao, Chunfu Zhang, Xiaohua Ma, Yue Hao

Ferroelectric field-effect transistors (FeFETs), a type of ferroelectric memory with a transistor-based structure, have attracted significant attention from integrated circuit researchers due to their compact device architecture, non-destructive readout capability, and elimination of additional selector devices. These advantages make FeFETs highly promising for achieving higher storage density and enabling computing-in-memory applications. For their practical industrial deployment, extensive studies have been conducted on device fabrication, circuit design, and reliability. Among the key challenges, enlarging the memory window (MW) while maintaining stability is critical, as it directly affects data accuracy and retention. In this work, we experimentally investigate the modulation of the MW and interface defect density (ΔNit) in Zr-doped HfO2(HfZrOx)-based FeFETs under different polarization states of the ferroelectric gate dielectric. The results demonstrate that with progressively enhanced ferroelectric polarization, the MW expands, while the interface trap density is simultaneously suppressed, suggesting that robust polarization effectively inhibits the formation of interface defects and improves subthreshold swing characteristics of the device. Furthermore, TCAD simulations were conducted to systematically investigate the impact of various ferroelectric properties, including remanent polarization (Pr), saturation polarization (Ps) and variations in coercive field (Ec), on the memory characteristics of HfZrOxFeFETs. It was confirmed that higher polarization can alleviate the degradation caused by defects. In addition, an increase inPrandPs, together with a lowerEc, enhances the surface potential difference, charge separation, and switching efficiency, thereby improving both the MW and the stability of the device. This study provides valuable insights for the development of reliable FeFET-based memory technologies.

铁电场效应晶体管(fefet)是一种基于晶体管结构的铁电存储器,由于其紧凑的器件结构,非破坏性读出能力和消除额外选择器件而引起了集成电路研究人员的极大关注。这些优点使得fet在实现更高的存储密度和实现内存中计算应用方面非常有希望。为了实际的工业部署,在器件制造、电路设计和可靠性方面进行了广泛的研究。在主要挑战中,在保持稳定性的同时扩大内存窗口(MW)是至关重要的,因为它直接影响数据的准确性和保留。在本工作中,我们实验研究了在不同的铁电栅介质极化状态下,掺zr的HfO (HfZrO x)基fefet的记忆窗口(MW)和界面缺陷密度(N it)的调制。结果表明,随着铁电极化的逐渐增强,界面阱密度被抑制,而毫瓦增大,表明鲁棒极化有效抑制了界面缺陷的形成,改善了器件的亚阈值摆动特性。此外,通过TCAD模拟系统地研究了各种铁电特性,包括剩余极化(P r)、饱和极化(P s)和矫顽力场变化(E c)对HfZrO × fet记忆特性的影响。实验结果表明,较高的极化率可以缓解缺陷引起的性能下降。此外,P r和P s的增加以及较低的E c可以增强表面电位差、电荷分离和开关效率,从而提高器件的MW和稳定性。该研究为基于fet的可靠存储技术的发展提供了有价值的见解。
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引用次数: 0
Two-dimensional superconductivity: a review of computational approaches and emerging phenomena. 二维超导:计算方法和新现象的回顾。
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-28 DOI: 10.1088/1361-6528/ae3769
Prarena Jamwal, Rajeev Ahuja, Rakesh Kumar

Two-dimensional (2D) materials offer an exceptional platform for exploring quantum phenomena, as their reduced dimensionality significantly enhances tunability via external parameters. Among these, superconductivity in 2D systems is of particular interest due to its fundamental significance and potential applications in quantum technologies. Despite ongoing experimental challenges in realizing novel 2D superconductors, first-principles calculations have emerged as powerful tools for guiding their prediction and design. While many prior reviews focus broadly on low-dimensional superconductivity, this article specifically surveys computationally predicted 2D superconductors, with an emphasis on the underlying theoretical frameworks and their limitations. We highlight how external perturbations such as strain, doping, chemical functionalization, and intercalation, modify electron-phonon coupling and superconducting critical temperatures, and we examine cases where superconductivity competes or coexists with other quantum orders, including charge density waves and nontrivial band topology. We further discuss the growing role of machine-learning and high-throughput approaches in accelerating materials discovery, along with the challenges associated with data quality and model reliability. Overall, this review underscores the potential and current limitations of first-principles and data-driven approaches in advancing the understanding and discovery of 2D superconductors.

二维(2D)材料为探索量子现象提供了一个特殊的平台,因为它们的降维显著增强了通过外部参数的可调性。其中,二维系统中的超导性由于其在量子技术中的基本意义和潜在应用而引起了特别的兴趣。尽管在实现新型二维超导体方面存在持续的实验挑战,第一性原理计算已经成为指导其预测和设计的强大工具。虽然许多先前的评论广泛地关注于低维超导性,但本文专门调查了计算预测的二维超导体,重点是潜在的理论框架及其局限性。我们强调了外部扰动,如应变、掺杂、化学功能化和插层,如何改变电子-声子耦合和超导临界温度,并研究了超导性与其他量子秩序竞争或共存的情况,包括电荷密度波和非平凡带拓扑。我们进一步讨论了机器学习和高通量方法在加速材料发现方面日益增长的作用,以及与数据质量和模型可靠性相关的挑战。总的来说,这篇综述强调了第一原理和数据驱动方法在推进二维超导体的理解和发现方面的潜力和当前的局限性。
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引用次数: 0
Bi-directional configuration evolution of homo/heterogeneous graphyne nanoribbons encircling a rotating CNT. 围绕旋转碳纳米管的同质/异质石墨烯纳米带的双向构型演化。
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-28 DOI: 10.1088/1361-6528/ae376a
Pengjie Hu, Bo Song, Kun Cai, Qing-Hua Qin

Graphyne (GY) nanomaterials, with their highly tunable properties, show great potential as building blocks for composite nanodevices. Using molecular dynamics simulations, this study investigates the bi-directional folding and unfolding evolution of homogeneous and heterogeneous GY nanoribbons (GYNRs) around a rotating carbon nanotube (CNT). The results reveal distinct configuration rules: homogeneous GYNRs consistently undergo synchronous folding to form interlaced GY nanoscrolls (GYNSs), whereas heterogeneous GYNRs may fold synchronously or in a layered manner, producing either interlaced or covered GYNSs depending on atomic density differences (ADDs) and temperature. Moreover, GYNSs can be reversibly unfolded into GYNRs under CNT rotation. Unified unfolding, initiated from the innermost layer, typically occurs in interlaced GYNSs, while segmented unfolding-unique to covered GYNSs with large ADDs-proceeds sequentially from the outermost edge of the outer GYNS to the innermost layer of the inner GYNS. These findings establish key principles for the flexible design and engineering of novel homo- and heterogeneous GY-based nanostructures.

石墨炔(GY)纳米材料具有高度可调的特性,作为复合纳米器件的基础材料具有巨大的潜力。利用分子动力学模拟,研究了围绕旋转碳纳米管(CNT)的均匀和非均匀GY纳米带(GYNRs)的双向折叠和展开演化。结果揭示了不同的构型规则:均匀的GYNRs持续进行同步折叠以形成交错的GYNRs,而非均匀的GYNRs可以同步折叠或分层折叠,根据原子密度和温度的差异产生交错或覆盖的GYNRs。此外,在碳纳米管旋转下,gyns可以可逆地展开成gynr。从最内层开始的统一展开通常发生在交错的GYNS中,而具有大原子密度差异的覆盖GYNS所特有的分割展开则依次从外GYNS的最外层到内GYNS的最内层进行。这些发现为新型同源和异质基纳米结构的柔性设计和工程建立了关键原则。
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引用次数: 0
Au-decorated carbon nanopillar array for facile SERS substrate for the detection of R6G dye. 用于检测R6G染料的金修饰碳纳米柱阵列简易SERS衬底。
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-28 DOI: 10.1088/1361-6528/ae3969
Sahil Kumar Yadav, Sivanandam Aravindan, P V Rao

Large area, vertically aligned one-dimensional, hexagonally patterned materials have been found to be efficient substrates for surface enhanced Raman spectroscopy (SERS). Here in this work, we have developed a facile substrate for SERS performance as vertically grown carbon nanopillars (CNPs) inside the porous hexagonally patterned anodic aluminum oxide (AAO). Nanoporous AAO was grown for the best pore ordering for optimum parameters. CNPs were synthesized in the AAO template inside a thermal chemical vapor deposition reactor. CNPs were exposed to mechanical polishing to remove excess overgrown amorphous carbon, followed by chemical etching. This facile SERS substrate was prepared by depositing Au to form SERS-active hot spots. This CNP-Au hybrid substrate for 30 nm Au deposition shows the uniform sub-10 nm gap between subsequent nanopillars. Based on UV-Vis spectroscopy, the plasmonic resonance of the CNP-Au substrate was observed at a wavelength of approximately 540 nm. Rhodamine (R6G) dye was investigated for its very low concentration up to 10-9M due to its genotoxic and carcinogenic effects on human life. Thus, a low concentration of R6G analyte is strongly desired for sensitive detection. The electric field enhancement was validated with a 3D FDTD Lumerical simulation for CNP@Au-30 nm substrate for a 10 nm gap. This CNP@Au facile SERS substrate shows potential use for novel large-area electrode systems in next-generation optoelectronics, including photovoltaics, light-emitting diodes, ultralow molecule detection, and solar water splitting.

大面积、垂直排列的一维六角形材料可以有效地探测表面增强拉曼光谱(SERS)。在这项工作中,我们开发了一种易于实现SERS性能的衬底,即在多孔六边形阳极氧化铝(AAO)中垂直生长的碳纳米柱(CNPs)。以最佳的孔序为参数,制备纳米多孔AAO。在热化学气相沉积反应器中,在AAO模板中合成了碳纳米柱。CNPs暴露于机械抛光以去除过量生长的非晶碳,然后进行化学蚀刻。这种简单的SERS衬底是通过沉积Au来形成SERS活性热点而制备的。这种用于30 nm金沉积的CNP-Au杂化衬底在随后的纳米柱之间显示出均匀的低于10 nm的间隙。基于紫外可见光谱,在波长约540nm处观察到CNP-Au衬底的等离子体共振。罗丹明(R6G)染料由于其对人类生命的遗传毒性和致癌性作用而被研究为极低浓度(10-9 M)。因此,低浓度的R6G分析物是敏感检测的强烈要求。利用三维时域有限差分法(FDTD)数值模拟了CNP@Au-30 nm基片在10 nm间隙下的电场增强效果。这种CNP-Au易溶SERS衬底显示出在下一代光电子学中新型大面积电极系统的潜在用途,包括光伏、发光二极管、超低分子检测和太阳能水分解。
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引用次数: 0
Efficient total ionizing dose-aware standard cell characterization methodology for path-level timing performance in nanoscale digital circuit applications. rfid感知高效标准单元表征及其在纳米级数字电路路径级时序性能中的应用。
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-28 DOI: 10.1088/1361-6528/ae2a3c
Lomash Chandra Acharya, Khoirom Johnson Singh, Neha Gupta, Mahipal Dargupally, Neeraj Mishra, Arvind Kumar Sharma, Abhishek Acharya, Venkatraman Ramakrishnan, Ajoy Mandal, Sudeb Dasgupta, Anand Bulusu

As CMOS technology scales into the nanoscale regime, ensuring the reliability of digital circuits in radiation-rich environments has become a critical challenge. Standard cell libraries, which are foundational to digital design, are typically characterized using extensive SPICE simulations to capture gate delays as functions of input transition time and load capacitance. However, these libraries do not account for total ionizing dose (TID) effects, which are caused by prolonged exposure to ionizing radiation and introduce oxide-trapped charges and interface states that degrade key transistor parameters, such as threshold voltage and leakage current. This results in significant timing inaccuracies, compromising digital timing closure in mission-critical applications such as aerospace and nuclear electronics. In this work, we propose an efficient, TID-aware standard cell characterization methodology for nanoscale CMOS technologies that generates cell characterization data in standard Liberty format, enabling accurate prediction of timing closure under TID influence without incurring any SPICE simulation overhead. Our approach leverages well-calibrated 32 nm Synopsys©Sentaurus TCAD simulations and variation-aware analytical timing models to capture TID-induced degradation. These effects are incorporated into cell netlists through adjustments to the BSIM parameters to generate both pre- and post-radiation standard cell libraries. Validated using a set of reference designs, including ISCAS benchmark circuits, the proposed methodology achieves accurate path-level timing predictions under radiation while reducing SPICE simulation effort by approximately 81.25%. By bridging device-level radiation effects with cell-level timing abstraction, this scalable framework offers a practical solution for robust and radiation-resilient digital integrated circuit design in harsh environments.

随着CMOS技术扩展到纳米级,确保数字电路在高辐射环境中的可靠性已成为一个关键挑战。标准单元库是数字设计的基础,通常使用广泛的SPICE模拟来捕获门延迟作为输入过渡时间和负载电容的函数。然而,这些库没有考虑总电离剂量(TID)效应,这是由长时间暴露于电离辐射引起的,并引入了氧化捕获电荷和界面状态,从而降低了晶体管的关键参数,如阈值电压和泄漏电流。这导致显着的定时不准确性,危及关键任务应用中的数字定时关闭,如航空航天和核电子。在这项工作中,我们为纳米级CMOS技术提出了一种高效的、可感知TID的标准细胞表征方法,该方法以标准Liberty格式生成细胞表征数据,能够准确预测TID影响下的时序关闭,而不会产生任何SPICE模拟开销。我们的方法利用校准良好的32 nm Synopsys©Sentaurus TCAD模拟和变化感知分析时序模型来捕获tid引起的退化。通过调整BSIM参数,将这些影响纳入蜂窝网络列表,以生成辐射前和辐射后的标准蜂窝库。使用包括ISCAS基准电路在内的一组参考设计进行验证,该方法在辐射下实现了精确的路径级时序预测,同时将SPICE模拟工作量减少了约81.25%。通过桥接设备级辐射效应与单元级时序抽象,这种可扩展的框架为恶劣环境中鲁棒和抗辐射的数字集成电路设计提供了实用的解决方案。
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引用次数: 0
III-nitride semiconductor nanowires: recent advances in molecular beam epitaxy and optoelectronic devices. 氮化半导体纳米线:分子束外延和光电子器件的最新进展。
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-28 DOI: 10.1088/1361-6528/ae3832
Songrui Zhao

Semiconductor nanowires have continued to be an important material format for both fundamental science and device research. Recent years have witnessed a fantastic progress on semiconductor nanowires across different material systems, such as II-VI, III-V, III-nitrides, and so on. In this review paper, I would like to focus on some of the recent developments in III-nitride nanowires and their device applications. A specific III-nitride nanowire synthesis technique, molecular beam epitaxy (MBE), which is a highly controllable, scalable, and industrial production compatible material synthesis technique, is focused. Recent understanding about the MBE growth of III-nitride nanowires, including low temperature selective area epitaxy and chamber configuration dependent properties, is discussed. Moreover, recent advances on III-nitride nanowire light-emitting and photodetection devices are discussed. In addition, emerging studies on scandium (Sc) incorporated III-nitride nanowires and devices are discussed. The intention of this review paper is to complement recent reviews in the field of III-nitride nanowire research and provide readers some future perspectives on this intriguing semiconductor material system.

半导体纳米线一直是基础科学和器件研究的重要材料形式。近年来,半导体纳米线在不同材料体系(如II-VI、III-V、iii -氮化物等)上取得了惊人的进展。本文就氮化ⅲ纳米线及其器件应用的最新进展作一综述。重点介绍了一种具有高度可控性、可扩展性和工业化生产相容性的iii -氮化物纳米线合成技术——分子束外延(MBE)。讨论了近年来对iiinride纳米线MBE生长的理解,包括低温选择性区域外延(SAE)和腔室结构相关的特性。此外,还讨论了氮化ⅲ纳米线发光和光探测器件的最新进展。此外,还讨论了钪(Sc)掺杂iii -氮化纳米线和器件的新研究。这篇综述的目的是补充最近在iii -氮化纳米线研究领域的综述,并为读者提供一些对这一有趣的半导体材料系统的未来展望。
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引用次数: 0
Electrical conductivity of randomly placed linear wires: a mean field approach. 随机放置的线性导线的电导率:平均场法。
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-23 DOI: 10.1088/1361-6528/ae38e8
Yuri Yu Tarasevich, Andrei V Eserkepov, Irina V Vodolazskaya

Using the mean-field approximation, a formula for the effective electrical conductivity of a two-dimensional system of randomly arranged conducting sticks with a given orientation distribution was obtained. Both the resistance of the sticks themselves and the resistance of the contacts between them were taken into account. The accuracy in the resulting formula was analyzed. A comparison of the theoretical predictions of mean-field approach with the results of direct electrical conductivity calculations for several model orientation distributions describing systems with crossed sticks demonstrated good agreement. Our study showed that cross-alignment of nanowires should lead to a decrease in the electrical conductivity compared to electrodes with isotropically arranged nanowires. We suppose that the widely used model with zero-width sticks is quite acceptable for systems of cross-aligned nanowires, but overestimates their connectivity in isotropic systems. Thus, the enhancement of the electrical conductivity of conducting films with cross-aligned nanowires may be due to a significant difference in the network topology.

利用平均场近似,得到了具有给定取向分布的随机排列的二维导电棒系统的有效电导率公式。同时考虑了棒材本身的阻力和棒材之间接触的阻力。对所得公式的精度进行了分析。将平均场方法的理论预测结果与直接电导率计算结果进行比较,证明了几种描述具有交叉棒的系统的模型取向分布的良好一致性。我们的研究表明,与各向同性排列的纳米线相比,纳米线的交叉排列会导致电导率的降低。我们认为广泛使用的零宽度棒模型对于交叉排列的纳米线系统是完全可以接受的,但在各向同性系统中高估了它们的连通性。因此,具有交叉排列纳米线的导电膜的导电性的增强可能是由于网络拓扑结构的显着差异。
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引用次数: 0
A 3D energy deposition model guided by resist activation energy for helium ion beam lithography at its resolution limits. 基于抗蚀活化能的氦离子束光刻三维能量沉积模型
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-23 DOI: 10.1088/1361-6528/ae376c
Yunsheng Deng, Shiyang Gao, Jingfu Xu, Xin Zhuang, Xing Cheng

We have conducted a detailed investigation of helium ion beam lithography (HIBL) at its resolution limits by calculating three-dimensional energy deposition within a resist. The resist activation energy, a critical physical parameter, was estimated and used as a substitute for the traditionalz-factor, allowing for a systematic evaluation of interdependent lithography performances. Our calculations demonstrate HIBL's exceptional capabilities, including 2.5 nm resolution (30 kV, PMMA, line-scan), large aspect ratios exceeding 9, a proximity effect range of approximately 10 nm at 100 nm depth, and edge roughness below 1 nm. These findings highlight HIBL's potential for advanced nanofabrication applications. Furthermore, our calculation led to a reliable model for accurate pattern prediction and proximity effect corrections, which was verified by experiment.

我们通过计算抗蚀剂内的三维能量沉积,对氦离子束光刻(HIBL)的分辨率极限进行了详细的研究。抗蚀活化能(一个关键的物理参数)被估计并用作传统z因子的替代品,从而可以系统地评估相互依赖的光刻性能。我们的计算证明了HIBL的卓越能力,包括2.5 nm分辨率(30kV, PMMA,线扫描),超过9的大宽高比,100 nm深度的接近效应范围约为10 nm,边缘粗糙度低于1 nm。这些发现突出了HIBL在先进纳米制造应用方面的潜力。此外,我们的计算为准确的模式预测和接近效应校正提供了可靠的模型,并通过实验验证了这一点。
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引用次数: 0
First-principles study of 2D V-V binary materialα-AsN for VOCs-sensing applications. 二维V-V二元材料α-AsN在vocs传感中的第一性原理研究。
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-23 DOI: 10.1088/1361-6528/ae3318
Zixian Li, Shuangying Lei, Chia-Hsiang Hung, Zaifa Zhou

Increased emissions of volatile organic compounds (VOCs) are prone to cause health issues like cancer and central nervous system disorders, making the development of efficient VOCs-sensing materials crucial. Monolayerα-AsN, a two-dimensional (2D) V-V binary material with a wrinkled honeycomb structure, features better environmental stability (higher cohesive energy than black phosphorus, BP) and tunable electrical properties (unlike single-target VOC-sensing TMDs). It overcomes flaws of existing 2D sensors (BP's poor stability, TMDs' narrow selectivity) while retaining high surface-to-volume ratio, and shows superior adsorption efficiency and selectivity for alcohol VOCs versus BP and acetone-specialized Janus TMDs. However, its VOCs-sensing performance remains uninvestigated. This study employed density functional theory and nonequilibrium Green's function to systematically investigate the adsorption and sensing behaviors of monolayerα-AsN toward the five VOCs. Electronic localization function analysis confirmed physical adsorption (no chemical bonding) betweenα-AsN and all VOCs. Among the tested VOCs, methanol and ethanol exhibited the highest adsorption energy and density (ethanol slightly higher), with ultra-low detection limits (7.69 × 10-⁴ p.p.b. for methanol and 4.88 × 10-⁵ p.p.b. for ethanol). Critically, methanol adsorption reducedα-AsN's current by 30%, while ethanol increased it by 100%. These findings demonstrate that monolayerα-AsN holds great application potential for the selective detection of methanol and ethanol.

挥发性有机化合物(VOCs)排放的增加容易导致癌症和中枢神经系统疾病等健康问题,因此开发高效的VOCs传感材料至关重要。单层& α;-AsN是一种二维V-V二元材料,具有皱巴巴的蜂窝结构,具有更好的环境稳定性(比黑磷BP具有更高的内聚能)和可调谐的电性能(与单目标voc传感TMDs不同)。在保持高表面体积比的同时,克服了现有二维传感器(BP稳定性差、TMDs选择性窄)的缺陷,对醇类VOCs的吸附效率和选择性优于BP和丙酮专用Janus TMDs。然而,其vocs传感性能仍未得到研究。本研究采用密度泛函理论(DFT)和非平衡格林函数,系统研究了单层α-AsN对5种VOCs的吸附和传感行为。电子定位函数(ELF)分析证实α-AsN与所有VOCs均有物理吸附(无化学键合)。在所检测的VOCs中,甲醇和乙醇的吸附能和吸附密度最高(乙醇略高),检出限极低(7.69×10-4p.p.b)。甲醇和4.88×10-5p.p.b。乙醇)。重要的是,甲醇吸附使α-AsN电流降低了30%,而乙醇使α-AsN电流增加了100%。这些发现表明单层α-AsN在选择性检测甲醇和乙醇方面具有很大的应用潜力。
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引用次数: 0
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