首页 > 最新文献

Nanomaterials最新文献

英文 中文
Partial Oxidation-Engineered Dendritic α-Fe2O3@Fe Photoanode: Enhanced Photoelectrochemical Water-Splitting Performance and Pt-Modified Stability. 部分氧化工程枝晶α-Fe2O3@Fe光阳极:增强的光电化学水分解性能和pt修饰的稳定性。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-14 DOI: 10.3390/nano16040250
Yingxing Yang, Yihan Zheng, Mengyao Zhao, Xiaomei Yu, Songjie Li, Jinyou Zheng

As a renewable energy source, solar energy holds significant potential for addressing future energy and environmental challenges. Concurrently, hydrogen (H2), as a clean and renewable energy carrier, has garnered substantial attention. Photoelectrocatalytic water splitting to produce H2 represents an emerging green technology for converting solar energy into hydrogen energy, which has been highly valued by researchers. The key to advancing this technology lies in identifying photoelectrode materials with high catalytic activity and stability. In this study, dendritic α-Fe was synthesized via electrodeposition at the optimal potential of -1.4 V vs. Ag/AgCl for 300 s, and the photoelectrocatalytic performance of α-Fe2O3@Fe was enhanced through partial oxidation annealing at 300 °C for 6 h. This approach effectively addressed the issue of the short carrier transport distance in α-Fe2O3. The resulting partially oxidized α-Fe2O3@Fe(300 °C, 6 h) exhibited a photocurrent density of 281.1 μA/cm2 at +0.55 V vs. Ag/AgCl, which was 2.23 times higher than that of the fully oxidized dendritic α-Fe2O3(500 °C, 2 h) (125.8 μA/cm2). The influence of deposition potential on photoelectrocatalytic performance was systematically explored, and the optimal deposition potential was identified. Additionally, surface modification with 0.15 wt% Pt (ultra-low loading) was employed to further improve the photocatalytic stability of α-Fe2O3(500 °C, 2 h). After continuous operation for 2 h, the photocurrent of the surface-modified sample decreased by only 6.5%, indicating a substantial enhancement in stability.

作为一种可再生能源,太阳能在解决未来能源和环境挑战方面具有巨大的潜力。同时,氢(H2)作为一种清洁的可再生能源载体已经引起了人们的广泛关注。光电催化水裂解制氢是一种新兴的太阳能转化为氢能的绿色技术,受到了研究人员的高度重视。推进该技术的关键在于寻找具有高催化活性和稳定性的光电极材料。在-1.4 V vs. Ag/AgCl的最佳电势下电沉积300 s,合成了树枝状α- fe,并通过300℃部分氧化退火6 h,提高了α-Fe2O3@Fe的光电催化性能,有效解决了α- fe2o3载流子输输距离短的问题。部分氧化α-Fe2O3@Fe(300℃,6 h)在+0.55 V vs. Ag/AgCl下的光电流密度为281.1 μA/cm2,是完全氧化α- fe2o3(500℃,2 h) (125.8 μA/cm2)的2.23倍。系统探讨了沉积电位对光电催化性能的影响,确定了最佳沉积电位。此外,采用0.15 wt% Pt(超低负载)对α-Fe2O3进行表面改性,进一步提高α-Fe2O3的光催化稳定性(500℃,2 h)。连续工作2h后,表面改性样品的光电流仅下降6.5%,表明稳定性大幅提高。
{"title":"Partial Oxidation-Engineered Dendritic α-Fe<sub>2</sub>O<sub>3</sub>@Fe Photoanode: Enhanced Photoelectrochemical Water-Splitting Performance and Pt-Modified Stability.","authors":"Yingxing Yang, Yihan Zheng, Mengyao Zhao, Xiaomei Yu, Songjie Li, Jinyou Zheng","doi":"10.3390/nano16040250","DOIUrl":"10.3390/nano16040250","url":null,"abstract":"<p><p>As a renewable energy source, solar energy holds significant potential for addressing future energy and environmental challenges. Concurrently, hydrogen (H<sub>2</sub>), as a clean and renewable energy carrier, has garnered substantial attention. Photoelectrocatalytic water splitting to produce H<sub>2</sub> represents an emerging green technology for converting solar energy into hydrogen energy, which has been highly valued by researchers. The key to advancing this technology lies in identifying photoelectrode materials with high catalytic activity and stability. In this study, dendritic α-Fe was synthesized via electrodeposition at the optimal potential of -1.4 V vs. Ag/AgCl for 300 s, and the photoelectrocatalytic performance of α-Fe<sub>2</sub>O<sub>3</sub>@Fe was enhanced through partial oxidation annealing at 300 °C for 6 h. This approach effectively addressed the issue of the short carrier transport distance in α-Fe<sub>2</sub>O<sub>3</sub>. The resulting partially oxidized α-Fe<sub>2</sub>O<sub>3</sub>@Fe(300 °C, 6 h) exhibited a photocurrent density of 281.1 μA/cm<sup>2</sup> at +0.55 V vs. Ag/AgCl, which was 2.23 times higher than that of the fully oxidized dendritic α-Fe<sub>2</sub>O<sub>3</sub>(500 °C, 2 h) (125.8 μA/cm<sup>2</sup>). The influence of deposition potential on photoelectrocatalytic performance was systematically explored, and the optimal deposition potential was identified. Additionally, surface modification with 0.15 wt% Pt (ultra-low loading) was employed to further improve the photocatalytic stability of α-Fe<sub>2</sub>O<sub>3</sub>(500 °C, 2 h). After continuous operation for 2 h, the photocurrent of the surface-modified sample decreased by only 6.5%, indicating a substantial enhancement in stability.</p>","PeriodicalId":18966,"journal":{"name":"Nanomaterials","volume":"16 4","pages":""},"PeriodicalIF":4.3,"publicationDate":"2026-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12943204/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147290471","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fundamental and Applied Aspects of Physics in Low-Dimensional Systems. 低维系统物理学的基础和应用方面。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-13 DOI: 10.3390/nano16040242
Orion Ciftja

It is my pleasure as Guest Editor to introduce this Special Issue reprint, which brings together eleven high-quality contributions exploring both fundamental physics and practical applications in low-dimensional systems [...].

作为客座编辑,我很高兴向大家介绍这期再版特刊,它汇集了11篇高质量的论文,探索了低维系统中的基础物理和实际应用[…]。
{"title":"Fundamental and Applied Aspects of Physics in Low-Dimensional Systems.","authors":"Orion Ciftja","doi":"10.3390/nano16040242","DOIUrl":"10.3390/nano16040242","url":null,"abstract":"<p><p>It is my pleasure as Guest Editor to introduce this Special Issue reprint, which brings together eleven high-quality contributions exploring both fundamental physics and practical applications in low-dimensional systems [...].</p>","PeriodicalId":18966,"journal":{"name":"Nanomaterials","volume":"16 4","pages":""},"PeriodicalIF":4.3,"publicationDate":"2026-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12943123/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147290384","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Flow Stability of Nanofluid Thin Films on Non-Uniformly Heated Porous Slopes. 纳米流体薄膜在非均匀加热多孔斜坡上的流动稳定性。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-13 DOI: 10.3390/nano16040247
Jiawei Li, Xia Li, Liqing Yue, Xinshan Li, Zhaodong Ding

Thin liquid film flows of nanofluids over porous surfaces are central to applications ranging from microfluidic thermal management to precision coating technologies. This study investigates the hydrodynamic and thermal stability of a nanofluid flowing down a non-uniformly heated inclined porous plane subject to the Beavers-Joseph slip boundary condition. Using the long-wave approximation, a nonlinear evolution equation governing the film thickness is derived. The stability characteristics are systematically analyzed via linear stability theory, weakly nonlinear analysis, and fast Fourier transform (FFT) numerical simulations. Quantitative results indicate that the porous medium permeability, density difference, and Marangoni number act as destabilizing factors; specifically, increasing the porous parameter β (from 0 to 0.3), the density ratio ζ0 (from 0 to 5), and the Marangoni number Mn (from 0 to 0.3) significantly reduces the critical Reynolds number and accelerates the onset of interfacial instabilities. In contrast, increasing the nanoparticle volume fraction ϕ from 0 to 0.3 exerts a dominant stabilizing effect by elevating the critical Reynolds number and shrinking the unstable wavenumber domain. Furthermore, nonlinear simulations confirm that higher nanoparticle concentrations effectively suppress the saturation amplitude of disturbances, promoting the eventual stabilization of the liquid film.

纳米流体在多孔表面上的薄液膜流动是从微流体热管理到精密涂层技术等应用的核心。本文研究了纳米流体在不均匀加热的倾斜多孔平面上沿比弗斯-约瑟夫滑动边界条件下的水动力和热稳定性。利用长波近似,导出了控制薄膜厚度的非线性演化方程。通过线性稳定性理论、弱非线性分析和快速傅立叶变换(FFT)数值模拟,系统地分析了系统的稳定性特性。定量结果表明,孔隙介质渗透率、密度差和马兰戈尼数是不稳定因素;孔隙参数β(从0到0.3)、密度比ζ(从0到5)和Marangoni数Mn(从0到0.3)的增加显著降低了临界雷诺数,加速了界面不稳定性的发生。相比之下,增加纳米颗粒体积分数φ从0到0.3通过提高临界雷诺数和缩小不稳定波数域发挥了主要的稳定作用。此外,非线性模拟证实,较高的纳米颗粒浓度有效地抑制了扰动的饱和幅度,促进了液膜的最终稳定。
{"title":"Flow Stability of Nanofluid Thin Films on Non-Uniformly Heated Porous Slopes.","authors":"Jiawei Li, Xia Li, Liqing Yue, Xinshan Li, Zhaodong Ding","doi":"10.3390/nano16040247","DOIUrl":"10.3390/nano16040247","url":null,"abstract":"<p><p>Thin liquid film flows of nanofluids over porous surfaces are central to applications ranging from microfluidic thermal management to precision coating technologies. This study investigates the hydrodynamic and thermal stability of a nanofluid flowing down a non-uniformly heated inclined porous plane subject to the Beavers-Joseph slip boundary condition. Using the long-wave approximation, a nonlinear evolution equation governing the film thickness is derived. The stability characteristics are systematically analyzed via linear stability theory, weakly nonlinear analysis, and fast Fourier transform (FFT) numerical simulations. Quantitative results indicate that the porous medium permeability, density difference, and Marangoni number act as destabilizing factors; specifically, increasing the porous parameter β (from 0 to 0.3), the density ratio ζ0 (from 0 to 5), and the Marangoni number Mn (from 0 to 0.3) significantly reduces the critical Reynolds number and accelerates the onset of interfacial instabilities. In contrast, increasing the nanoparticle volume fraction ϕ from 0 to 0.3 exerts a dominant stabilizing effect by elevating the critical Reynolds number and shrinking the unstable wavenumber domain. Furthermore, nonlinear simulations confirm that higher nanoparticle concentrations effectively suppress the saturation amplitude of disturbances, promoting the eventual stabilization of the liquid film.</p>","PeriodicalId":18966,"journal":{"name":"Nanomaterials","volume":"16 4","pages":""},"PeriodicalIF":4.3,"publicationDate":"2026-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12943276/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147290435","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synergistic Enhancement of Ion Transport and Cycling Stability in Composite Solid Electrolytes via Inert/Active Dual-Ceramic Fillers. 惰性/活性双陶瓷填料协同增强复合固体电解质中离子输运和循环稳定性。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-13 DOI: 10.3390/nano16040246
Honghao Liang, Yubing Guo, Ji Chen, Zhihao Zhang, Ziqiang Xu

Poly(ethylene oxide) (PEO)-based solid electrolytes are promising candidates for solid-state lithium metal batteries because of their flexibility and ease of processing. However, their practical application is limited by insufficient mechanical strength and poor interfacial stability. Conventional single-filler strategies typically improve either ionic conductivity or mechanical robustness, making it challenging to simultaneously optimize both properties. In this work, a dual-ceramic strategy is proposed that integrates inert and active ceramic fillers with complementary roles to construct a polymer electrolyte that is both mechanically robust and ionically conductive. The inert ceramic filler promotes lithium-salt dissociation and Li+ transport, whereas the active ceramic filler enhances structural integrity and suppresses lithium dendrite growth, enabling a synergistic balance between ionic transport and cycling stability. As a representative implementation, paraelectric SrTiO3 and Li+-conducting Li6.4La3Zr1.4Ta0.6O12 (LLZTO) are incorporated into the PEO/LiTFSI matrix to construct a composite solid electrolyte (PLLS). The optimized PLLS electrolyte, containing 8 wt% STO and 5 wt% LLZTO, exhibits a high ionic conductivity of 4.48×10-4Scm-1, an increased Li+ transference number of 0.20, and a wide electrochemical stability window of 5.165 V versus Li/Li+ at 60 °C. Li/Li symmetric cells demonstrate stable lithium plating/stripping for nearly 2000 h at a current density of0.2mAcm-2. Furthermore, LiFePO4/Li full cells retain 92.1% of their initial capacity after 500 cycles at 1 C, and stable cycling performance is also achieved with high-voltage LiCoO2 cathodes. These results demonstrate that the proposed dual-ceramic synergistic strategy offers an effective and potentially generalizable approach to enhancing the durability of PEO-based solid electrolytes for long-life solid-state lithium metal batteries.

聚环氧乙烷(PEO)基固体电解质因其灵活性和易于加工而成为固态锂金属电池的有希望的候选者。但其机械强度不足,界面稳定性差,限制了其实际应用。传统的单填料策略通常可以提高离子电导率或机械稳健性,这使得同时优化这两种性能具有挑战性。在这项工作中,提出了一种双陶瓷策略,将惰性和活性陶瓷填料与互补作用集成在一起,以构建既具有机械稳健性又具有离子导电性的聚合物电解质。惰性陶瓷填料促进锂盐解离和Li+输运,而活性陶瓷填料增强结构完整性并抑制锂枝晶生长,实现离子输运和循环稳定性之间的协同平衡。作为一种代表性的实现,将准电SrTiO3和Li+导电Li6.4La3Zr1.4Ta0.6O12 (LLZTO)加入到PEO/LiTFSI基体中,构建复合固体电解质(PLLS)。优化后的PLLS电解质含有8 wt% STO和5 wt% LLZTO,具有较高的离子电导率4.48×10-4Scm-1,增加了0.20的Li+转移数,与Li/Li+相比,在60°C时具有5.165 V的宽电化学稳定窗口。在0.2 macm -2的电流密度下,Li/Li对称电池可以稳定地镀锂/剥离近2000小时。此外,LiFePO4/Li电池在1℃下循环500次后仍保持其初始容量的92.1%,并且在高压LiCoO2阴极下也实现了稳定的循环性能。这些结果表明,所提出的双陶瓷协同策略为提高peo基固体电解质用于长寿命固态锂金属电池的耐久性提供了一种有效且具有潜在推广意义的方法。
{"title":"Synergistic Enhancement of Ion Transport and Cycling Stability in Composite Solid Electrolytes via Inert/Active Dual-Ceramic Fillers.","authors":"Honghao Liang, Yubing Guo, Ji Chen, Zhihao Zhang, Ziqiang Xu","doi":"10.3390/nano16040246","DOIUrl":"10.3390/nano16040246","url":null,"abstract":"<p><p>Poly(ethylene oxide) (PEO)-based solid electrolytes are promising candidates for solid-state lithium metal batteries because of their flexibility and ease of processing. However, their practical application is limited by insufficient mechanical strength and poor interfacial stability. Conventional single-filler strategies typically improve either ionic conductivity or mechanical robustness, making it challenging to simultaneously optimize both properties. In this work, a dual-ceramic strategy is proposed that integrates inert and active ceramic fillers with complementary roles to construct a polymer electrolyte that is both mechanically robust and ionically conductive. The inert ceramic filler promotes lithium-salt dissociation and Li<sup>+</sup> transport, whereas the active ceramic filler enhances structural integrity and suppresses lithium dendrite growth, enabling a synergistic balance between ionic transport and cycling stability. As a representative implementation, paraelectric SrTiO<sub>3</sub> and Li<sup>+</sup>-conducting Li<sub>6.4</sub>La<sub>3</sub>Zr<sub>1.4</sub>Ta<sub>0.6</sub>O<sub>12</sub> (LLZTO) are incorporated into the PEO/LiTFSI matrix to construct a composite solid electrolyte (PLLS). The optimized PLLS electrolyte, containing 8 wt% STO and 5 wt% LLZTO, exhibits a high ionic conductivity of 4.48×10-4Scm-1, an increased Li<sup>+</sup> transference number of 0.20, and a wide electrochemical stability window of 5.165 V versus Li/Li<sup>+</sup> at 60 °C. Li/Li symmetric cells demonstrate stable lithium plating/stripping for nearly 2000 h at a current density of0.2mAcm-2. Furthermore, LiFePO<sub>4</sub>/Li full cells retain 92.1% of their initial capacity after 500 cycles at 1 C, and stable cycling performance is also achieved with high-voltage LiCoO<sub>2</sub> cathodes. These results demonstrate that the proposed dual-ceramic synergistic strategy offers an effective and potentially generalizable approach to enhancing the durability of PEO-based solid electrolytes for long-life solid-state lithium metal batteries.</p>","PeriodicalId":18966,"journal":{"name":"Nanomaterials","volume":"16 4","pages":""},"PeriodicalIF":4.3,"publicationDate":"2026-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12942825/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147290723","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Emerging 2D MXene Materials for Flexible Thermoelectric Energy Harvesting. 用于柔性热电能量收集的新兴二维MXene材料。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-13 DOI: 10.3390/nano16040244
Jiahui Li, Xiaoyu Shi, Qiudi Lu, Yang Zhang, Zhangping Jin, Binghan Dai, Bo Wu

The pursuit of energy-efficient technologies is crucial for achieving sustainability amid rising global energy demands and climate concerns. MXenes-a class of two-dimensional (2D) transition metal carbides, nitrides, and carbonitrides-have recently attracted significant attention in thermoelectric (TE) research due to their outstanding electrical conductivity, tunable surface chemistry, and unique layered structures. This review uniquely focuses on the integration of MXenes into flexible and wearable platforms, offering a systematic analysis of material innovations specifically tailored to mechanical compliance. Beyond material-level transport properties, we critically evaluate actual device-level demonstrations, including fabrication strategies for flexible TE generators (f-TEGs), that achieve impressive outputs, such as Seebeck voltages of up to 399.9 mV for 200 p-n modules. To assist readers in gauging progress, we provide a comprehensive comparative analysis of diverse MXene architectures, summarized in a quantitative benchmark table covering Seebeck coefficients (S), electrical conductivity (σ), power factor (PF), and ZT values. Notably, experimental optimization has led to performance breakthroughs, with MXene-based flexible films exhibiting power factors exceeding 2100 µW m-1 K-2 and ZT values as high as 1.33 at room temperature. Finally, critical challenges, including environmental stability and large-scale manufacturing, are discussed alongside future perspectives on multifunctional MXene systems.

在全球能源需求和气候问题不断上升的背景下,追求节能技术对于实现可持续发展至关重要。mxenes是一类二维(2D)过渡金属碳化物、氮化物和碳氮化物,由于其出色的导电性、可调的表面化学性质和独特的层状结构,最近在热电(TE)研究中引起了极大的关注。本综述特别关注将MXenes集成到灵活的可穿戴平台中,对专门针对机械合规性量身定制的材料创新进行了系统分析。除了材料级传输特性之外,我们还严格评估了实际的设备级演示,包括柔性TE发生器(f- teg)的制造策略,该策略可以实现令人印象深刻的输出,例如200个p-n模块的塞贝克电压高达399.9 mV。为了帮助读者衡量进展,我们提供了不同MXene架构的全面比较分析,总结在一个定量基准表中,包括塞贝克系数(S)、电导率(σ)、功率因数(PF)和ZT值。值得注意的是,实验优化带来了性能突破,基于mxene的柔性薄膜在室温下的功率因数超过2100 μ W m-1 K-2, ZT值高达1.33。最后,讨论了包括环境稳定性和大规模制造在内的关键挑战,以及多功能MXene系统的未来前景。
{"title":"Emerging 2D MXene Materials for Flexible Thermoelectric Energy Harvesting.","authors":"Jiahui Li, Xiaoyu Shi, Qiudi Lu, Yang Zhang, Zhangping Jin, Binghan Dai, Bo Wu","doi":"10.3390/nano16040244","DOIUrl":"10.3390/nano16040244","url":null,"abstract":"<p><p>The pursuit of energy-efficient technologies is crucial for achieving sustainability amid rising global energy demands and climate concerns. MXenes-a class of two-dimensional (2D) transition metal carbides, nitrides, and carbonitrides-have recently attracted significant attention in thermoelectric (TE) research due to their outstanding electrical conductivity, tunable surface chemistry, and unique layered structures. This review uniquely focuses on the integration of MXenes into flexible and wearable platforms, offering a systematic analysis of material innovations specifically tailored to mechanical compliance. Beyond material-level transport properties, we critically evaluate actual device-level demonstrations, including fabrication strategies for flexible TE generators (f-TEGs), that achieve impressive outputs, such as Seebeck voltages of up to 399.9 mV for 200 p-n modules. To assist readers in gauging progress, we provide a comprehensive comparative analysis of diverse MXene architectures, summarized in a quantitative benchmark table covering Seebeck coefficients (S), electrical conductivity (σ), power factor (PF), and ZT values. Notably, experimental optimization has led to performance breakthroughs, with MXene-based flexible films exhibiting power factors exceeding 2100 µW m<sup>-1</sup> K<sup>-2</sup> and ZT values as high as 1.33 at room temperature. Finally, critical challenges, including environmental stability and large-scale manufacturing, are discussed alongside future perspectives on multifunctional MXene systems.</p>","PeriodicalId":18966,"journal":{"name":"Nanomaterials","volume":"16 4","pages":""},"PeriodicalIF":4.3,"publicationDate":"2026-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12942904/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147290366","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Leveraging Machine Learning for Screening Metal-Organic Frameworks with Selective CO2 Recognition for Early Thermal Runaway in Lithium-Ion Batteries. 利用机器学习筛选具有选择性CO2识别的金属有机框架,用于锂离子电池早期热失控。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-13 DOI: 10.3390/nano16040245
Xian Wei, Xin Li, Xiong Wang, Xiaoyan Liu, Chen Zhu

The escalation of thermal runaway in lithium-ion batteries presents severe safety hazards that necessitate advanced monitoring protocols to ensure early warning of potential failures. Carbon dioxide (CO2) is released during preliminary decomposition well before catastrophic failure occurs, thereby providing a strategic advantage for early-stage warning. Consequently, identifying materials with high-selective CO2 recognition is an essential prerequisite for developing reliable sensing platforms. This study integrates Grand Canonical Monte Carlo simulations with Random Forest (RF) models to systematically screen 1470 MOFs from the CoRE-MOF 2019 database. The screening process evaluates selective CO2 recognition under multicomponent competitive adsorption conditions involving CO2, C2H4, and O2. The performance evaluation is based on working capacity, selectivity, and the trade-off between working capacity and selectivity (TSN). The RF model achieves high predictive accuracy, with tested R2 exceeding 0.92 on the test samples. Shapley Additive Explanations (SHAP) interpretability analysis identifies Q0st(CO2), Q0st(C2H4), WEPA, KH(C2H4), and ETR as key performance drivers. The results indicate that CO2 selectivity is constrained by the binding strength of competing C2H4. Optimal materials tend to have hard Lewis acid centers and polar inorganic clusters to minimize non-specific π-interactions with interfering species. Top-performing MOFs require balanced structural features, concentrating in moderate surface areas (965-1975 m2/g), narrow pore windows (PLD ≈ 4-7 Å, LCD ≈ 5.5-9.6 Å), high void fractions above 0.6, and low densities below 1.3 g/cm3. AJOTEY emerges as the optimal candidate with a TSN of 6.43 mol/kg, combining substantial working capacity (4.57 mol/kg) with strong selectivity (25.52). These results will accelerate the discovery of sensing materials and provide a practical pathway for MOF-based CO2 sensor development to enhance lithium-ion battery safety.

锂离子电池热失控的升级带来了严重的安全隐患,需要先进的监测协议来确保潜在故障的早期预警。在灾难性故障发生之前,二氧化碳(CO2)在初步分解过程中释放,从而为早期预警提供了战略优势。因此,识别具有高选择性CO2识别的材料是开发可靠传感平台的必要先决条件。本研究将大规范蒙特卡罗模拟与随机森林(RF)模型相结合,系统地筛选了CoRE-MOF 2019数据库中的1470个mof。筛选过程评估了在涉及CO2、C2H4和O2的多组分竞争吸附条件下对CO2的选择性识别。绩效评价基于工作能力、选择性以及工作能力和选择性之间的权衡(TSN)。该模型具有较高的预测精度,对测试样本的检验R2超过0.92。Shapley加性解释(SHAP)可解释性分析将Q0st(CO2)、Q0st(C2H4)、WEPA、KH(C2H4)和ETR确定为关键绩效驱动因素。结果表明,CO2选择性受竞争C2H4结合强度的限制。最佳材料往往具有坚硬的路易斯酸中心和极性无机团簇,以减少与干扰物质的非特异性π相互作用。高性能mof需要平衡的结构特征,集中在中等表面积(965-1975 m2/g),窄孔窗(PLD≈4-7 Å, LCD≈5.5-9.6 Å),高孔隙分数大于0.6,低密度低于1.3 g/cm3。AJOTEY的TSN为6.43 mol/kg,具有较高的工作能力(4.57 mol/kg)和较强的选择性(25.52)。这些结果将加速传感材料的发现,并为基于mof的二氧化碳传感器的开发提供切实可行的途径,以提高锂离子电池的安全性。
{"title":"Leveraging Machine Learning for Screening Metal-Organic Frameworks with Selective CO<sub>2</sub> Recognition for Early Thermal Runaway in Lithium-Ion Batteries.","authors":"Xian Wei, Xin Li, Xiong Wang, Xiaoyan Liu, Chen Zhu","doi":"10.3390/nano16040245","DOIUrl":"10.3390/nano16040245","url":null,"abstract":"<p><p>The escalation of thermal runaway in lithium-ion batteries presents severe safety hazards that necessitate advanced monitoring protocols to ensure early warning of potential failures. Carbon dioxide (CO<sub>2</sub>) is released during preliminary decomposition well before catastrophic failure occurs, thereby providing a strategic advantage for early-stage warning. Consequently, identifying materials with high-selective CO<sub>2</sub> recognition is an essential prerequisite for developing reliable sensing platforms. This study integrates Grand Canonical Monte Carlo simulations with Random Forest (RF) models to systematically screen 1470 MOFs from the CoRE-MOF 2019 database. The screening process evaluates selective CO<sub>2</sub> recognition under multicomponent competitive adsorption conditions involving CO<sub>2</sub>, C<sub>2</sub>H<sub>4</sub>, and O<sub>2</sub>. The performance evaluation is based on working capacity, selectivity, and the trade-off between working capacity and selectivity (<i>TSN</i>). The RF model achieves high predictive accuracy, with tested <i>R</i><sup>2</sup> exceeding 0.92 on the test samples. Shapley Additive Explanations (SHAP) interpretability analysis identifies <i>Q</i><sup>0</sup><i><sub>st</sub></i>(CO<sub>2</sub>), <i>Q</i><sup>0</sup><i><sub>st</sub></i>(C<sub>2</sub>H<sub>4</sub>), <i>WEPA</i>, <i>K<sub>H</sub></i>(C<sub>2</sub>H<sub>4</sub>), and <i>ETR</i> as key performance drivers. The results indicate that CO<sub>2</sub> selectivity is constrained by the binding strength of competing C<sub>2</sub>H<sub>4</sub>. Optimal materials tend to have hard Lewis acid centers and polar inorganic clusters to minimize non-specific π-interactions with interfering species. Top-performing MOFs require balanced structural features, concentrating in moderate surface areas (965-1975 m<sup>2</sup>/g), narrow pore windows (<i>PLD</i> ≈ 4-7 Å, <i>LCD</i> ≈ 5.5-9.6 Å), high void fractions above 0.6, and low densities below 1.3 g/cm<sup>3</sup>. AJOTEY emerges as the optimal candidate with a <i>TSN</i> of 6.43 mol/kg, combining substantial working capacity (4.57 mol/kg) with strong selectivity (25.52). These results will accelerate the discovery of sensing materials and provide a practical pathway for MOF-based CO<sub>2</sub> sensor development to enhance lithium-ion battery safety.</p>","PeriodicalId":18966,"journal":{"name":"Nanomaterials","volume":"16 4","pages":""},"PeriodicalIF":4.3,"publicationDate":"2026-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12942749/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147290463","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
TCAD Simulation of STI Depth and SiO2/Silicon Interface Trap Modulation Effects on Low-Frequency Noise in HZO-Based Nanosheet FETs. 基于hzo的纳米片场效应管中STI深度和SiO2/硅界面阱调制对低频噪声影响的TCAD模拟。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-13 DOI: 10.3390/nano16040248
Wonbok Lee, Jonghwan Lee

This study analyzed the low-frequency noise characteristics of nanosheet field-effect transistors (NSFETs) using technology computer-aided design (TCAD) simulations. In particular, the effects of shallow trench isolation (STI) depth and gate-insulator interface trap density on the device's flicker noise power spectral density (PSD) were systematically evaluated. The simulation results show that as STI depth increases, excessive trap charges formed in the STI oxide can deplete or invert the substrate beneath the STI layer, reducing the threshold voltage of parasitic transistors and thereby increasing flicker noise. In contrast, the shallow STI structure's trapped charge density was found to be lower than in thicker structures. Additionally, when an HfO2-ZrO2 (HZO)-based ferroelectric insulator is applied, improved gate-field control and reduced trap-induced noise are observed compared to HfO2. Optimization results indicate that the optimal noise performance is achieved with an STI depth of 3 nm and a SiO2/silicon interface trap density of 1 × 1010 eV-1cm-2. This study provides a design direction for low-noise NSFETs through structural (STI) and material (interface traps and HZO) optimization and is expected to contribute to the development of next-generation low-power, high-reliability logic devices.

本文采用计算机辅助设计(TCAD)仿真技术分析了纳米片场效应晶体管(nsfet)的低频噪声特性。特别是,系统地评估了浅沟槽隔离(STI)深度和栅极-绝缘子界面陷阱密度对器件闪烁噪声功率谱密度的影响。仿真结果表明,随着STI深度的增加,STI氧化物中形成的过量陷阱电荷会耗尽或反转STI层下的衬底,从而降低寄生晶体管的阈值电压,从而增加闪烁噪声。相比之下,较浅的STI结构的捕获电荷密度比较厚的结构低。此外,当使用HfO2- zro2 (HZO)基铁电绝缘子时,与HfO2相比,栅极场控制得到改善,陷阱引起的噪声降低。优化结果表明,当STI深度为3 nm, SiO2/硅界面阱密度为1 × 1010 eV-1cm-2时,噪声性能最佳。本研究通过结构(STI)和材料(界面陷阱和HZO)优化为低噪声nsfet提供了设计方向,并有望为下一代低功耗,高可靠性逻辑器件的开发做出贡献。
{"title":"TCAD Simulation of STI Depth and SiO<sub>2</sub>/Silicon Interface Trap Modulation Effects on Low-Frequency Noise in HZO-Based Nanosheet FETs.","authors":"Wonbok Lee, Jonghwan Lee","doi":"10.3390/nano16040248","DOIUrl":"10.3390/nano16040248","url":null,"abstract":"<p><p>This study analyzed the low-frequency noise characteristics of nanosheet field-effect transistors (NSFETs) using technology computer-aided design (TCAD) simulations. In particular, the effects of shallow trench isolation (STI) depth and gate-insulator interface trap density on the device's flicker noise power spectral density (PSD) were systematically evaluated. The simulation results show that as STI depth increases, excessive trap charges formed in the STI oxide can deplete or invert the substrate beneath the STI layer, reducing the threshold voltage of parasitic transistors and thereby increasing flicker noise. In contrast, the shallow STI structure's trapped charge density was found to be lower than in thicker structures. Additionally, when an HfO<sub>2</sub>-ZrO<sub>2</sub> (HZO)-based ferroelectric insulator is applied, improved gate-field control and reduced trap-induced noise are observed compared to HfO<sub>2</sub>. Optimization results indicate that the optimal noise performance is achieved with an STI depth of 3 nm and a SiO<sub>2</sub>/silicon interface trap density of 1 × 10<sup>10</sup> eV<sup>-1</sup>cm<sup>-2</sup>. This study provides a design direction for low-noise NSFETs through structural (STI) and material (interface traps and HZO) optimization and is expected to contribute to the development of next-generation low-power, high-reliability logic devices.</p>","PeriodicalId":18966,"journal":{"name":"Nanomaterials","volume":"16 4","pages":""},"PeriodicalIF":4.3,"publicationDate":"2026-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12942812/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147290673","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Spin-Orbit Torque-Driven Perpendicular Magnetization Switching for Artificial Synapses in Co/Ho Multilayer Systems. Co/Ho多层系统人工突触的自旋轨道转矩驱动垂直磁化开关。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-13 DOI: 10.3390/nano16040243
Shaomin Li, Yidan Wei, Yuanyuan Chen, Kangyue Qu, Pingping Yu, Yanfeng Jiang

Spin-orbit torque (SOT)-based spintronic devices have emerged as a preferred candidate for next-generation artificial synaptic devices due to their advantages of non-volatility, high speed, and low power consumption. The development of high-performance SOT-based artificial synaptic devices relies on the breakthrough in SOT-driven magnetization switching, wherein the performance regulation and structural design of the magnetic layer are the core critical factors. In this work, the Co/Ho multilayer system is employed as the magnetic layer to investigate its SOT-driven magnetization switching characteristics and application potential in artificial synapses. By regulating the periodic parameters of the Co/Ho multilayer structure, high perpendicular magnetic anisotropy (PMA) can be stably maintained in devices with relatively thick ferrimagnetic layers. Moreover, we elucidate the role of the antiferromagnetic coupling interface between Co and Ho in the multilayer structure in enhancing SOT efficiency and demonstrate the achievement of a high spin Hall angle of up to 0.22. The high SOT efficiency of the system enables it to drive the 8.4 nm-thick magnetic layer to achieve highly stable magnetization switching. Multistate magnetization switching behavior is observed, which can be used to simulate synaptic weight updates in neuromorphic networks, demonstrating the broad application prospects of this system in the field of artificial neural networks.

基于自旋轨道转矩(SOT)的自旋电子器件因其无挥发性、高速度和低功耗等优点而成为下一代人工突触器件的首选。高性能的基于sot的人工突触器件的发展依赖于sot驱动的磁化开关的突破,其中磁性层的性能调节和结构设计是核心关键因素。本文以Co/Ho多层系统为磁层,研究了其在人工突触中驱动的磁化开关特性及其应用潜力。通过调节Co/Ho多层结构的周期参数,可以在具有较厚铁磁层的器件中稳定地保持高垂直磁各向异性。此外,我们阐明了多层结构中Co和Ho之间的反铁磁耦合界面在提高SOT效率方面的作用,并证明实现了高达0.22的高自旋霍尔角。该系统的高SOT效率使其能够驱动8.4 nm厚的磁层,实现高度稳定的磁化开关。观察到多态磁化切换行为,可用于模拟神经形态网络中的突触权更新,显示了该系统在人工神经网络领域的广阔应用前景。
{"title":"Spin-Orbit Torque-Driven Perpendicular Magnetization Switching for Artificial Synapses in Co/Ho Multilayer Systems.","authors":"Shaomin Li, Yidan Wei, Yuanyuan Chen, Kangyue Qu, Pingping Yu, Yanfeng Jiang","doi":"10.3390/nano16040243","DOIUrl":"10.3390/nano16040243","url":null,"abstract":"<p><p>Spin-orbit torque (SOT)-based spintronic devices have emerged as a preferred candidate for next-generation artificial synaptic devices due to their advantages of non-volatility, high speed, and low power consumption. The development of high-performance SOT-based artificial synaptic devices relies on the breakthrough in SOT-driven magnetization switching, wherein the performance regulation and structural design of the magnetic layer are the core critical factors. In this work, the Co/Ho multilayer system is employed as the magnetic layer to investigate its SOT-driven magnetization switching characteristics and application potential in artificial synapses. By regulating the periodic parameters of the Co/Ho multilayer structure, high perpendicular magnetic anisotropy (PMA) can be stably maintained in devices with relatively thick ferrimagnetic layers. Moreover, we elucidate the role of the antiferromagnetic coupling interface between Co and Ho in the multilayer structure in enhancing SOT efficiency and demonstrate the achievement of a high spin Hall angle of up to 0.22. The high SOT efficiency of the system enables it to drive the 8.4 nm-thick magnetic layer to achieve highly stable magnetization switching. Multistate magnetization switching behavior is observed, which can be used to simulate synaptic weight updates in neuromorphic networks, demonstrating the broad application prospects of this system in the field of artificial neural networks.</p>","PeriodicalId":18966,"journal":{"name":"Nanomaterials","volume":"16 4","pages":""},"PeriodicalIF":4.3,"publicationDate":"2026-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12942987/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147290680","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ozone Synthesis Based on Dielectric Barrier Discharge Coupled Catalyst: Research Status and Future Perspectives. 基于介质阻挡放电耦合催化剂的臭氧合成研究现状与展望。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-12 DOI: 10.3390/nano16040238
Meng Li, Li Xu, Lei Wang, Wei Zhang, Yang Yang, Zhen Wang, Dapeng Wu, Kai Jiang

Efficient ozone synthesis has always been the pursuit of ozone workers and the foundation for the industrial application of ozone reactors. Recently, with continuous breakthroughs in materials and catalyst research, as well as the rapid development of advanced characterization technologies, introducing catalysts into dielectric barrier discharge (DBD) to build a DBD-catalyst coupled system has developed into an advanced means of improving ozone synthesis and attracted widespread attention. This review aims to provide a systematic summary for the research status of the DBD-catalyst coupled system in the field of ozone synthesis. Firstly, the structure of DBD reactors (type and shape of the electrode, etc.), catalyst types and the coupling method of DBD and catalysts (such as catalyst packing, catalyst coating/film) for the DBD-catalyst coupled system are discussed. Subsequently, the relevant mechanisms involving plasma gas-phase reactions and gas-solid interface reactions for elevating discharge ozone synthesis through coupling catalysts with DBD are summarized and analyzed. Afterwards, the research status of the DBD-catalyst coupled system in the field of ozone synthesis is surveyed. At present, the optimal ozone synthesis performance of the reactor with packed catalyst in air plasma (γ-Al2O3 sphere) is 0.96 g/Nm3 and 103 g/kWh, and in oxygen plasma (SiO2 particle) is 130 g/Nm3 and 91 g/kWh, respectively. For the reactor coupled with a catalyst coating, the performance reaches 19.3 g/Nm3 and 320 g/kWh in oxygen plasma (TiO2). Then, advanced plasma parameter detection techniques (i.e., optical emission spectroscopy and two-photon absorption laser-induced fluorescence) are expatiated to observe the changes in plasma parameters within the discharge system and then provide strong support for further in-depth research and analysis of the enhancement mechanism of coupling catalysts on ozone synthesis. Finally, a short conclusion, together with the current challenges and future opportunities of the DBD-catalyst coupled system in improving ozone synthesis, are proposed.

高效的臭氧合成一直是臭氧工作者的追求,也是臭氧反应器工业应用的基础。近年来,随着材料和催化剂研究的不断突破,以及先进表征技术的快速发展,将催化剂引入介质阻挡放电(DBD)中,构建DBD-催化剂耦合体系已成为改善臭氧合成的先进手段,受到广泛关注。本文对dbd -催化剂耦合体系在臭氧合成领域的研究现状进行了系统的综述。首先,讨论了DBD反应器的结构(电极的类型和形状等)、催化剂的种类以及DBD-催化剂耦合体系中DBD与催化剂的耦合方式(如催化剂填料、催化剂涂层/膜)。总结分析了DBD偶联催化剂提升放电臭氧合成的相关机理,包括等离子体气相反应和气固界面反应。随后,综述了dbd -催化剂耦合体系在臭氧合成领域的研究现状。目前,填料催化剂反应器在空气等离子体(γ-Al2O3球)中的最佳臭氧合成性能为0.96 g/Nm3和103 g/kWh,在氧等离子体(SiO2颗粒)中的最佳臭氧合成性能为130 g/Nm3和91 g/kWh。对于耦合催化剂涂层的反应器,在氧等离子体(TiO2)中的性能达到19.3 g/Nm3和320 g/kWh。然后,阐述了先进的等离子体参数检测技术(即光学发射光谱和双光子吸收激光诱导荧光),观察放电系统内等离子体参数的变化,为进一步深入研究和分析偶联催化剂对臭氧合成的增强机理提供有力支持。最后,对dbd -催化剂偶联体系在改善臭氧合成方面面临的挑战和未来的机遇进行了简要的总结。
{"title":"Ozone Synthesis Based on Dielectric Barrier Discharge Coupled Catalyst: Research Status and Future Perspectives.","authors":"Meng Li, Li Xu, Lei Wang, Wei Zhang, Yang Yang, Zhen Wang, Dapeng Wu, Kai Jiang","doi":"10.3390/nano16040238","DOIUrl":"10.3390/nano16040238","url":null,"abstract":"<p><p>Efficient ozone synthesis has always been the pursuit of ozone workers and the foundation for the industrial application of ozone reactors. Recently, with continuous breakthroughs in materials and catalyst research, as well as the rapid development of advanced characterization technologies, introducing catalysts into dielectric barrier discharge (DBD) to build a DBD-catalyst coupled system has developed into an advanced means of improving ozone synthesis and attracted widespread attention. This review aims to provide a systematic summary for the research status of the DBD-catalyst coupled system in the field of ozone synthesis. Firstly, the structure of DBD reactors (type and shape of the electrode, etc.), catalyst types and the coupling method of DBD and catalysts (such as catalyst packing, catalyst coating/film) for the DBD-catalyst coupled system are discussed. Subsequently, the relevant mechanisms involving plasma gas-phase reactions and gas-solid interface reactions for elevating discharge ozone synthesis through coupling catalysts with DBD are summarized and analyzed. Afterwards, the research status of the DBD-catalyst coupled system in the field of ozone synthesis is surveyed. At present, the optimal ozone synthesis performance of the reactor with packed catalyst in air plasma (γ-Al<sub>2</sub>O<sub>3</sub> sphere) is 0.96 g/Nm<sup>3</sup> and 103 g/kWh, and in oxygen plasma (SiO<sub>2</sub> particle) is 130 g/Nm<sup>3</sup> and 91 g/kWh, respectively. For the reactor coupled with a catalyst coating, the performance reaches 19.3 g/Nm<sup>3</sup> and 320 g/kWh in oxygen plasma (TiO<sub>2</sub>). Then, advanced plasma parameter detection techniques (i.e., optical emission spectroscopy and two-photon absorption laser-induced fluorescence) are expatiated to observe the changes in plasma parameters within the discharge system and then provide strong support for further in-depth research and analysis of the enhancement mechanism of coupling catalysts on ozone synthesis. Finally, a short conclusion, together with the current challenges and future opportunities of the DBD-catalyst coupled system in improving ozone synthesis, are proposed.</p>","PeriodicalId":18966,"journal":{"name":"Nanomaterials","volume":"16 4","pages":""},"PeriodicalIF":4.3,"publicationDate":"2026-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12942861/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147290528","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Impact of Carbon Diffusion Induced Stress on the Properties of Diamond/GaN Heterojunctions. 碳扩散诱导应力对金刚石/GaN异质结性能的影响。
IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-02-12 DOI: 10.3390/nano16040241
Haolun Sun, Mei Wu, Peng Xu, Chao Yuan, Ling Yang, Hao Lu, Bin Hou, Meng Zhang, Xiaohua Ma, Yue Hao

Integrating diamond with GaN provides an effective pathway to mitigate self-heating. However, the thermal boundary resistance (TBR) remains a persistent bottleneck for further heat dissipation. While carbon (C) diffusion into the SiNx interlayer is known to reduce TBR, the associated stress evolution and its impact on device performance remain underexplored. In this work, the synergistic regulation of heat transport and electrical performance induced by C diffusion was systematically investigated. Transmission electron microscopy (TEM) was employed to characterize the interfacial microstructure and the influence of C diffusion on the interface. To further assess the resulting impact on heat dissipation, transient thermoreflectance was utilized to precisely quantify the thermal transport within the heterostructures. Classical molecular dynamics (MD) simulations were then performed to analyze the underlying physical mechanisms, revealing that intensifying C diffusion increases the phonon density of states overlap and effectively reduces the TBR. Furthermore, the intrinsic stress was quantified through geometric phase analysis (GPA) based on TEM images, demonstrating that the stress induced during the diffusion process propagates to the AlGaN/GaN heterostructure. Crucially, this stress modulation enhances the piezoelectric polarization by approximately 32%, resulting in a 5% increase in the two-dimensional electron gas (2DEG) sheet density. These findings provide a comprehensive strategy for optimizing the thermal management and mechanical reliability of high-power GaN devices.

将金刚石与氮化镓结合为减缓自热提供了有效途径。然而,热边界阻(TBR)仍然是进一步散热的持续瓶颈。虽然已知碳(C)扩散到SiNx夹层会降低TBR,但相关的应力演化及其对器件性能的影响仍未得到充分研究。本文系统地研究了C扩散对热传导和电性能的协同调节。采用透射电子显微镜(TEM)表征了界面微观结构以及C扩散对界面的影响。为了进一步评估对散热的影响,利用瞬态热反射来精确量化异质结构内的热传输。经典分子动力学(MD)模拟分析了其潜在的物理机制,揭示了C扩散的增强增加了态重叠的声子密度,有效地降低了TBR。此外,基于TEM图像的几何相分析(GPA)量化了本征应力,表明扩散过程中产生的应力传播到AlGaN/GaN异质结构中。至关重要的是,这种应力调制使压电极化增强了约32%,导致二维电子气体(2DEG)片密度增加了5%。这些发现为优化高功率GaN器件的热管理和机械可靠性提供了一种全面的策略。
{"title":"Impact of Carbon Diffusion Induced Stress on the Properties of Diamond/GaN Heterojunctions.","authors":"Haolun Sun, Mei Wu, Peng Xu, Chao Yuan, Ling Yang, Hao Lu, Bin Hou, Meng Zhang, Xiaohua Ma, Yue Hao","doi":"10.3390/nano16040241","DOIUrl":"10.3390/nano16040241","url":null,"abstract":"<p><p>Integrating diamond with GaN provides an effective pathway to mitigate self-heating. However, the thermal boundary resistance (TBR) remains a persistent bottleneck for further heat dissipation. While carbon (C) diffusion into the SiNx interlayer is known to reduce TBR, the associated stress evolution and its impact on device performance remain underexplored. In this work, the synergistic regulation of heat transport and electrical performance induced by C diffusion was systematically investigated. Transmission electron microscopy (TEM) was employed to characterize the interfacial microstructure and the influence of C diffusion on the interface. To further assess the resulting impact on heat dissipation, transient thermoreflectance was utilized to precisely quantify the thermal transport within the heterostructures. Classical molecular dynamics (MD) simulations were then performed to analyze the underlying physical mechanisms, revealing that intensifying C diffusion increases the phonon density of states overlap and effectively reduces the TBR. Furthermore, the intrinsic stress was quantified through geometric phase analysis (GPA) based on TEM images, demonstrating that the stress induced during the diffusion process propagates to the AlGaN/GaN heterostructure. Crucially, this stress modulation enhances the piezoelectric polarization by approximately 32%, resulting in a 5% increase in the two-dimensional electron gas (2DEG) sheet density. These findings provide a comprehensive strategy for optimizing the thermal management and mechanical reliability of high-power GaN devices.</p>","PeriodicalId":18966,"journal":{"name":"Nanomaterials","volume":"16 4","pages":""},"PeriodicalIF":4.3,"publicationDate":"2026-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12943248/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147290507","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
期刊
Nanomaterials
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1