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Preparation of oxygen-enriched mesopore graphene for high performance supercapacitor 高性能超级电容器用富氧中孔石墨烯的制备
IF 5.8 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-08-12 DOI: 10.1007/s42823-025-00958-8
Xinyang Zhang, Congcong Zhang, Jun Ni, Xiaoliang Wu

Graphene materials show great potential in the field of supercapacitors, but their tendency to agglomerate leads to a significant decrease in performance. Herein, manganese dioxide intercalated graphene oxide precursor was prepared using the modified Hummer method. During pyrolysis, manganese dioxide can not only act as a separator to prevent graphene aggregation but also undergo redox reactions with graphene to obtain oxygen-rich mesopore graphene (OMG). Benefiting from the mesoporous structure and abundant oxygen-containing functional groups, the OMG-600 electrode shows a specific capacitance of 248.67 F g−1 at 0.5 A g−1 and good electrochemical stability (92.25% capacitance retention after 10,000 cycles). Moreover, the assembled OMG-600//OMG-600 symmetric supercapacitor delivers an energy density of 17.69 Wh kg−1 and superior electrochemical stabilization in 1 M Na2SO4 electrolyte.

石墨烯材料在超级电容器领域显示出巨大的潜力,但其易结块导致性能显著下降。本文采用改进的Hummer法制备了二氧化锰插层氧化石墨烯前驱体。在热解过程中,二氧化锰不仅可以作为阻止石墨烯聚集的分离器,还可以与石墨烯发生氧化还原反应,生成富氧中孔石墨烯(OMG)。得益于中孔结构和丰富的含氧官能团,OMG-600电极在0.5 a g−1时的比电容为248.67 F g−1,具有良好的电化学稳定性(10,000次循环后电容保持率为92.25%)。此外,组装的OMG-600//OMG-600对称超级电容器在1 M Na2SO4电解质中具有17.69 Wh kg−1的能量密度和优异的电化学稳定性。
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引用次数: 0
Study on fixation mechanism of soil available nutrients and optimization of production process of nutrient-rich biochar based on XGBoost machine learning prediction model 基于XGBoost机器学习预测模型的土壤速效养分固定机理及富营养化生物炭生产工艺优化研究
IF 5.8 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-08-11 DOI: 10.1007/s42823-025-00959-7
Jikai Lu, Bing Wang, Kenji Ogino, Hongyu Si, Yan Li

The loss of soil available nutrients may affect soil quality and crop growth. Biochar can form a multi-level fixed network because of its rich pore structure and surface functional groups, which can effectively fix available nutrients in soil and maintain nutrient utilization rate. Because it is difficult to directly prepare biochar materials with good adsorption characteristics through experimental results. This study employed an XGBoost machine learning prediction model to determine the optimal nutrient-rich biochar preparation conditions. The R2 value ranged from 0.97 to 0.99. The results indicated that specific surface area was the primary factor influencing ammonium nitrogen adsorption, with a feature importance of 56.13%. Production conditions (hydrothermal temperature and time) significantly affected the adsorption of nitrate nitrogen and available phosphorus, with feature importances of 75.91% and 81.54%, respectively. Mean pore diameter was negatively correlated with potassium ion adsorption characteristics. Biochar prepared under hydrothermal conditions at 202.50–251.25 °C for 3 h exhibited favorable adsorption characteristics for multiple soil available nutrients. This study provides new insights into biochar’s application in the field of soil nutrient adsorption through data analysis. It is helpful to avoid the waste in the process of energy utilization from biomass to biochar.

土壤有效养分的流失会影响土壤质量和作物生长。生物炭由于其丰富的孔隙结构和表面官能团,可以形成多层次的固定网络,有效地固定土壤中的速效养分,保持养分利用率。因为通过实验结果很难直接制备出具有良好吸附特性的生物炭材料。本研究采用XGBoost机器学习预测模型确定富营养生物炭的最佳制备条件。R2值为0.97 ~ 0.99。结果表明,比表面积是影响铵态氮吸附的主要因素,特征重要性为56.13%。生产条件(热液温度和时间)对硝酸盐氮和有效磷的吸附有显著影响,特征重要度分别为75.91%和81.54%。平均孔径与钾离子吸附特性呈负相关。在202.50 ~ 251.25℃水热条件下制备的生物炭对多种土壤有效养分具有良好的吸附特性。本研究通过数据分析为生物炭在土壤养分吸附领域的应用提供了新的见解。这有助于避免生物质转化为生物炭的能源利用过程中的浪费。
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引用次数: 0
A comparative study of microstructures and thermal conductivities of nuclear graphite 核石墨的显微结构和热导率比较研究
IF 5.8 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-08-04 DOI: 10.1007/s42823-025-00954-y
Yibo Zhang, Derek Tsang, Qian Liao, Xu Qiao, Vinay Chauhan, Xianfeng Ma, Yuzhou Wang

Thermal property represents a critical metric when evaluating the performance of next generation nuclear graphite. Despite the extensive measurement data available, a detailed investigation into the influence of microstructure on graphite’s thermal conductivity remains underexplored. In this work, taking advantage of the distinct microstructures between different graphite grades, a comparative study of four graphite grades was conducted to elucidate the structure–property relationship. The microstructures of graphite were characterized by Raman spectroscopy and X-ray diffraction techniques, demonstrating specimen preparation induced damage and annealing induced restoration. Thermal properties were investigated across multiple scales using laser flash analysis and photothermal radiometry. The results indicate that despite similar densities, thermal conductivity varies significantly between different grades and correlates positively with crystallite sizes. By interpolating an infinitely large crystallite and removing the impact of macroscale porosity, an upper bound for the thermal conductivity of isotropic defect-free nuclear graphite has been established.

热性能是评价下一代核石墨性能的关键指标。尽管有大量可用的测量数据,但微观结构对石墨导热性影响的详细研究仍未得到充分的探讨。本文利用不同石墨品级的微观结构差异,对四种石墨品级进行了结构性能对比研究。利用拉曼光谱和x射线衍射技术对石墨的微观结构进行了表征,证明了样品制备诱导损伤和退火诱导修复。利用激光闪光分析和光热辐射测量法研究了多尺度的热性能。结果表明,尽管密度相似,但不同品位的热导率差异显著,且与晶粒尺寸呈正相关。通过插入无限大的晶体并去除宏观孔隙率的影响,建立了各向同性无缺陷核石墨导热系数的上界。
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引用次数: 0
Fabrication of CuO-βCD/Co-Al LDH nanocomposite for supercapacitor applications 超级电容器用CuO-βCD/Co-Al LDH纳米复合材料的制备
IF 5.8 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-08-04 DOI: 10.1007/s42823-025-00955-x
D. R. Anakha, K. Nithyadas, T. V. Vyshnavi, M. Ananthkumar, Pavithra R. Menon, R. Yamuna

Due to the severity of environmental degradation and depletion of natural energy resources, research on sustainable energy storage systems have become quite popular. Supercapacitor is one of the most innovative and promising type of energy storage devices. The effective performance of supercapacitor greatly depends on the electrode material. Therefore, new type of nanocomposite has been fabricated with βCD-stabilized CuO nanoparticles (CuO-βCD NPs) on Co-Al layered double hydroxide (Co-Al LDH) utilizing solvothermal process. The wet impregnation technique facilitates the formation of three distinct CuO-βCD/Co-Al LDH nanocomposites in the ratios of 1:1, 1:2, and 2:1 by promoting the growth of CuO-βCD on Co-Al LDH in corresponding compositions. Synthesized nanocomposites are characterized using a variety of spectroscopic techniques. The average pore size of 2:1 CuO-βCD/Co-Al LDH is 1.7 nm whereas the specific surface area and approximate pore volume of this nanocomposite are 38.306 m2 g−1 and 0.043 cm3 g−1, respectively. Electrochemical investigations like cyclic voltammetry (CV), galvanostatic charge–discharge (GCD), electrochemical impedance spectroscopic (EIS) measurements and along with cycle stability studies are performed to examine the electrochemical performance of synthesized nanocomposites. The 2:1 ratio has revealed improved specific capacitance (SC) of 1567 F g−1 at 0.45 A g−1 in 1 M potassium hydroxide medium in three electrode systems and maintains 76% of its original SC even after 5000 cycles. The improved electrochemical performance of 2:1 ratio reveals the appropriateness of this material as an effective electrode for supercapacitor application.

由于环境恶化的严重性和自然能源资源的枯竭,可持续储能系统的研究已成为热门。超级电容器是目前最具创新性和发展前景的储能器件之一。超级电容器的有效性能在很大程度上取决于电极材料。因此,利用溶剂热法在Co-Al层状双氧根(Co-Al LDH)上制备了β - cd稳定的CuO纳米粒子(CuO-βCD NPs)。湿浸渍技术通过促进CuO-βCD在Co-Al LDH上的生长,形成了三种不同比例的CuO-βCD/Co-Al LDH纳米复合材料,其比例分别为1:1、1:2和2:1。合成的纳米复合材料使用各种光谱技术进行表征。2:1 CuO-βCD/Co-Al LDH的平均孔径为1.7 nm,而该纳米复合材料的比表面积和近似孔体积分别为38.306 m2 g−1和0.043 cm3 g−1。通过循环伏安法(CV)、恒流充放电法(GCD)、电化学阻抗谱法(EIS)测量以及循环稳定性研究等电化学研究来检测合成纳米复合材料的电化学性能。2:1的比例表明,在1 M氢氧化钾介质中,在0.45 A g−1时,三电极系统的比电容(SC)提高到1567 F g−1,即使在5000次循环后仍保持其原始SC的76%。电化学性能以2:1的比例提高,表明该材料适合作为超级电容器的有效电极。
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引用次数: 0
Precision surface tailoring via chemical vapor deposition to electrospun nanofibers for next-generation applications 精密表面剪裁通过化学气相沉积到静电纺纳米纤维的下一代应用
IF 5.8 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-08-02 DOI: 10.1007/s42823-025-00957-9
Sumayah Shakil Wani, Anjum Hamid Rather, Salsabeel Amin Kabli, Ibtisam Hamid, Rumysa Saleem Khan, Mushtaq A. Beigh, Shafquat Majeed, Faheem A. Sheikh

Electrospun nanofibers have emerged as transformative materials due to their unparalleled surface-to-volume ratios, tunable porosity, and excellent mechanical flexibility, making them suitable for energy storage, catalysis, biomedicine, and environmental remediation. However, their inherent surface limitations—poor chemical stability, insufficient active sites, and limited functionality—restrict their full potential. Chemical vapor deposition (CVD) has risen as a game-changing post-synthesis modification strategy, enabling atomic-scale precision in surface engineering. This is also impactful for carbon-based nanofibers, where surface inertness limits their electrochemical performance. This review critically examines advanced CVD techniques, including atomic layer deposition (ALD), plasma-enhanced CVD (PECVD), and initiated CVD (iCVD), which enable the formation of conformal coatings, hierarchical functionalization, carbon nanotube integration, and interfacial optimization of as-spun nanofibers. We highlight breakthroughs in hydrophobicity, catalytic activity, biocompatibility, and energy storage performance, with applications ranging from oil–water separation to nerve gas detoxification, pH-responsive drug delivery, and high-capacity carbon-composite lithium-ion batteries. By dissecting deposition mechanisms, material innovations, and emerging applications, this work highlights the synergy between as-spun nanofibers and the exploitation of CVD techniques in designing versatile materials. Furthermore, advancements hinge on computational modeling, novel precursors, including carbon-rich sources, and scalable processes to bridge lab-scale innovations with industrial deployment are desired. This comprehensive analysis provides a guiding framework for researchers utilizing CVD techniques as a post-modification tool to develop nanofiber-based solutions addressing global challenges in sustainability, healthcare, and energy.

静电纺纳米纤维由于其无与伦比的表面体积比、可调节的孔隙率和优异的机械柔韧性而成为一种变革性材料,使其适用于能量储存、催化、生物医学和环境修复。然而,它们固有的表面限制——化学稳定性差、活性位点不足和功能有限——限制了它们的全部潜力。化学气相沉积(CVD)已经成为一种改变游戏规则的合成后修饰策略,使表面工程的原子尺度精度成为可能。这对碳基纳米纤维也有影响,因为表面惰性限制了它们的电化学性能。本文综述了先进的CVD技术,包括原子层沉积(ALD)、等离子体增强CVD (PECVD)和初始CVD (iCVD),这些技术能够形成适形涂层、分层功能化、碳纳米管集成和纳米纤维的界面优化。我们重点介绍了在疏水性、催化活性、生物相容性和储能性能方面的突破,其应用范围从油水分离到神经毒气解毒、ph响应药物输送和大容量碳复合锂离子电池。通过剖析沉积机制、材料创新和新兴应用,这项工作强调了在设计多功能材料时,纺丝纳米纤维和开发CVD技术之间的协同作用。此外,进步取决于计算建模,新颖的前体,包括富含碳的来源,以及可扩展的过程,将实验室规模的创新与工业部署联系起来。这一综合分析为研究人员利用CVD技术作为修饰后工具开发基于纳米纤维的解决方案提供了指导框架,以应对可持续性、医疗保健和能源方面的全球挑战。
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引用次数: 0
Graphene oxide/polyacrylonitrile/metal-organic framework-derived nitrogen-doped graphitic carbon electrode with hierarchically porous structure and high capacitive performance 氧化石墨烯/聚丙烯腈/金属有机骨架衍生的氮掺杂石墨碳电极具有分层多孔结构和高电容性能
IF 5.8 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-07-29 DOI: 10.1007/s42823-025-00956-w
Hui Wang, Zhongyun Xu, Na Zhang, Lirong Kong, Qingqing Li, Yajun Cheng

With high redox activity, superior conductivity, abundant pores, and large specific surface area, nitrogen-doped graphitic carbon featuring a hierarchically porous structure is regarded as ideal electrode material for supercapacitors. In this work, hierarchically porous nitrogen-doped graphitic carbon (PG-PZC50) was fabricated via non-solvent induced phase separation and high-temperature calcination processes. SEM images showed its three-dimensional network structure, with abundant macro- and mesopores distributed throughout. XRD and Raman spectra confirmed the phase purity and graphitic nature of the as-prepared material, while XPS revealed its surface elemental composition, especially the content and doping states of nitrogen atoms. The graphene oxide-induced three-dimensional network, combined with the mesoporous structure of metal-organic framework-derived N-doped carbon particles, creates abundant migration channels and a large adsorption surface area for the electrolyte ions. Benefiting from its hierarchically porous structure and high nitrogen-doping content, the formed PG-PZC50 reached high specific capacitances of 499.7 F g−1 at 0.1 A g−1 and 179.6 F g−1 at 20 A g−1. Notably, the material also demonstrated robust cyclic stability with no capacitance loss after 10,000 charge–discharge cycles. The proposed synthetic strategy provides new ideas for the facile and reproducible construction of nitrogen-doped graphitic carbon with 3D hierarchically porous structure and high capacitive performances.

氮掺杂石墨碳具有高的氧化还原活性、优异的导电性、丰富的孔隙和大的比表面积,具有分层多孔结构,是超级电容器理想的电极材料。本文采用非溶剂诱导相分离和高温煅烧工艺制备了分层多孔氮掺杂石墨碳(PG-PZC50)。扫描电镜显示其三维网状结构,具有丰富的宏孔和中孔分布。XRD和Raman光谱证实了所制备材料的相纯度和石墨性质,而XPS则揭示了其表面元素组成,特别是氮原子的含量和掺杂状态。氧化石墨烯诱导的三维网络,结合金属有机框架衍生的n掺杂碳颗粒的介孔结构,为电解质离子创造了丰富的迁移通道和大的吸附表面积。由于其分层多孔结构和高氮掺杂含量,所制得的PG-PZC50在0.1 A g−1和20 A g−1下的比电容分别达到499.7 F g−1和179.6 F g−1。值得注意的是,该材料还表现出强大的循环稳定性,在10,000次充放电循环后没有电容损失。所提出的合成策略为简便、可重复地构建具有三维分层多孔结构和高电容性能的氮掺杂石墨碳提供了新的思路。
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引用次数: 0
Effect of precursor structure on the pore structure and capacitance properties of porous carbons prepared by zinc chloride activation 前驱体结构对氯化锌活化法制备多孔炭的孔隙结构和电容性能的影响
IF 5.8 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-07-29 DOI: 10.1007/s42823-025-00953-z
Guishan Liu, Tao Huang, Hai Li, Xihong Zu, Yingjuan Sun, Wenli Zhang

The ZnCl2 chemical activation method is widely employed for the preparation of biomass-derived porous carbons. In most of the related studies, the emphasis lies on investigating how experimental preparation conditions impact the performance of the final products. However, the performance of the porous carbon also depends on the chemical structure of the carbon source. In this study, we used alkali lignin, ammoxidized lignin and sodium lignosulfonate as carbon sources to prepare porous carbon through ZnCl2 activation. The influence of the chemical structures of lignin on the activation process is explored. The porous carbons prepared from alkali lignin (ALC) and ammoxidized lignin (AOLC) both exhibit similar and relatively high specific surface areas (ALC: 1164 m2 g−1, AOLC: 1156 m2 g−1) and capacitance contribution ratios (ALC: 80.6%, AOLC: 79.4%). The porous carbon prepared from sodium lignosulfonate has a specific surface area of 890 m2 g−1 and a mesopore ratio of 26.1%, with the capacitance contribution accounting for only 75.1%. ZnS and NaCl generated during the activation process involving sodium lignosulfonate can partially enable mesopores by template effect, which in turn results in lower electrochemical properties. This study explores the reasons for the differences in ZnCl2 activation on different lignins, providing data to support research on the mechanism of how lignin structure influences ZnCl2 activation.

ZnCl2化学活化法被广泛应用于制备生物质衍生多孔碳。在大多数相关研究中,重点在于研究实验制备条件如何影响最终产品的性能。然而,多孔碳的性能还取决于碳源的化学结构。本研究以碱木质素、氨氧化木质素和木质素磺酸钠为碳源,通过ZnCl2活化法制备多孔炭。探讨了木质素的化学结构对活化过程的影响。碱木质素(ALC)和氨氧化木质素(AOLC)制备的多孔碳具有相似且较高的比表面积(ALC: 1164 m2 g−1,AOLC: 1156 m2 g−1)和电容贡献比(ALC: 80.6%, AOLC: 79.4%)。由木质素磺酸钠制备的多孔碳比表面积为890 m2 g−1,介孔率为26.1%,电容贡献仅为75.1%。木质素磺酸钠活化过程中产生的ZnS和NaCl会通过模板效应部分激活介孔,从而导致电化学性能降低。本研究探讨了ZnCl2在不同木质素上活化差异的原因,为木质素结构影响ZnCl2活化机制的研究提供数据支持。
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引用次数: 0
Rose petal wetting behavior realized by ultrathin laser-induced graphene 超薄激光诱导石墨烯实现玫瑰花瓣润湿行为
IF 5.8 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-07-28 DOI: 10.1007/s42823-025-00940-4
Hee Ra Lee, Hong Gun Kim, Tae-Wook Kim, Sukang Bae, Jong-Seong Bae, Ji-won Park, Seoung-Ki Lee

Laser-induced graphene (LIG) has emerged as a promising carbon nanomaterial platform owing to its scalability and tunable surface properties. Although its electrical and structural characteristics have been widely explored, the precise modulation of the surface energy remains challenging, particularly in ultrathin configurations. In this study, we investigated the wetting behavior of an ultrathin LIG synthesized from a fluorinated polyimide (F-PI) thin-film precursor using ultraviolet (UV) laser irradiation. Systematic variations in laser exposure induced morphologic transitions from hierarchical porous networks to compact planar structures, accompanied by changes in the chemical composition, including fluorine depletion and oxygen incorporation. These combined effects result in a broad range of wetting behaviors, including superhydrophobicity and hydrophilicity. Remarkably, LIG produced under single irradiation exhibited a rose-petal-like wetting state characterized by a high contact angle and strong droplet adhesion, a phenomenon not previously reported in LIG systems. This work elucidates the interplay between laser-induced nanostructuring and surface chemistry in governing wetting behavior and establishes a controllable strategy for fabricating functional carbon surfaces for applications in microfluidics, selective adhesion, and water-repellent coating technologies.

激光诱导石墨烯(LIG)由于其可扩展性和可调的表面特性而成为一种很有前途的碳纳米材料平台。尽管其电学和结构特性已被广泛探索,但表面能的精确调制仍然具有挑战性,特别是在超薄结构中。在这项研究中,我们研究了用紫外(UV)激光照射由氟化聚酰亚胺(F-PI)薄膜前驱体合成的超薄LIG的润湿行为。激光照射的系统变化诱导了从分层多孔网络到紧凑平面结构的形态转变,伴随着化学成分的变化,包括氟消耗和氧掺入。这些综合作用导致了广泛的润湿行为,包括超疏水性和亲水性。值得注意的是,在单次照射下产生的LIG表现出玫瑰花瓣般的湿润状态,具有高接触角和强液滴粘附性,这是以前在LIG系统中未报道的现象。这项工作阐明了激光诱导的纳米结构和表面化学在控制润湿行为方面的相互作用,并建立了一种可控制的策略,用于制造用于微流体、选择性粘附和防水涂层技术的功能碳表面。
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引用次数: 0
Interface-driven energy filtering effect and phonon scattering in n-type Ag2Se/polyaniline nanocomposites for enhanced thermoelectric performance 界面驱动的n型Ag2Se/聚苯胺纳米复合材料的能量滤波效应和声子散射增强热电性能
IF 5.8 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-07-24 DOI: 10.1007/s42823-025-00943-1
R. Santhosh, R. Abinaya, S. Harish, J. Archana, S. Ponnusamy, H. Ikeda, M. Navaneethan

The mixed-ion electron conductor, Ag₂Se, has shown strong potential as a thermoelectric material operating near room temperature. In this study, we demonstrate that the incorporation of polyaniline (PANI) into Ag₂Se forms Ag₂Se/PANI nanocomposites with significantly enhanced thermoelectric performances. Ag₂Se was synthesized using a hydrothermal method followed by hot pressing to obtain dense composite pellets. The novelty of this work lies in the systematic tuning of the PANI content and its dual role in enhancing electrical transport while suppressing lattice thermal conductivity. Microstructural analysis reveals that PANI-induced defects, such as dislocations and point defects, effectively scatter phonons at multiple scales, resulting in a remarkably low lattice thermal conductivity (κₗ ≈ 0.08 Wm⁻1 K⁻1) at 393 K. Simultaneously, PANI improves carrier mobility by modifying the Coulomb potential at grain boundaries, reducing interfacial energy barriers. These effects lead to an improved power factor of 2028 μWm⁻1 K⁻2 and a peak figure of merit (zT ≈ 0.67) at 393 K for the 0.5 wt% PANI sample. This study introduces a novel polymer-assisted interface engineering approach to improve the thermoelectric performance of Ag₂Se-based materials.

混合离子电子导体Ag₂Se作为一种接近室温的热电材料表现出了很强的潜力。在这项研究中,我们证明了将聚苯胺(PANI)掺入Ag₂Se中可以形成具有显著增强热电性能的Ag₂Se/PANI纳米复合材料。采用水热法合成Ag₂Se,然后热压得到致密的复合球团。这项工作的新颖之处在于系统地调整聚苯胺含量及其在增强电输运和抑制晶格导热性方面的双重作用。微观结构分析表明,聚苯胺引起的缺陷,如位错和点缺陷,有效地在多个尺度上散射声子,导致在393 K时晶格导热系数非常低(κₗ≈0.08 Wm⁻1 K⁻1)。同时,聚苯胺通过改变晶界处的库仑势,降低界面能垒,提高载流子迁移率。这些影响导致功率因子提高到2028 μWm - 1 K - 2, 0.5 wt% PANI样品在393 K处的峰值值(zT≈0.67)。本研究介绍了一种新的聚合物辅助界面工程方法来改善Ag₂基材料的热电性能。
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引用次数: 0
Advances in data-driven integrated design synthesis optimization and prediction of carbon nanotube 碳纳米管数据驱动集成设计、合成、优化与预测研究进展
IF 5.8 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-07-22 DOI: 10.1007/s42823-025-00952-0
Qiutong Li, Qi Jin, Chenyu Gao, Xijun Zhang, Xinyue Zhao, Yan He, Dianming Chu, Wenjuan Bai

Carbon nanotube (CNT) has promising applications in several fields due to their excellent thermal, electrical, mechanical, and biocompatible properties. However, the complexity of its structure leads to the problems of computationally intensive and inefficient synthetic characterization optimization and prediction by traditional research methods, which seriously restricts the development process. Machine learning (ML), as an emerging technology, has been widely used in CNT research due to its ability to reduce computational cost, shorten the development cycle, and improve the accuracy. ML not only optimizes the synthetic control parameters for precise structural control, but also combines various imaging and spectroscopic techniques to significantly improve the accuracy and efficiency of characterization. In addition, ML helps to improve the performance of CNT devices at the optimization and prediction levels, and achieve accurate performance prediction. However, ML in CNT research still faces challenges such as algorithmic processing of complex data situations, insufficient space for algorithmic combined optimization, and lack of model interpretability. Future research can focus on developing more efficient ML algorithms and unified standardized databases, exploring the deep integration of different algorithms, further improving the performance of ML in CNT research, and promoting its application in more fields.

碳纳米管(CNT)由于其优异的热学、电学、力学和生物相容性,在许多领域有着广阔的应用前景。但其结构的复杂性导致传统研究方法存在计算量大、效率低的合成表征优化与预测问题,严重制约了其发展进程。机器学习(ML)作为一种新兴的技术,由于其能够降低计算成本、缩短开发周期、提高准确性,在碳纳米管研究中得到了广泛的应用。ML不仅优化了合成控制参数以实现精确的结构控制,而且结合了各种成像和光谱技术,显著提高了表征的准确性和效率。此外,机器学习有助于在优化和预测层面提高碳纳米管器件的性能,实现准确的性能预测。然而,碳纳米管研究中的ML仍然面临着复杂数据情况的算法处理、算法组合优化空间不足、模型可解释性不足等挑战。未来的研究可以着眼于开发更高效的ML算法和统一的标准化数据库,探索不同算法的深度融合,进一步提高ML在碳纳米管研究中的性能,促进其在更多领域的应用。
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引用次数: 0
期刊
Carbon Letters
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