Carbon Letters最新文献

{"title":"Prediction of mechanical properties in graphene-reinforced aluminum nanocomposites using machine learning and molecular dynamics simulations","authors":"Prasanna Venkatesh Ramdas,&nbsp;Venkatesan Ganapathy,&nbsp;Anand Palanivel,&nbsp;Shunmugasundaram Manoharan","doi":"10.1007/s42823-026-01040-7","DOIUrl":"10.1007/s42823-026-01040-7","url":null,"abstract":"<div>\u0000 \u0000 <p>Graphene-reinforced aluminum (Gr/Al) nanocomposites offer exceptional mechanical properties for aerospace, automotive, and electronics applications. Precise estimation of their characteristics, including ultimate tensile strength (UTS) and Young’s modulus (YM), remains challenging due to complex atomic interactions and computational limitations of traditional methods. This study proposes a novel machine learning framework combining Molecular Dynamics (MD) simulations, Adaptive Fast Desensitized Kalman Filter (AFDKF), Diffusion Variational Graph Neural Network (DV-GNN), and Arctic Tern Optimizer (ATO) for efficient and accurate mechanical property prediction. Important variables such as graphene alignment, volume fraction, chirality, and ambient temperature are captured by the method. DV-GNN achieves a prediction accuracy of 99.9%, significantly outperforming existing ML models. The framework also demonstrates low error rates, fast computation, and scalability, providing a robust computational tool for intelligent design of high-strength, lightweight Gr/Al nanocomposites. </p>\u0000 </div>","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"36 2","pages":"937 - 956"},"PeriodicalIF":5.8,"publicationDate":"2026-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752423","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tribological behavior and mechanism of polyamide particles in urea-based grease at different temperatures","authors":"Chuan Li,&nbsp;Wenqi Zhang,&nbsp;Zhilin Fang,&nbsp;Shike Chang,&nbsp;Xiaodong Wang,&nbsp;Xu Tan,&nbsp;Yijun Chen,&nbsp;Enzhu Hu,&nbsp;Xiaoyong Xu","doi":"10.1007/s42823-026-01042-5","DOIUrl":"10.1007/s42823-026-01042-5","url":null,"abstract":"<div><p>To develop high-performance lubricants, this study investigates polyamide 6 (PA6) as a solid additive in urea-based greases (UBGs). The tribological performance of UBGs containing varying concentrations of PA6 was evaluated at different temperatures using an HSR-2 M high-speed reciprocating friction and wear tester. The structure and composition of PA6 and the worn surfaces were characterized using scanning electron microscopy, thermo-gravimetric analysis, Fourier transform infrared spectroscopy, 3D laser scanning microscopy, X-ray photoelectron spectroscopy, and focused ion beam techniques to elucidate the underlying friction and wear mechanisms. The results demonstrate that PA6 significantly enhances the lubricating performance of UBGs. At an optimal concentration of 0.2 wt% PA6 and 40 °C, the friction coefficient was reduced by 7.6%, and the wear volume decreased by 50.9% compared to base UBG. This improvement is attributed to the formation of a tribofilm on the steel surface, driven by interactions between PA6 microspheres and the grease matrix. Upon contact, PA6 adsorbs and deposits on the steel surface, promoting the formation of a continuous lubricating film. This film enhances the film-forming capacity of the base grease, minimizes direct ball–disk contact, and effectively reduces friction and wear.</p></div>","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"36 2","pages":"957 - 970"},"PeriodicalIF":5.8,"publicationDate":"2026-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752426","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Facile and scalable thick electrode using bifunctional carbon nanotube film","authors":"Nilüfer Çakmakçı Lee,&nbsp;Myunggyu Shin,&nbsp;Junki Bang,&nbsp;Hyemin Kim,&nbsp;Ji In Choi,&nbsp;Gayoung Kim,&nbsp;Byoung-Sun Lee,&nbsp;Youngjin Jeong","doi":"10.1007/s42823-026-01044-3","DOIUrl":"10.1007/s42823-026-01044-3","url":null,"abstract":"<div>\u0000 \u0000 <p>The growing demand for high-capacity lithium-ion batteries, driven by the development of compact portable devices and long-range electric vehicles, necessitates significant advancements in electrode design. Increasing electrode thickness is among the most effective strategies for enhancing performance and reducing manufacturing costs in lithium-ion batteries. However, thick electrodes are often prone to delamination, crack formation, and elevated internal resistance resulting from extended lithium-ion diffusion pathways. In this work, a simple and efficient method for fabricating thick electrodes is demonstrated by using lithium iron phosphate slurry–coated carbon nanotube (CNT) films, yielding bifunctional CNT-based thick electrodes (BCTE) that enable simultaneous electron transport through the interconnected CNT network and Li⁺ percolation through electrolyte-filled porous pathways formed by the CNT-film architecture. Electrochemical measurements reveal that the CNT film–based electrodes exhibit a lithium-ion diffusion coefficient nearly twice that of conventional thick electrodes even when normalized to total carbon content, confirming that the performance enhancement originates from the CNT architecture rather than from carbon loading differences. The specific capacity of 148.3 mAh g⁻¹ is maintained under a substantial active material mass loading (135 mg cm⁻²), with superior rate capability and stable Coulombic efficiency at a current density of 1 mA cm⁻². These findings underscore the potential of this facile fabrication approach for enabling advanced thick electrode architectures, supporting the broader adoption of high performance lithium-ion batteries.</p>\u0000 </div>","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"36 2","pages":"983 - 995"},"PeriodicalIF":5.8,"publicationDate":"2026-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752543","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Progress in the application of carbon nanotubes for wastewater treatment: a bibliometric analysis","authors":"Adarsh Kumar Arya,&nbsp;Ashish Kapoor,&nbsp;Diego Augusto de Jesus Pacheco,&nbsp;Murali Pujari,&nbsp;Bhalchandra Shingan,&nbsp;P. Senthil Kumar,&nbsp;Gayathri Rangasamy","doi":"10.1007/s42823-026-01029-2","DOIUrl":"10.1007/s42823-026-01029-2","url":null,"abstract":"<div><p>The global decline in access to safe and potable water is a growing social concern with increasing relevance projected to escalate in the coming decades. Different techniques for purifying water have been developed and tested to address this issue. More recently, there has been a technological trend in adopting carbon nanotube (CNT) technology for wastewater treatment. However, due to the immature state of research in the area, several aspects remain. In response to these challenges, this study conducts a bibliometric analysis to assess the current knowledge regarding the utilization and advancement of CNTs in wastewater treatment. The study utilised various software applications to map the relevant literature published between 2013 and 2023, encompassing 699 scholarly articles that underwent content analysis. The findings revealed how the knowledge on the topic is organized, highlighting key collaboration patterns among authors, institutions, and journals. They also identified the most influential authors, providing valuable insights into the networks and dynamics that shape research progress in this area. The research findings also reveal the primary technological trends in utilizing CNTs for water treatment and the challenges that hinder their practical application. To guide advancements in this field, the article contributes to indicating future research avenues systematically organized into three critical categories: (i) investigations targeting the most frequently identified literature gaps, (ii) studies focusing on process optimization and operational efficiencies, and (iii) exploration of emerging technologies and evolving trends. This structured approach provides a clear roadmap for overcoming existing barriers and unlocking the full potential of CNTs in wastewater treatment applications. This article can serve as a reference for subsequent technological investigations.</p></div>","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"36 2","pages":"617 - 641"},"PeriodicalIF":5.8,"publicationDate":"2026-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752545","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"MXene/silicone rubber decorated nylon multifunctional protective material with excellent waterproofing, electromagnetic shielding, bulletproof and photothermal conversion performance","authors":"Jing Chen,&nbsp;Xinyu Yao,&nbsp;Xinming Yu,&nbsp;Zhenyi Liu,&nbsp;Hong Zhang","doi":"10.1007/s42823-025-01013-2","DOIUrl":"10.1007/s42823-025-01013-2","url":null,"abstract":"<div><p>Military tents are crucial for military operations. Existing military tents use insulating and photonically inert textiles, which cannot be used as electric or light-driven heaters, significantly restricting their application in high-altitude combat zones. Considering the simultaneous threats of rain, snow, electromagnetic radiation and bullet impact in the battlefield, a kind of multifunctional protective material is necessary for military tents. In this paper, a multifunctional material including MXene as the functional layer, nylon fabric as the base material, and room temperature vulcanized silicone rubber as the surface waterproof layer is developed. The results show that: Results show that the synergistic effect of MXene and silicone rubber modifies the surface roughness and surface energy of pure nylon fabric, increasing its hydrophobic contact angle from 38.3° to 105.3°. MXene can form continuous conductive networks on fabric surfaces at varying concentrations. The electromagnetic shielding effectiveness of MXene and silicone rubber modified nylon (MS-Nylon) in the X-band spectrum increases to 17.64 dB to 18.54 dB when the mass fraction of MXene reaches 18.87%. Concurrently, the fabric's photothermal performance was significantly enhanced. Comparing with Nylon without photothermal property, the surface temperature of MS-Nylon reached 42.29 °C after exposure to sunlight (illuminance of 88.5 × 10³ LUX). Following exposure to incandescent (200 W) and infrared (375 W) lamps, MS-Nylon temperatures reached 49.45 °C and 90.00 °C respectively. Notably, nylon's inherent mechanical and bulletproof properties remained nearly unchanged. This work provides valuable insights for the design of next generation multifunctional protective equipment.</p><h3>Graphic Abstract</h3><div><figure><div><div><picture><source><img></source></picture><span>The alternative text for this image may have been generated using AI.</span></div></div></figure></div></div>","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"36 2","pages":"739 - 751"},"PeriodicalIF":5.8,"publicationDate":"2026-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752420","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Characterization and kinetic analysis of acid leaching of low carbon fraction in coal gasification slag","authors":"Yu Li,&nbsp;Ruifeng Wang,&nbsp;Yifan Chai,&nbsp;Hui Liu,&nbsp;Zhanfeng Yang,&nbsp;Shengli An","doi":"10.1007/s42823-026-01037-2","DOIUrl":"10.1007/s42823-026-01037-2","url":null,"abstract":"<div>\u0000 \u0000 <p>Coal gasification slag (CGS), a byproduct of coal chemical processes, can be repurposed as functional materials through acid treatment to remove impurities such as Al, Ca, and Fe.This study investigates the acid-leaching behavior of these impurities by examining the slag’s mineralogical structure and elemental distribution. The process involved initial carbon-ash separation via physical sieving (0.85 mm), yielding a low-carbon slag (L-CS) with &lt; 3% carbon content and a 48.33% yield, characterized by dense, lamellar aluminosilicate glass with uniformly dispersed and encapsulated Ca and Fe. The L-CS was subjected to heat treatment at varying temperatures, followed by hydrochloric acid leaching. Results revealed that heat treatment broke and rearranged the original Si-O-Si(Al) bonds, partially converting [AlO4] structural units into more stable [AlO6] and leading to the sequential formation of magnetite and esseneite phases. This structural reorganization significantly reduced the leaching rates of Al, Ca, and Fe. Kinetic analysis demonstrated that the leaching of Fe and Ca was governed by a combination of internal diffusion and interfacial chemical reactions, whereas Al leaching was controlled solely by interfacial reactions. The Ca and Fe components were leached more readily than Al. Under optimized conditions (70 °C, 180 min, 8% HCl, liquid-to-solid ratio 8:1), the leaching rates reached 74.17% for Al, 90.01% for Ca, and 83.34% for Fe. The acid-leached residue primarily retained amorphous aluminosilicate phases with minor quartz, exhibiting a more ordered structure than the precursor. Morphologically, the original dense structure was disrupted, forming fractured surfaces composed of 40–60 nm nanospheres. The residue possessed a specific surface area of 101.44 m²/g and an average pore diameter of 5.734 nm. These findings indicate that the acid-leached CGS residue has significant potential for direct application as a mesoporous adsorbent material or for uses requiring enhanced reactivity.</p>\u0000 </div>","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"36 2","pages":"873 - 883"},"PeriodicalIF":5.8,"publicationDate":"2026-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752591","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Metal-functionalized BCN nanocages for Cl2, COCl2, H2S, and NH3 detection: a DFT study on sensing efficiency, humidity effects, and thermal stability","authors":"Unnati Jethawa,&nbsp;Ajay Chaudhari","doi":"10.1007/s42823-026-01038-1","DOIUrl":"10.1007/s42823-026-01038-1","url":null,"abstract":"<div><p>Sensing toxic gas molecules is crucial for environmental monitoring and human safety. In this spin-polarized DFT study, we introduce BCN nanocage, a hybrid analogue of C₂₀ nanocage, for sensing Cl₂, COCl₂, H₂S, and NH₃ gas molecules. BCN is functionalized with a series of metal adatoms (Li, Be, Al, Si, P, Sc, Ti, V, Mn, Fe, Ni, and Cu), chosen for their diverse electronic configurations and potential to interact strongly with the substrate. Among these, only the Li-, Al-, Sc-, Fe-, and Cu-decorated BCN complexes were found to be thermodynamically stable and energetically favourable. Sc exhibits the strongest binding with the nanocage, followed by Fe, Al, Li, and Cu, due to bond formation and significant charge transfer from adatoms to the nanocage. Among the studied candidates, BCNCu emerges as the most promising for Cl₂ sensing under dry conditions, exhibiting an adsorption energy of 0.66 eV, a recovery time of 0.02s, and a -37.16% band gap variation. Compared with previously reported nanocage-based sensors, BCNCu demonstrates a balanced combination of suitable adsorption energy, rapid recovery time, and appreciable sensitivity, highlighting its potential for efficient Cl₂ detection under dry conditions. However, its sensing performance is influenced by humidity, indicating that BCNCu operates more effectively under dry conditions than in humid atmospheres. AIMD simulations and vibrational spectra analysis confirm the thermal stability of the substrate at 400 K and its dynamical stability. This study advances the field by establishing BCNCu as a promising Cl₂ sensor while highlighting its limitations in humid environments, offering valuable insights for experimental fabrication and real-world applications.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture><span>The alternative text for this image may have been generated using AI.</span></div></div></figure></div></div>","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"36 2","pages":"885 - 905"},"PeriodicalIF":5.8,"publicationDate":"2026-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Band-gap engineering and giant anisotropic conduction in 2D carbon allotrope nanoribbons","authors":"Francenildo Baia Reis,&nbsp;Jordan Del Nero","doi":"10.1007/s42823-026-01036-3","DOIUrl":"10.1007/s42823-026-01036-3","url":null,"abstract":"<div><p>We investigate the electronic structure and quantum transport of OPG-Z carbon nanoribbons using first-principles density functional theory (DFT) and non-equilibrium Green’s function (NEGF) methods. We find that cutting the OPG-Z lattice along different directions produces ribbon families with dramatically different behavior. One ribbon (armchair-PO motif) is essentially metallic, whereas others are semiconducting with giant electronic anisotropy: band gaps range from ~ 0.07 to 0.53 eV depending on the edge motif. This leads to highly direction-dependent conduction, with the metallic ribbon exhibiting orders-of-magnitude higher low-bias conductance than the narrow-gap ribbons. Transport simulations show that semiconducting OPG-Z nanoribbons require threshold biases comparable to their bandgap (~ 0.1–0.5 V) before significant current flows, whereas the metallic ribbon conducts readily at zero bias. Analysis of structure–property trends reveals that subtle changes in the fused pentagon–octagon edge motifs tune the effective bandgap and carrier transport. These pronounced anisotropic transport properties combined with the robust stability of the carbon lattice suggest OPG-Z nanoribbons as promising building blocks for future nanoelectronic and directional transport devices, such as anisotropic field-effect transistors and current rectifiers.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture><span>The alternative text for this image may have been generated using AI.</span></div></div></figure></div></div>","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"36 2","pages":"855 - 872"},"PeriodicalIF":5.8,"publicationDate":"2026-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s42823-026-01036-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752424","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}

{"title":"Nitrogen-doped defect-induced dipolar polarisation in CNZF/NrGO/MWCNT nanocomposites for X & Ku-band microwave absorption","authors":"Pasupuleti Anil,&nbsp;B. Arun,&nbsp;Banothu Saidulu,&nbsp;K. C. James Raju,&nbsp;V. V. Ravi Kanth Kumar","doi":"10.1007/s42823-026-01039-0","DOIUrl":"10.1007/s42823-026-01039-0","url":null,"abstract":"<div>\u0000 \u0000 <p>Heteroatom nitrogen-doped defect engineering is considered an effective strategy for enhancing the microwave absorption performance of carbon-based hybrid materials. The focus of present work is to study the electromagnetic absorption properties of as-prepared Co_0.1Ni_0.4Zn_0.5Fe₂O₄/NrGO/MWCNT (CNZF/NrGO/MWCNT) nanocomposites that could be facilely modulated by changing the doping nitrogen contents to create the defect-induced polarisations which can be utilised as a promising candidates for microwave absorption materials (MAMs) for high-frequencies. Moreover, CNZF/NrGO/MWCNT nanocomposites are designed using a facile one-pot solvothermal method by varying nitrogen-doped content and configuration. It was found that the optimisation between pyrrolic-N and graphitic-N, rather than total nitrogen content unlike earlier reports, plays a decisive role in regulating the electron magnetic properties. The micromorphological analysis reveals the presence of interfacial defects within the as-prepared samples, which are beneficial for electromagnetic attenuation. The optimally nitrogen-doped CNZF/NrGO/MWCNT composite (S2), prepared using ethylenediamine (EDA=2 ml), exhibits the balanced dielectric magnetic loss behaviour and enhanced interfacial polarisation, exhibited superior microwave absorption performance, achieving a minimum reflection loss (RL_min) of -56.39 dB at 13.05 GHz with a thickness of 1.5 mm and a maximum effective absorption bandwidth (EAB_max) of 4.21 GHz in Ku band. Thus, this work provides a scalable and cost-effective method through defect engineering for designing an efficient MAMs for high-frequency applications.</p>\u0000 </div>","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"36 2","pages":"907 - 935"},"PeriodicalIF":5.8,"publicationDate":"2026-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752592","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Correction: Thermal conductivities of a needle-punched carbon/carbon composite with unbalanced structures","authors":"Jungmin Lee,&nbsp;Hyung Ik Lee,&nbsp;Jong Gyu Paik","doi":"10.1007/s42823-026-01033-6","DOIUrl":"10.1007/s42823-026-01033-6","url":null,"abstract":"","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"36 2","pages":"1085 - 1085"},"PeriodicalIF":5.8,"publicationDate":"2026-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752429","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}