IF 11.6 2区材料科学

Carbon Pub Date : 2025-09-12 DOI: 10.1016/j.carbon.2025.120833

Yudong Wang , Kanglin Chen , Yaning Ou , Wenxin Liao , Yizhong Liu , Jiaojun Wei , Qiuye Jin , Zhaomin Tang

{"title":"A TME-responsive nanocatalytic platform for synergistically enhanced chemodynamic therapy through calcium overload for precision cancer treatment","authors":"Yudong Wang , Kanglin Chen , Yaning Ou , Wenxin Liao , Yizhong Liu , Jiaojun Wei , Qiuye Jin , Zhaomin Tang","doi":"10.1016/j.carbon.2025.120833","DOIUrl":"10.1016/j.carbon.2025.120833","url":null,"abstract":"<div><div>In this study, we successfully developed an atomically dispersed mesoporous hollow copper single-atom catalyst (Cu-SAC). This innovative catalyst was further enhanced by the synchronous loading of calcium peroxide (CaO<sub>2</sub>) and surface coating with hyaluronic acid (HA), which were designed to elevate the intratumoral concentration of hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) and introduce calcium ions (Ca<sup>2+</sup>). Under the acidic tumor microenvironment (TME), CaO<sub>2</sub> responded by releasing Ca<sup>2+</sup> and generating H<sub>2</sub>O<sub>2</sub> in situ. Simultaneously, Cu-SAC exhibited Fenton-like reaction activity in the presence of H<sub>2</sub>O<sub>2</sub>, efficiently catalyzing the generation of hydroxyl radicals (‧OH). The generated ‧OH induced the cellular oxidative damage and led to depolarization of the mitochondrial membrane potential. Subsequently, the released Ca<sup>2+</sup> was induced into the mitochondria, inducing Ca<sup>2+</sup> overload. The synergistic effect of Cu-SAC mediated chemodynamic therapy (CDT) and CaO<sub>2</sub> supplied Ca<sup>2+</sup> significantly amplified the oxidative stress triggered by intracellular Ca<sup>2+</sup> overload, resulting in a more effective tumor cell killing effect. This nanocatalytic platform is expected to provide a novel strategy for the active synergistic treatment of tumors.</div></div>","PeriodicalId":262,"journal":{"name":"Carbon","volume":"245 ","pages":"Article 120833"},"PeriodicalIF":11.6,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145099528","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

An electronic view on dislocation nucleation in diamond 金刚石中位错成核的电子观点

IF 11.6 2区材料科学

Carbon Pub Date : 2025-09-11 DOI: 10.1016/j.carbon.2025.120834

Liangliang Chen , Yu Duan , Shukuan Guo , Yixin Tao , Zhengping Su , Yeqiang Bu , Hongtao Wang

{"title":"An electronic view on dislocation nucleation in diamond","authors":"Liangliang Chen , Yu Duan , Shukuan Guo , Yixin Tao , Zhengping Su , Yeqiang Bu , Hongtao Wang","doi":"10.1016/j.carbon.2025.120834","DOIUrl":"10.1016/j.carbon.2025.120834","url":null,"abstract":"<div><div>Plastic deformation in crystals is governed by the nucleation and motion of dislocations, for which generalized stacking fault energy (GSFE) provides an effective energetic nucleation criterion in metals. However, in superhard covalent crystals such as diamond, the high critical elastic strain causes the lattice configuration at plastic initiation to deviate significantly from equilibrium, rendering the lattice model used in GSFE calculations uncertain and thereby limiting the applicability of traditional GSFE criteria. Here, by analyzing the evolution of atomic configurations and their associated electronic distributions during dislocation glide, we show that local metallization at the dislocation core, manifested by the emergence of transferrable conduction electrons, is a prerequisite for dislocation glide in diamond. We identify a critical bandgap of approximately 1.12 eV in the diamond lattice, below which a dislocation core region with intrinsic elastic strain field may undergo local metallization. This bandgap threshold, reached prior to lattice instability, serves as a generalizable indicator of the brittle-to-ductile transition in covalent materials under arbitrary stress states, overcoming the limitations of traditional GSFE-based criteria.</div></div>","PeriodicalId":262,"journal":{"name":"Carbon","volume":"245 ","pages":"Article 120834"},"PeriodicalIF":11.6,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145099524","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

External radiative source assisted growth of highly aligned single-walled carbon nanotube array 外辐射源辅助高排列单壁碳纳米管阵列的生长

IF 11.6 2区材料科学

Carbon Pub Date : 2025-09-11 DOI: 10.1016/j.carbon.2025.120822

Huan Li , Xinran Zhang , Guanghui Wang , Xuerong Song , Zhongsu Wang , Jiajia Ning , Daren Xu , Xiao Wang , Feng Ding , Qiuchen Zhao

{"title":"External radiative source assisted growth of highly aligned single-walled carbon nanotube array","authors":"Huan Li , Xinran Zhang , Guanghui Wang , Xuerong Song , Zhongsu Wang , Jiajia Ning , Daren Xu , Xiao Wang , Feng Ding , Qiuchen Zhao","doi":"10.1016/j.carbon.2025.120822","DOIUrl":"10.1016/j.carbon.2025.120822","url":null,"abstract":"<div><div>Direct growth of single-walled carbon nanotubes (SWNTs) array based on catalyst design is one of the important strategies towards SWNT-based electronic applications, yet facing a fundamental thermodynamic conflict: high temperatures prefer chirality purity but disrupt lattice-aligned growth by amplifying thermophoretic forces (<em>F</em><sub>th</sub>). Here, we resolved this paradox by decoupling catalytic growth and orientation processes through spatially engineered temperature gradients. An external thermal radiation field is introduced to suppress <em>F</em><sub>th</sub> at the catalyst-substrate interface while preserving high-temperature catalytic activity, achieving a lattice orientation and up to tenfold density increasing under conventional non-orientated temperature. Furthermore, experimental and computational simulations quantitively described the transition between lattice orientation and gas flow orientation when temperature increases, and deeply expounded the orientation mechanism with external thermal radiation from the microscopic perspective. This strategy demonstrates the universality across catalysts (quantum dots, Fe and Cu), thus enabling the co-realization of chirality-specific and high-density SWNT arrays, promoting carbon-based electronics toward practical applications.</div></div>","PeriodicalId":262,"journal":{"name":"Carbon","volume":"245 ","pages":"Article 120822"},"PeriodicalIF":11.6,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145099523","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Processing-driven mechanical performance of discontinuous carbon fibre-reinforced composites 加工驱动的非连续碳纤维增强复合材料力学性能

IF 11.6 2区材料科学

Carbon Pub Date : 2025-09-11 DOI: 10.1016/j.carbon.2025.120827

Haksung Lee , Man Kwon Choi , Byung-Joo Kim , Young Chul Choi

{"title":"Processing-driven mechanical performance of discontinuous carbon fibre-reinforced composites","authors":"Haksung Lee , Man Kwon Choi , Byung-Joo Kim , Young Chul Choi","doi":"10.1016/j.carbon.2025.120827","DOIUrl":"10.1016/j.carbon.2025.120827","url":null,"abstract":"<div><div>The mechanical performance of discontinuous carbon fiber-reinforced polymers (DFRPs) is significantly influenced by material selection and changes in fiber morphology resulting from processing. This study evaluates four fabrication techniques: injection molding, long fiber thermoplastics (LFT), sheet molding compounds (SMC), and additive manufacturing (AM). The investigation examines how these techniques affect fiber alignment, aspect ratio, and volume fraction and how these factors influence tensile strength, stiffness, and other mechanical properties. LFT and SMC exhibit enhanced tensile properties due to their ability to preserve fiber length and maintain quasi-aligned orientation during processing. Injection molding and AM, on the other hand, have significantly limited load transfer efficiency due to fiber attrition, random alignment, and weak interfacial bonding. Using micromechanical models, such as the rule of mixtures and orientation tensor-based frameworks, provides more insight into the differences in microstructure caused by the processes. Beyond mechanical behavior, this study explores trends in recyclability and sustainability. The study reveals that thermoplastic-based processes (LFT and injection molding) offer notable advantages in terms of energy consumption and closed-loop material reuse compared to thermoset-based systems, such as SMC. Each technique is linked to lightweight, impact-resistant, or high-throughput composite manufacturing. These techniques are presented in application-specific process recommendations. Finally, the key limitations of DFRPs, including limited modulus and fatigue vulnerability, are highlighted. Future research directions focused on hybrid reinforcement strategies and durability in harsh environments are also proposed. Overall, the findings provide comprehensive guidance on tailoring discontinuous CFRP systems to meet the evolving demands of high-performance, sustainable composite applications.</div></div>","PeriodicalId":262,"journal":{"name":"Carbon","volume":"245 ","pages":"Article 120827"},"PeriodicalIF":11.6,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145060429","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Electrospinning for electromagnetic interference shielding: Principles, challenges, and future directions 静电纺丝用于电磁干扰屏蔽：原理、挑战和未来方向

IF 11.6 2区材料科学

Carbon Pub Date : 2025-09-10 DOI: 10.1016/j.carbon.2025.120831

Navid Keshmiri , Parisa Najmi , Abbas S. Milani , Mohammad Arjmand

{"title":"Electrospinning for electromagnetic interference shielding: Principles, challenges, and future directions","authors":"Navid Keshmiri , Parisa Najmi , Abbas S. Milani , Mohammad Arjmand","doi":"10.1016/j.carbon.2025.120831","DOIUrl":"10.1016/j.carbon.2025.120831","url":null,"abstract":"<div><div>Electrospinning is an electrohydrodynamic process in which a liquid droplet is electrified to generate a charged jet that undergoes stretching and elongation to form fibers. This technique is widely recognized for fabricating nonwoven wearable textiles, with promising applications in electromagnetic interference (EMI) shielding for healthcare and military systems. Effective EMI shields depend largely on electrical conductivity; however, electrospinning faces significant challenges when processing conductive materials due to excessive charge dissipation, jet instability, and unintended electrospraying instead of fiber formation. Here, we critically examine these challenges to elucidate the relationship between electrical conductivity and electrospinnability, identifying key bottlenecks in the field. Additionally, the recent progress in transitioning from reflection-based electrospun EMI shields to absorption-dominant ones is discussed in detail. Finally, we outline future directions that include strategies for absorption-dominant shielding, highlight the synergistic potential of electrospinning and electrospraying for scalable production, and advocate for the integration of machine learning tools to accelerate the design of next-generation EMI shielding materials. This review aims to bridge the gap between fundamental research and real-world applications, addressing critical challenges and paving the way toward high-performance, wearable EMI shielding technologies.</div></div>","PeriodicalId":262,"journal":{"name":"Carbon","volume":"245 ","pages":"Article 120831"},"PeriodicalIF":11.6,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145045969","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Designing pH-Functionalized carbon dots as white light emitting phosphor for cool white LED application 设计用于冷白光LED的ph功能化碳点白光发光荧光粉

IF 11.6 2区材料科学

Carbon Pub Date : 2025-09-10 DOI: 10.1016/j.carbon.2025.120826

Sutha Rahupathy, Monisha Sivanandhan, Amutha Parasuraman

{"title":"Designing pH-Functionalized carbon dots as white light emitting phosphor for cool white LED application","authors":"Sutha Rahupathy, Monisha Sivanandhan, Amutha Parasuraman","doi":"10.1016/j.carbon.2025.120826","DOIUrl":"10.1016/j.carbon.2025.120826","url":null,"abstract":"<div><div>Carbon Dots (CDs) are zero dimensional carbon rich nanoparticles that exhibit promising photoluminescent properties due to quantum confinement effect. Furthermore, their ease of synthesis, reduced toxicity and customizable properties have gained considerable focus. In the present era of advanced lighting technology, achieving single white light emitting CDs which could serve as white phosphors with high efficiency is essential due to their cost-effective application in Light Emitting Diodes (LEDs). Though various rare earth doped phosphors produce white light emission; their tedious synthetic process, high cost, potential toxicity imposes challenges in real world applications. In response to this, we explored reproducible one-step hydrothermal synthesis of white light emitting CDs from <span>l</span>-leucine and <span>l</span>-tryptophan under pH assisted reaction conditions. They exhibited wide photoluminescence emission spectrum reaching maximum intensity at 450 nm. These CDs were embedded into polyvinyl alcohol (PVA) matrix to attain colour conversion phosphor layer, which prevents aggregation induced self-quenching and were subsequently incorporated onto 365 nm UV LED. The fabricated CDs film was stable up to 300 days under room temperature storage conditions with a longer decay time of 18.6 ns. Intriguingly, a high Colour Rendering Index (CRI) of 86 % was achieved, exhibiting cool white light emission characterized by chromaticity coordinates of (0.302, 0.318) and Correlated Colour Temperature (CCT) of 7236 K positioned near the Planckian locus curve. These results highlight the potential of the synthesized CDs as efficient, metal-free phosphors for the development of cost effective cool white LEDs.</div></div>","PeriodicalId":262,"journal":{"name":"Carbon","volume":"245 ","pages":"Article 120826"},"PeriodicalIF":11.6,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145045907","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Positron annihilation lifetime spectroscopy for ultramicroporosimetry of porous carbons 多孔碳的超微孔测定正电子湮灭寿命谱

IF 11.6 2区材料科学

Carbon Pub Date : 2025-09-10 DOI: 10.1016/j.carbon.2025.120825

Kei Kubo , Hayato Otsuka , Daisuke Saeki , Ayumi Furuse , Yoshiyuki Hattori , Takuya Hayashi , Piotr Kowalczyk , Toshio Sakai , Katsumi Kaneko

{"title":"Positron annihilation lifetime spectroscopy for ultramicroporosimetry of porous carbons","authors":"Kei Kubo , Hayato Otsuka , Daisuke Saeki , Ayumi Furuse , Yoshiyuki Hattori , Takuya Hayashi , Piotr Kowalczyk , Toshio Sakai , Katsumi Kaneko","doi":"10.1016/j.carbon.2025.120825","DOIUrl":"10.1016/j.carbon.2025.120825","url":null,"abstract":"<div><div>Positron annihilation lifetime spectroscopy (PALS) has been used to analyse ultramicropore structures in silica-based porous materials. Energy-related applications increasingly demand improved characterisation of ultramicropore structures in carbon materials. However, PALS porosimetry has not been well established for porous carbons. Therefore, this study aimed to apply the PALS-aided ultramicroporosimetry to carbon materials. We employed single-walled carbon nanotube (SWCNT) bundles with tube diameters of 1.5 and 2.0 nm to determine the key parameter <em>δ</em> which reflects the collision between positronium and the carbon electron clouds and is an essential factor for analysing PALS data related to carbon materials. The SWCNT bundles featured two types of pores—internal tube spaces and interstitial subnanoscale spaces—which were characterised using X-ray diffraction. PALS measurements of these SWCNT samples yielded the parameter <em>δ</em> for carbon materials. The obtained <em>δ</em> was 0.23 nm. Using this value, we performed PALS analysis of reduced graphene oxide, which revealed the presence of pores approximately 0.13 nm wide. These pores are attributed to the staggered structure of GO prior to thermal reduction.</div></div>","PeriodicalId":262,"journal":{"name":"Carbon","volume":"245 ","pages":"Article 120825"},"PeriodicalIF":11.6,"publicationDate":"2025-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145045906","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Highly efficient and cost-effective carbon paper electrode for inverted perovskite solar cells 倒置钙钛矿太阳能电池用高效、经济的碳纸电极

IF 11.6 2区材料科学

Carbon Pub Date : 2025-09-09 DOI: 10.1016/j.carbon.2025.120830

Joana Príncipe , Vera C. M. Duarte , Ana M. V. M. Pereira , Adélio Mendes , Luísa Andrade

{"title":"Highly efficient and cost-effective carbon paper electrode for inverted perovskite solar cells","authors":"Joana Príncipe , Vera C. M. Duarte , Ana M. V. M. Pereira , Adélio Mendes , Luísa Andrade","doi":"10.1016/j.carbon.2025.120830","DOIUrl":"10.1016/j.carbon.2025.120830","url":null,"abstract":"<div><div>Perovskite solar cells (PSCs) are among the most promising photovoltaic technologies, with their power conversion efficiency (PCE) rising from 3.8 % in 2009 to 26.95 % in 2025. However, their commercialization remains hindered by challenges such as the high cost of noble metal back-contacts. Finding affordable alternatives for back-contacts is therefore a key research focus. Carbon-based materials have attracted growing interest due to their abundance, low cost, chemical stability, electronic conductivity, sustainability, and suitability for large-scale deposition. In this work, the effective use of carbon paper (CP) as a back-contact in inverted PSCs was demonstrated. To facilitate charge extraction, a thin metal interlayer, consisting of <em>ca</em>. 7 nm of gold (Au) or silver (Ag), was introduced between the electron transport layer and the CP. Five different CPs were tested, yielding PCEs of 6.35 % and 8.65 % for devices incorporating 7 nm Au + CP and 7 nm Ag + CP, respectively. To further enhance charge extraction, the impact of a thermally evaporated molybdenum trioxide-doped gold (7 nm Au:MoO<sub>3</sub>) was explored, resulting in enhanced interface quality and reduced recombination losses. A champion device with a PCE of 15.6 % was achieved, making one of the highest reported values for carbon-based inverted PSCs.</div></div>","PeriodicalId":262,"journal":{"name":"Carbon","volume":"245 ","pages":"Article 120830"},"PeriodicalIF":11.6,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145099585","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Multifunctional electromagnetic wave absorbing materials: research progress from component structural design to intelligent integration 多功能电磁波吸波材料：从构件结构设计到智能集成的研究进展

IF 11.6 2区材料科学

Carbon Pub Date : 2025-09-08 DOI: 10.1016/j.carbon.2025.120818

Jun Wang , Xiaoming Guo , Di Lan , Yue Wang , Haibo Huang , Chuankun Zhang , Guanglei Wu , Siyuan Zhang , Zirui Jia

{"title":"Multifunctional electromagnetic wave absorbing materials: research progress from component structural design to intelligent integration","authors":"Jun Wang , Xiaoming Guo , Di Lan , Yue Wang , Haibo Huang , Chuankun Zhang , Guanglei Wu , Siyuan Zhang , Zirui Jia","doi":"10.1016/j.carbon.2025.120818","DOIUrl":"10.1016/j.carbon.2025.120818","url":null,"abstract":"<div><div>Amid the rapid development of 5G/6G communications, intelligent stealth technology, and flexible electronics, electromagnetic wave absorbing materials (EMWAMs) are advancing from the optimization of a single performance aspect toward multifunctional integration. The monofunctional nature of conventional absorbing materials has proven inadequate to satisfy the requirements of complex application scenarios. These scenarios involve intricate electromagnetic environments and harsh operational conditions, where multifunctional capabilities are increasingly necessary. Moreover, the research on multifunctional integrated microwave absorbing materials is relatively scattered, lacking a systematic regulatory framework from the atomic scale to the macroscopic structure. Starting from the “functional integration dimension,” this review systematically organizes and constructs an analytical framework based on the trinity of “material component optimization, cross-scale structural design, and multifunctional integration.” On this basis, this review systematically explores the design principles and performance synergy mechanisms of six major categories of multifunctional electromagnetic wave absorbing materials (MEMWAMs): high mechanical properties, thermal stability, chemical stability, multispectral compatibility, flexible biocompatibility, and intelligent response. The review aims to summarize existing design principles and envision the development path of “on-demand design” for the next generation of MEMWAMs, characterized by synergistic dielectric/magnetic loss, enhanced environmental robustness, and integrated intelligent response.</div></div>","PeriodicalId":262,"journal":{"name":"Carbon","volume":"245 ","pages":"Article 120818"},"PeriodicalIF":11.6,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145045968","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Branched polyethylenimine fragmentation enabling efficient nitrogen doping and healing of defective graphene 支化聚乙烯亚胺碎片化实现高效氮掺杂和缺陷石墨烯愈合

IF 11.6 2区材料科学

Carbon Pub Date : 2025-09-08 DOI: 10.1016/j.carbon.2025.120736

Claire Senger , J.P.D. de Matos , Owen Drescher , Zhuze Shao , Matthew D. Mellor , Casey Burdett , Toshiaki Yoshioka , Shogo Kumagai , André R. Muniz , Reika Katsumata

{"title":"Branched polyethylenimine fragmentation enabling efficient nitrogen doping and healing of defective graphene","authors":"Claire Senger , J.P.D. de Matos , Owen Drescher , Zhuze Shao , Matthew D. Mellor , Casey Burdett , Toshiaki Yoshioka , Shogo Kumagai , André R. Muniz , Reika Katsumata","doi":"10.1016/j.carbon.2025.120736","DOIUrl":"10.1016/j.carbon.2025.120736","url":null,"abstract":"<div><div>An emerging post-synthesis doping/healing method for defective graphene layers by rapid thermal degradation of a polymer coating is a promising approach to mitigate defects introduced at nearly every step of manufacturing workflows. However, the thermal fragmentation process of the dopant-containing polymers and their interactions with defects are still unknown, hindering optimal use and application to other dopants and two-dimensional (2D) materials beyond graphene. To this end, this work employs a tandem approach of pyrolysis-gas chromatography/mass spectroscopy (Py-GC/MS) and reactive molecular dynamics (RMD) simulations for a model system composed of nitrogen-doping branched polyethylenimine (PEI) interfacing with graphene-like structures. The analysis of pure PEI degradation is used to compare and validate the approaches, where the same trends in fragment size distribution are observed. For Py-GC/MS, PEI and reduced graphene oxide (rGO) particles are used as a representative system, identifying 13 fragments that change significantly in abundance with rGO loading. Further insight into the pathway of degradation and doping is revealed via RMD simulations, where the degradation is found to begin at or near the large branches in the PEI structure. Overall, small fragments under 100 Da, such as nitrile derivatives, are identified as likely responsible for defect doping and healing after a sequence of reactions at the gas-graphene interface. The understanding of degradation and doping pathways in this model system will certainly lead to further optimization of the process and its expansion to additional polymers and 2D materials.</div></div>","PeriodicalId":262,"journal":{"name":"Carbon","volume":"246 ","pages":"Article 120736"},"PeriodicalIF":11.6,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145218284","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

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