Carbon Letters最新文献

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Bagasse-based porous flower-like MoS2/carbon composites for efficient microwave absorption 甘蔗渣基多孔花状MoS2/碳复合材料的高效微波吸收
IF 5.5 3区 材料科学
Carbon Letters Pub Date : 2024-12-09 DOI: 10.1007/s42823-024-00832-z
Yingxiu Zhang, Lihui Xu, Jiahao Wang, Hong Pan, Meiran Dou, Yi Teng, Xueqiang Fu, Zhangyong Liu, Xinzhe Huang, Meng Wang
{"title":"Bagasse-based porous flower-like MoS2/carbon composites for efficient microwave absorption","authors":"Yingxiu Zhang,&nbsp;Lihui Xu,&nbsp;Jiahao Wang,&nbsp;Hong Pan,&nbsp;Meiran Dou,&nbsp;Yi Teng,&nbsp;Xueqiang Fu,&nbsp;Zhangyong Liu,&nbsp;Xinzhe Huang,&nbsp;Meng Wang","doi":"10.1007/s42823-024-00832-z","DOIUrl":"10.1007/s42823-024-00832-z","url":null,"abstract":"<div><p>Biomass-derived carbon materials have attracted considerable attention in electromagnetic wave (EMW) absorption applications due to their advantages of low cost, light weight, and sustainability. Herein, bagasse-based porous carbon (BPC) was prepared by canonization and activation process from natural waste bagasse. The porous flower-like MoS<sub>2</sub>/BPC composites were successfully prepared for efficient microwave absorption via hydrothermal process by in-situ formation of flower-like MoS<sub>2</sub> into the porous structure of BPC. The effect of hydrothermal time and hydrothermal temperature on surface morphology, degree of graphitization, surface chemical composition and impedance matching of the prepared samples was investigated. Results demonstrated that when the hydrothermal temperature was 220 °C, and the hydrothermal time was 24 h, the obtained MoS<sub>2</sub>/BPC sample (named as MoS<sub>2</sub>/BPC-220 ℃) showed the minimum reflection loss value (RL) of − 41.6 dB at 8.96 GHz and exhibited effective microwave absorption bandwidth (EAB) of 4.32 GHz at a relatively thin thickness of 1.5 mm. This work provides a promising way to prepare novel biomass-derived porous carbon for strong broadband electromagnetic absorption.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"35 1","pages":"145 - 160"},"PeriodicalIF":5.5,"publicationDate":"2024-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143513392","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}
引用次数: 0
Correction: Carbon nanotubes as heterogeneous catalysts for the multicomponent reaction synthesis of heterocycles 更正:碳纳米管作为多组分反应合成杂环化合物的多相催化剂
IF 5.5 3区 材料科学
Carbon Letters Pub Date : 2024-12-09 DOI: 10.1007/s42823-024-00835-w
Ramin Javahershenas, Vadim A. Soloshonok, Karel D. Klika, Peter J. Jervis
{"title":"Correction: Carbon nanotubes as heterogeneous catalysts for the multicomponent reaction synthesis of heterocycles","authors":"Ramin Javahershenas,&nbsp;Vadim A. Soloshonok,&nbsp;Karel D. Klika,&nbsp;Peter J. Jervis","doi":"10.1007/s42823-024-00835-w","DOIUrl":"10.1007/s42823-024-00835-w","url":null,"abstract":"","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"35 1","pages":"385 - 385"},"PeriodicalIF":5.5,"publicationDate":"2024-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143513391","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}
引用次数: 0
Correction: Recent advances in activated carbon fibers for pollutant removal 更正:用于去除污染物的活性炭纤维的最新进展
IF 5.5 3区 材料科学
Carbon Letters Pub Date : 2024-11-26 DOI: 10.1007/s42823-024-00831-0
Jong-Hyun Joo, Seong-Hwang Kim, Jee Hoon Kim, Hyun-Ju Kang, Jeong Hoon Lee, Hye-Ji Jeon, Yeon Hee Jang, Jong-Hoon Lee, Seul-Yi Lee, Soo-Jin Park, Min-Kang Seo
{"title":"Correction: Recent advances in activated carbon fibers for pollutant removal","authors":"Jong-Hyun Joo,&nbsp;Seong-Hwang Kim,&nbsp;Jee Hoon Kim,&nbsp;Hyun-Ju Kang,&nbsp;Jeong Hoon Lee,&nbsp;Hye-Ji Jeon,&nbsp;Yeon Hee Jang,&nbsp;Jong-Hoon Lee,&nbsp;Seul-Yi Lee,&nbsp;Soo-Jin Park,&nbsp;Min-Kang Seo","doi":"10.1007/s42823-024-00831-0","DOIUrl":"10.1007/s42823-024-00831-0","url":null,"abstract":"","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"35 1","pages":"383 - 383"},"PeriodicalIF":5.5,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143513131","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}
引用次数: 0
Facile microwave hydrothermal synthesis of citric acid-derived carbon dots for photothermal therapy of cancers under NIR irradiation 微波水热合成柠檬酸衍生碳点用于近红外照射下癌症光热治疗
IF 5.5 3区 材料科学
Carbon Letters Pub Date : 2024-11-07 DOI: 10.1007/s42823-024-00830-1
Yingying Jin, Huanhuan Qiao, Yichi Zhang, Yujia He, Shuangning Xie, Yiwen Gu, Fawei Lin
{"title":"Facile microwave hydrothermal synthesis of citric acid-derived carbon dots for photothermal therapy of cancers under NIR irradiation","authors":"Yingying Jin,&nbsp;Huanhuan Qiao,&nbsp;Yichi Zhang,&nbsp;Yujia He,&nbsp;Shuangning Xie,&nbsp;Yiwen Gu,&nbsp;Fawei Lin","doi":"10.1007/s42823-024-00830-1","DOIUrl":"10.1007/s42823-024-00830-1","url":null,"abstract":"<div><p>This paper is devoted to synthesizing a new type of CDs (carbon dots) with excellent NIR (near-infrared) emission in a biological water environment synthesized from small molecules. Citric acid was adopted as the precursor and treated by one-pot hydrothermal process in DMF solution with the assistance of a microwave. Urea (MH) and ammonium fluoride (MF) were adopted as nitrogen sources to synthesize two types of CDs, respectively. These conditions contributed to generate nanostructured carbon with a higher content of Pyrrolic-N, enrich the functional groups, and exfoliate the ordered layer-stacking structure, which finally contributed to the higher NIR absorption band at 808 nm. The physicochemical properties and photothermal conversion ability were fully evaluated by UV–Vis-NIR (ultraviolet–visible light-NIR) absorption and photothermal experiments. MF possessed stronger absorption property and temperature-rising effect in the NIR region than MH, but both exhibited desirable photothermal stability. Next, the in vitro and in vivo experiments demonstrated that both MF and MH exhibited no significant toxicity for cells. NIR irradiation on CDs solution displayed an excellent killing effect on HeLa (breast cancer) and MCF7 (cervical cancer) cells but strongly depended on the concentration of CDs. MH had a weaker killing effect on MCF7 cells compared with MF in the same concentration. But HeLa cells suffered death from lower concentration of MH under NIR irradiation. Both MH and MF exhibited excellent therapy effects and no obvious tissue damage for these major organs of nude mice and BALB/C mice. Above all, both MF and MH with excellent photothermal effect under NIR irradiation had desirable NIR-triggered therapeutic effect on MCF7 and HeLa cells, while they also exhibited good biocompatibility without NIR irradiation.</p></div>","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"35 2","pages":"813 - 823"},"PeriodicalIF":5.5,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740735","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}
引用次数: 0
Vacuum-assisted exfoliation method for large-area, high-quality graphene flakes in nanodevice applications 真空辅助剥离法在纳米器件中大面积高质量石墨烯薄片的应用
IF 5.5 3区 材料科学
Carbon Letters Pub Date : 2024-11-05 DOI: 10.1007/s42823-024-00829-8
Minwook Kim, Van Huy Nguyen, Sunil Kumar, Sohee Lee, Muhammad Suleman, Zhigang Jiang, Takashi Taniguchi, Kenji Watanabe, Yongho Seo
{"title":"Vacuum-assisted exfoliation method for large-area, high-quality graphene flakes in nanodevice applications","authors":"Minwook Kim,&nbsp;Van Huy Nguyen,&nbsp;Sunil Kumar,&nbsp;Sohee Lee,&nbsp;Muhammad Suleman,&nbsp;Zhigang Jiang,&nbsp;Takashi Taniguchi,&nbsp;Kenji Watanabe,&nbsp;Yongho Seo","doi":"10.1007/s42823-024-00829-8","DOIUrl":"10.1007/s42823-024-00829-8","url":null,"abstract":"<div><p>Mechanical exfoliation has been a preferred method for obtaining various two-dimensional (2D) materials due to its ability to produce high-quality thin flakes. However, traditional exfoliation techniques often yield flakes of limited size and low yield. Herein, we present a systematic approach to improve mechanical exfoliation by using vacuum treatment to enhance the van der Waals forces between the substrate and the 2D material. This method comprises oxygen plasma cleaning followed by vacuum treatment, effectively removing organic adsorbates from the substrate and maximizing contact between the outermost layer of 2D material and the substrate. This vacuum-assisted exfoliation approach substantially enhances both the yield and flake size of graphene, resulting in single-layer graphene (SLG) flakes approximately eighty times larger than those achieved through conventional methods. The quality of the exfoliated SLG was assessed using Raman spectroscopy and atomic force microscopy (AFM), which confirmed that it is highly similar to that obtained from conventional exfoliation. Furthermore, the exfoliated SLG flakes were encapsulated between hexagonal boron nitride (hBN) layers and fabricated into SLG field-effect transistors (FETs). These devices exhibited high-performance characteristics, yielding a field-effect mobility (µ) of approximately 110,000 <span>({text{cm}}^{2}/V cdot s)</span> at room condition, demonstrating the effectiveness of the vacuum-assisted exfoliation method in producing high-quality, large-area graphene suitable for advanced electronic applications.</p></div>","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"35 2","pages":"803 - 812"},"PeriodicalIF":5.5,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740730","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}
引用次数: 0
Effect of improved dispersibility of an MWCNT conductive material by oxyfluorination on the electrochemical performance of SiOx/C-based electrodes for lithium-ion batteries 氧氟化提高MWCNT导电材料分散性对锂离子电池SiOx/ c基电极电化学性能的影响
IF 5.5 3区 材料科学
Carbon Letters Pub Date : 2024-11-05 DOI: 10.1007/s42823-024-00828-9
Dongki Kim, Chaehun Lim, Seongjae Myeong, Eunseon Chae, Bo Kyoung Kim, Young-Seak Lee
{"title":"Effect of improved dispersibility of an MWCNT conductive material by oxyfluorination on the electrochemical performance of SiOx/C-based electrodes for lithium-ion batteries","authors":"Dongki Kim,&nbsp;Chaehun Lim,&nbsp;Seongjae Myeong,&nbsp;Eunseon Chae,&nbsp;Bo Kyoung Kim,&nbsp;Young-Seak Lee","doi":"10.1007/s42823-024-00828-9","DOIUrl":"10.1007/s42823-024-00828-9","url":null,"abstract":"<div><p>Oxyfluorination treatment was used to enhance the electrochemical properties of SiOx/C-based lithium-ion battery anode materials by improving the dispersibility of multi-walled carbon nanotubes, which are conductive materials. The dispersibility, chemical, and morphological characteristics of the oxyfluorinated carbon nanotubes were confirmed through various analyses. In addition, the effect of oxyfluorination was analyzed by a lithium-ion battery performance test, and the discharge capacity and cycling stability were significantly improved. The introduction of oxygen functional groups onto the surface of the carbon nanotubes improved their dispersibility. The fluorine functional groups also acted as catalysts for the introduction of these oxygen functional groups onto the surface and improved the cycling stability by forming a LiF-based solid electrolyte interphase layer. The high discharge capacity and improved cycling stability of these lithium-ion batteries were attributed to the enhanced dispersibility of carbon nanotubes induced by oxyfluorination and the resulting enhancement of the 3D network in the anode material promoting the movement of lithium ions and electrons.</p></div>","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"35 1","pages":"373 - 381"},"PeriodicalIF":5.5,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143513222","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}
引用次数: 0
Advances in graphene aerogel–metal oxides (Ni, Co, and Mn) composites for supercapacitor electrodes 超级电容器电极用石墨烯气凝胶-金属氧化物(Ni, Co, Mn)复合材料的研究进展
IF 5.5 3区 材料科学
Carbon Letters Pub Date : 2024-10-29 DOI: 10.1007/s42823-024-00827-w
Fang Peng, Zhihan Liu, Hongge Zhang, Haiyun Ou, Xu Xiang
{"title":"Advances in graphene aerogel–metal oxides (Ni, Co, and Mn) composites for supercapacitor electrodes","authors":"Fang Peng,&nbsp;Zhihan Liu,&nbsp;Hongge Zhang,&nbsp;Haiyun Ou,&nbsp;Xu Xiang","doi":"10.1007/s42823-024-00827-w","DOIUrl":"10.1007/s42823-024-00827-w","url":null,"abstract":"<div><p>Graphene aerogels have gained widespread recognition in recent years as electrode materials for supercapacitors, primarily attributed to their excellent stability and impressive specific capacitance. However, further enhancing their specific capacitance is a formidable task. One viable strategy to overcome this hurdle is to composite them with metal oxides. In doing so, the metal oxides boost the specific capacitance of graphene aerogels, while the latter addresses the stability issues inherent in metal oxides. This article reviews recent research on Ni, Co, and Mn oxide–graphene composite aerogels in supercapacitors, summarizing their preparation processes, performance and energy storage mechanism. While existing studies have demonstrated the feasibility of metal oxide–graphene composite aerogels as supercapacitor electrodes, several challenges remain, necessitating deeper exploration by researchers in this field.</p></div>","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"35 1","pages":"129 - 144"},"PeriodicalIF":5.5,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143513340","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}
引用次数: 0
Optimizing business strategies for carbon energy management in buildings: a machine learning approach in economics and management 优化建筑碳能源管理的商业策略:经济学和管理学中的机器学习方法
IF 5.5 3区 材料科学
Carbon Letters Pub Date : 2024-10-27 DOI: 10.1007/s42823-024-00801-6
Hong Zhang, Teeb Basim Abbas, Yousef Zandi, Alireza Sadighi Agdas, Zahra Sadighi Agdas, Meldi Suhatril, Emad Toghroli, Awad A. Ibraheem, Anas A. Salameh, Hakim AL Garalleh, Hamid Assilzadeh
{"title":"Optimizing business strategies for carbon energy management in buildings: a machine learning approach in economics and management","authors":"Hong Zhang,&nbsp;Teeb Basim Abbas,&nbsp;Yousef Zandi,&nbsp;Alireza Sadighi Agdas,&nbsp;Zahra Sadighi Agdas,&nbsp;Meldi Suhatril,&nbsp;Emad Toghroli,&nbsp;Awad A. Ibraheem,&nbsp;Anas A. Salameh,&nbsp;Hakim AL Garalleh,&nbsp;Hamid Assilzadeh","doi":"10.1007/s42823-024-00801-6","DOIUrl":"10.1007/s42823-024-00801-6","url":null,"abstract":"<div><p>Optimizing business strategies for energy through machine learning involves using predictive analytics for accurate energy demand and price forecasting, enhancing operational efficiency through resource optimization and predictive maintenance, and optimizing renewable energy integration into the energy grid. This approach maximizes production, reduces costs, and ensures stability in energy supply. The novelty of integrating deep reinforcement learning (DRL) in energy management lies in its ability to adapt and optimize operational strategies in real-time, autonomously leveraging advanced machine learning techniques to handle dynamic and complex energy environments. The study’s outcomes demonstrate the effectiveness of DRL in optimizing energy management strategies. Statistical validity tests revealed shallow error values [MAE: 1.056 × 10<sup>(−13)</sup> and RMSE: 1.253 × 10<sup>(−13)</sup>], indicating strong predictive accuracy and model robustness. Sensitivity analysis showed that heating and cooling energy consumption variations significantly impact total energy consumption, with predicted changes ranging from 734.66 to 835.46 units. Monte Carlo simulations revealed a mean total energy consumption of 850 units with a standard deviation of 50 units, underscoring the model’s robustness under various stochastic scenarios. Another significant result of the economic impact analysis was the comparison of different operational strategies. The analysis indicated that scenario 1 (high operational costs) and scenario 2 (lower operational costs) both resulted in profits of $70,000, despite differences in operational costs and revenues. However, scenario 3 (optimized strategy) demonstrated superior financial performance with a profit of $78,500. This highlights the importance of strategic operational improvements and suggests that efficiency optimization can significantly enhance profitability. In addition, the DRL-enhanced strategies showed a marked improvement in forecasting and managing demand fluctuations, leading to better resource allocation and reduced energy wastage. Integrating DRL improves operational efficiency and supports long-term financial viability, positioning energy systems for a more sustainable future.</p></div>","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"35 2","pages":"607 - 621"},"PeriodicalIF":5.5,"publicationDate":"2024-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740671","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}
引用次数: 0
Recent progress of low-loaded platinum on well-functionalized carbon electrocatalysts for oxygen reduction reaction 低负荷铂在良好功能化碳电催化剂上氧还原反应的研究进展
IF 5.5 3区 材料科学
Carbon Letters Pub Date : 2024-10-25 DOI: 10.1007/s42823-024-00822-1
Seon-Yeong Lee, Myung Kyoon Kim, U-hyeok Son, Seunggyun Han, Seungik Lee, Han-Ik Joh
{"title":"Recent progress of low-loaded platinum on well-functionalized carbon electrocatalysts for oxygen reduction reaction","authors":"Seon-Yeong Lee,&nbsp;Myung Kyoon Kim,&nbsp;U-hyeok Son,&nbsp;Seunggyun Han,&nbsp;Seungik Lee,&nbsp;Han-Ik Joh","doi":"10.1007/s42823-024-00822-1","DOIUrl":"10.1007/s42823-024-00822-1","url":null,"abstract":"<div><p>Low-loaded (1–5 wt%) platinum on carbon-based electrocatalysts (l-Pt/C) for the oxygen reduction reaction (ORR) has garnered attention as a promising approach to advancing fuel cell commercialization. Carbon materials, known for their morphological diversity, high specific surface area, ease of doping, cost-effectiveness, and high electrical conductivity, are widely used as supports for l-Pt/C catalysts. This review provides a comprehensive overview of recent progress in carbon-based l-Pt/C catalysts, focusing on three major strategies: modulating pore structure, utilizing the Pt size effect, and introducing novel Pt active sites. Each strategy is detailed, highlighting its principles, characteristics, and limitations with illustrative examples. Finally, we discuss and offer guidance for future research perspectives on highly active l-Pt/C catalysts for ORR.</p></div>","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"35 1","pages":"107 - 127"},"PeriodicalIF":5.5,"publicationDate":"2024-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143513192","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}
引用次数: 0
Implications of the edge states for the band structure of armchair graphene nanoribbons 扶手椅石墨烯纳米带带结构的边缘状态
IF 5.5 3区 材料科学
Carbon Letters Pub Date : 2024-10-24 DOI: 10.1007/s42823-024-00824-z
Michael Filatov, Anna Pomogaeva, Seung Kyu Min
{"title":"Implications of the edge states for the band structure of armchair graphene nanoribbons","authors":"Michael Filatov,&nbsp;Anna Pomogaeva,&nbsp;Seung Kyu Min","doi":"10.1007/s42823-024-00824-z","DOIUrl":"10.1007/s42823-024-00824-z","url":null,"abstract":"<div><p>The one-electron states of (7,38) armchair graphene nanoribbon (AGNR) have been investigated in the ground and excited singlet electronic states by a multi-configuration ensemble density functional theory method. The quasiparticle energies for both electron removal and electron addition states were used to construct the electronic bands of the bulk and zigzag edge states of the ribbon. The zigzag edge states of the ribbon are dispersionless and localized at the ribbon termini. Energetically, the electron removal and electron addition edge states are separated by 2.4 eV, which is in good agreement with the experimentally measured splitting of 2.45±0.10 eV in AGNR of similar length. Excitation of the edge electrons results in a highly electrically polarized singlet excited state, where some of the delocalized bulk orbitals become confined within the structural units (anthracene), thus leading to the formation of Wannier–Stark ladder states.</p></div>","PeriodicalId":506,"journal":{"name":"Carbon Letters","volume":"35 2","pages":"767 - 779"},"PeriodicalIF":5.5,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740583","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}
引用次数: 0
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