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学者姓名：洪若瑜
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Abstract ：
ContextThe rotating arc plasma technique for the synthesis of nitrogen-doped graphene capitalizes on the distinctive attributes of plasma, presenting a straightforward, efficient, and catalyst-free strategy for the production of nitrogen-doped graphene. However, experimental outcomes generally fail to elucidate the atomic-level mechanism behind this process. Our research utilizes molecular dynamics simulations to explore theoretically the formation of radicals during the plasma-driven reaction between methane (CH4) and nitrogen (N-2). The simulations present a complex reaction system comprising nine principal species: CH4, CH3, CN, CH2, HCN, CH, N-2, H-2 and H. Notably, HCN and CN emerge as pivotal precursors for nitrogen doping. Optimal nitrogen concentrations enhance the synthesis of these precursors, whereas excessive nitrogen suppresses the formation of C-2 species, impacting the yield of nitrogen-doped graphene. Conversely, higher methane concentrations stimulate the generation of carbon radicals, augmenting the production of HCN and CN and thus, influencing the properties of the synthesized material. This work is expected to lay a theoretical foundation for the refinement of nitrogen-doped graphene synthesis processes.MethodsIn this investigation, we employed the LAMMPS software package to explore the formation of free radicals during the methane-nitrogen reaction via molecular dynamics (MD) simulations. These simulations were conducted under an NVT ensemble, maintaining a constant temperature of 3500 K with a time step of 0.1 fs over a duration of 1000 ps. To reduce the variability and enhance the reliability of the simulation outcomes, each simulation was meticulously conducted three times under identical parameters for subsequent statistical analysis.
Keyword ：
Methane Methane Molecular Dynamics Molecular Dynamics Nitrogen gas Nitrogen gas Radicals Radicals
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| GB/T 7714 | Dong, Chuanhao , Li, Minglin , Yang, Hai et al. Plasma-driven synthesis of nitrogen-doped graphene: unveiling the reaction mechanism and kinetic insights [J]. | JOURNAL OF MOLECULAR MODELING , 2025 , 31 (2) . |
| MLA | Dong, Chuanhao et al. "Plasma-driven synthesis of nitrogen-doped graphene: unveiling the reaction mechanism and kinetic insights" . | JOURNAL OF MOLECULAR MODELING 31 . 2 (2025) . |
| APA | Dong, Chuanhao , Li, Minglin , Yang, Hai , Huang, Yanyi , Wu, Bo , Hong, Ruoyu . Plasma-driven synthesis of nitrogen-doped graphene: unveiling the reaction mechanism and kinetic insights . | JOURNAL OF MOLECULAR MODELING , 2025 , 31 (2) . |
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3d transition metal-based lithium-rich cathodes (LRMNC), exemplified by the chemical formulas Li1+xTM1-xO2 and xLi(2)MnO(3)center dot(1-x)LiTMO2 (where TM represents Mn, Ni, or Co), exhibit markedly higher capacities (similar to 250-300 mAh/g) and energy densities (similar to 1000 Wh/kg) than their conventional counterparts. This enhanced performance is a result of synergistic cationic and anionic redox reactions, particularly those involving oxygen, which significantly boost the cathode's specific capacity and energy density. Nonetheless, LRMNCs encounter formi-dable challenges, including structural degradation, capacity and voltage decay, hysteresis, and sluggish kinet-ics-issues that stem from complex cationic and anionic redox processes (CAR). The interplay between these redox reactions is sophisticated and crucial for optimizing the performance of LRMNCs. Our study offers an in- depth analysis of these processes, highlighting their intricate interactions, and aims to enhance the stability and efficiency of these cathode materials. Additionally, we provide a comprehensive review of the evolution of layered lithium-rich oxide (LLRO) cathodes, detailing the development of CAR processes, their impacts, and potential strategies for improvement.
Keyword ：
Cationic and anionic redox processes (CAR) Cationic and anionic redox processes (CAR) Consequences Consequences Doping Doping Lithium rich 3d transition metal (Mn/Ni/Co) cathode (LRMNC) Lithium rich 3d transition metal (Mn/Ni/Co) cathode (LRMNC) Surface engineering Surface engineering
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| GB/T 7714 | Bhosale, Sanjana S. , Hong, Ruoyu , Li, Minglin et al. Unlocking the full potential of 3d transition metal-based lithium-rich cathodes: Enhancing redox and mitigating degradation [J]. | JOURNAL OF ENERGY STORAGE , 2025 , 111 . |
| MLA | Bhosale, Sanjana S. et al. "Unlocking the full potential of 3d transition metal-based lithium-rich cathodes: Enhancing redox and mitigating degradation" . | JOURNAL OF ENERGY STORAGE 111 (2025) . |
| APA | Bhosale, Sanjana S. , Hong, Ruoyu , Li, Minglin , Chen, Jianguo . Unlocking the full potential of 3d transition metal-based lithium-rich cathodes: Enhancing redox and mitigating degradation . | JOURNAL OF ENERGY STORAGE , 2025 , 111 . |
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Anthraquinone derivatives, known for their redox properties, are widely recognized as promising cathode materials for aluminum-ion batteries. This study presents an environmentally benign extraction of aloe-emodin from aloe dry powder, a sustainable and economically viable resource, using ferric chloride as an oxidizing agent in an acidic medium. Emodin and its isomer, aloe-emodin, share a symmetrical polycyclic chemical architecture and carbonyl functionalities, but differ in the position of their hydroxyl groups. The shift of a hydroxyl group from the aromatic ring to the methyl moiety in emodin results in aloe-emodin, enhancing its redox potential. As a cathode material in aluminum-ion batteries, aloe-emodin demonstrates enhanced electrochemical performance compared to emodin, showcasing a high reversible specific capacity of 85.9 mAh/g at 50 mA/g, superior rate capability with 42.0 and 32.0 mAh/g at 1000 and 2000 mA/g, respectively, and remarkable long-term cyclability with a capacity retention of 50.3 mAh/g and a Coulombic efficiency of 99.05 % after 6000 cycles at 1000 mA/g. These findings contribute to a deeper understanding of the design principles for aluminum-ion batteries that leverage anthraquinone-based cathode materials.
Keyword ：
aloe-emodin aloe-emodin aluminum ion batteries aluminum ion batteries electrochemical performances electrochemical performances Emodin Emodin organic cathode organic cathode
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| GB/T 7714 | Wang, Zhenshuai , Qiu, Haihua , Hong, Ruoyu et al. Sustainable Aloe-Emodin as an Advanced Organic Cathode for High-Performance Aluminum-Ion Batteries [J]. | CHEMSUSCHEM , 2025 , 18 (11) . |
| MLA | Wang, Zhenshuai et al. "Sustainable Aloe-Emodin as an Advanced Organic Cathode for High-Performance Aluminum-Ion Batteries" . | CHEMSUSCHEM 18 . 11 (2025) . |
| APA | Wang, Zhenshuai , Qiu, Haihua , Hong, Ruoyu , Li, Minglin . Sustainable Aloe-Emodin as an Advanced Organic Cathode for High-Performance Aluminum-Ion Batteries . | CHEMSUSCHEM , 2025 , 18 (11) . |
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Rechargeable graphene-based aluminum-ion batteries (AIBs) are recognized as a promising energy storage system. The impact of the macroscopic morphology of graphene electrodes on electrochemical performance, however, has been minimally explored. Reduced graphene oxide (rGO) was synthesized via a modified Hummers method and hydrothermal reduction, utilizing natural flake graphite as the starting material. The traditional electrode preparation process was employed, where the active material, conductive agent, and binder were combined to form a slurry for coating and subsequent drying, resulting in the rGO electrode. Aerogel-shaped rGO (rGOA) and film-shaped rGO (rGOF) electrodes were additionally crafted through freeze-drying and filtration drying techniques. Among the three distinct rGO electrode morphologies tested as cathodes in AIBs, the rGOF electrode demonstrated outstanding electrochemical characteristics, including a high specific capacity of 149.3 mAh/g at 500 mA/g, a substantial rate performance of 55.3 mAh/g at 10,000 mA/g, and an impressive long-term cycling stability of 94.5 mAh/g with a Coulombic efficiency of 95.8 % at 5000 mA/g after 10,000 cycles. These superior properties are attributed to the rGOF's binder-free, densely packed structure. The findings suggest that the rGOF electrode holds significant potential as a cathode material for AIBs, offering advantages in both scalable preparation and superior electrochemical performance.
Keyword ：
Aluminum ion batteries Aluminum ion batteries Electrochemical performance Electrochemical performance Electrodes Electrodes Macroscopic morphology Macroscopic morphology Reduced graphene oxide Reduced graphene oxide
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| GB/T 7714 | Wang, Zhenshuai , Zhang, Dai , Chen, Jianguo et al. High-performance aluminum-ion batteries enabled by architected reduced graphene oxide electrodes [J]. | SURFACES AND INTERFACES , 2025 , 63 . |
| MLA | Wang, Zhenshuai et al. "High-performance aluminum-ion batteries enabled by architected reduced graphene oxide electrodes" . | SURFACES AND INTERFACES 63 (2025) . |
| APA | Wang, Zhenshuai , Zhang, Dai , Chen, Jianguo , Hong, Ruoyu , Li, Minglin . High-performance aluminum-ion batteries enabled by architected reduced graphene oxide electrodes . | SURFACES AND INTERFACES , 2025 , 63 . |
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Ultrafine silicon carbide (SiC) powders have garnered increasing attention mainly due to their vast potential for diverse applications. In this study, a plasma-enhanced fluidized bed reactor to crack hexamethyldisilane (HMDS) was effectively developed, thereby producing SiC/NC composites with diameters ranging from 10 to 20 nm. This method enabled large-scale and sustainable production of SiC/NC composites. Concurrently, nitrogen doping was finally achieved by introducing ammonia during the plasma process, which increased material defects and thus enhanced electrical conductivity. Moreover, the abundant hydrogen atoms in ammonia modulated the product properties, as evidenced by reduced particle size, enhanced crystallinity as well as decreased free-carbon content. The synthesized composites were applied as anodes in lithium-ion batteries, and their feasibility was confirmed through extensive testing. Notably, SiC-150 exhibited a discharge capacity of 413mAh g−1 after 200 cycles at 0.1 A g−1 and maintained a high specific capacity of 780mAh g−1 even after 800 cycles at 0.5 A g−1. © 2025 Elsevier B.V.
Keyword ：
Semiconductor doping Semiconductor doping Silicon carbide Silicon carbide
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| GB/T 7714 | Wang, Zihao , Lei, Zewei , Hong, Ruoyu et al. Plasma-enhanced synthesis of nitrogen-doped silicon carbide nanopowders in a fluidized-bed reactor for lithium-ion battery anodes [J]. | Chemical Engineering Journal , 2025 , 514 . |
| MLA | Wang, Zihao et al. "Plasma-enhanced synthesis of nitrogen-doped silicon carbide nanopowders in a fluidized-bed reactor for lithium-ion battery anodes" . | Chemical Engineering Journal 514 (2025) . |
| APA | Wang, Zihao , Lei, Zewei , Hong, Ruoyu , Li, Minglin , He, Xianfeng . Plasma-enhanced synthesis of nitrogen-doped silicon carbide nanopowders in a fluidized-bed reactor for lithium-ion battery anodes . | Chemical Engineering Journal , 2025 , 514 . |
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| GB/T 7714 | Yang, Shuanqiang , Jia, Zhenzhen , Xu, Jinjia et al. RETRACTION: Influence of DETA on Thermal and Corrosion Protection Properties of GPTMS-TEOS Hybrid Coatings on Q215 Steel. Coatings 2023, 13, 1145 [J]. | COATINGS , 2025 , 15 (2) . |
| MLA | Yang, Shuanqiang et al. "RETRACTION: Influence of DETA on Thermal and Corrosion Protection Properties of GPTMS-TEOS Hybrid Coatings on Q215 Steel. Coatings 2023, 13, 1145" . | COATINGS 15 . 2 (2025) . |
| APA | Yang, Shuanqiang , Jia, Zhenzhen , Xu, Jinjia , Hong, Ruoyu . RETRACTION: Influence of DETA on Thermal and Corrosion Protection Properties of GPTMS-TEOS Hybrid Coatings on Q215 Steel. Coatings 2023, 13, 1145 . | COATINGS , 2025 , 15 (2) . |
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As multivalent ion batteries, aluminum ion batteries (AIBs) have broad application prospects. In addition, with the further development of new electrolytes, deep eutectic electrolytes are expected to become a green, inexpensive, safe, and ideal electrolytic liquid system to replace traditional ionic liquid electrolytic systems commonly used in AIBs. Herein, we prepared an AlCl3-acetamide (AcAm) electrolyte and systematically analyzed its ion transport capacity at different molar ratios of its components. Consequently, a compositional ratio of 1 : 1.4 of AcAm : AlCl3 provided the best ion transport capacity, exhibiting an exceptional electrochemical performance with high reversible capacity, excellent rate performance, and excellent cycling performance. The graphite material in the electrolytic liquid system showed a typical charge storage mechanism dominated by diffusion-controlled processes, indicating that the charge storage behavior of the graphite electrode in this type of electrolyte battery is dependent on ion intercalation. Additionally, the main structure of the graphite material showed little to no change during a long electrochemical test cycle, suggesting its high structural stability. This research shows that the amide electrolyte has great potential for electrochemical application and broad application prospect.
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| GB/T 7714 | Bao, Xingyang , Wang, Zhenshuai , Zhang, Dai et al. A deep eutectic electrolyte of AlCl3-acetamide for rechargeable aluminum-ion batteries [J]. | NEW JOURNAL OF CHEMISTRY , 2024 , 48 (13) : 5893-5901 . |
| MLA | Bao, Xingyang et al. "A deep eutectic electrolyte of AlCl3-acetamide for rechargeable aluminum-ion batteries" . | NEW JOURNAL OF CHEMISTRY 48 . 13 (2024) : 5893-5901 . |
| APA | Bao, Xingyang , Wang, Zhenshuai , Zhang, Dai , Hong, Ruoyu , Li, Minglin , Smith, Campion M. et al. A deep eutectic electrolyte of AlCl3-acetamide for rechargeable aluminum-ion batteries . | NEW JOURNAL OF CHEMISTRY , 2024 , 48 (13) , 5893-5901 . |
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Nowadays, the energy supply market for commercial electrical vehicles and mobiles is highly dominated by Li-ion batteries (LIBs). The layered Li-rich (LLR) oxide MNC (Mn, Ni, and Co)-based cathode is a promising material for next-generation LIBs due to its high energy and power density, cost-effectiveness, and eco-friendliness. However, LLR material's micrometer-size particles can lead to intergranular cracks during electrochemical cycling at high voltages, resulting in a thick solid electrolyte interphase. Along with this, structural fluctuations, particle agglomeration and non-uniform particles, oxygen loss in initial cycling, Mn dissolution, irreversible cation migration, high internal resistance, and corrosion contribute to issues like low charge-discharge capacities, voltage fade, irreversible capacity loss, poor Coulombic efficiency, and limited rate capability, degrading the electrochemical performance of the LLR cathode. Fortunately, the nanomaterials (NMs) coating, including oxides, phosphates, fluorides, carbon compounds, and polymers, offers solutions through core/shell strategies composed of LLR core and nanoscale shell. This article delves into NM coating advantages and methods for achieving uniform, homogeneous, and ultrathin nanocoatings (less than 40 nm thickness). Additionally, incorporating the ultrathin spinel layer and oxygen vacancies can further enhance the electrochemical activity.
Keyword ：
Li-ion battery Li-ion battery Li-rich cathode material Li-rich cathode material nanomaterial coatings nanomaterial coatings
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| GB/T 7714 | Bhosale, Sanjana S. , Sun, Zhineng , Hong, Ruoyu . Nanomaterial coating for layered lithium rich transition metal oxide cathode for lithium-ion battery [J]. | NANOTECHNOLOGY REVIEWS , 2024 , 13 (1) . |
| MLA | Bhosale, Sanjana S. et al. "Nanomaterial coating for layered lithium rich transition metal oxide cathode for lithium-ion battery" . | NANOTECHNOLOGY REVIEWS 13 . 1 (2024) . |
| APA | Bhosale, Sanjana S. , Sun, Zhineng , Hong, Ruoyu . Nanomaterial coating for layered lithium rich transition metal oxide cathode for lithium-ion battery . | NANOTECHNOLOGY REVIEWS , 2024 , 13 (1) . |
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The rotating arc plasma method, based on its unique characteristics, provides a simple, efficient, and catalyst-free approach for graphene material synthesis. This study employs molecular dynamics simulations to theoretically investigate the detailed growth process of graphene at the atomic scale using plasma. During the growth process, different radicals serve as dissociation precursors within the plasma. Simulation results indicate that the growth process of graphene clusters involves three stages: extension of carbon clusters, cyclization of carbon chains, and coalescence of clusters into sheets. Firstly, the precursor concentration affects the size of graphene clusters; increasing the precursor concentration enlarges the cluster size but also increases the likelihood of curling. Secondly, increasing the hydrogen content in the precursor can reduce the growth rate of clusters, decrease dangling bonds at the periphery of clusters, thereby slowing down cluster closure and maintaining a well-defined sheet structure. Lastly, appropriately elevating the simulation temperature can enhance the reaction rate during the simulation process without altering the reaction pathway. These research findings establish the foundation for understanding the growth mechanism of graphene.
Keyword ：
Graphene Graphene Molecular dynamics Molecular dynamics Plasma Plasma RDF analysis RDF analysis
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| GB/T 7714 | Dong, Chuanhao , Li, Minglin , Huang, Yanyi et al. Molecular dynamics simulation study of graphene synthesis by rotating arc plasma [J]. | JOURNAL OF MOLECULAR GRAPHICS & MODELLING , 2024 , 133 . |
| MLA | Dong, Chuanhao et al. "Molecular dynamics simulation study of graphene synthesis by rotating arc plasma" . | JOURNAL OF MOLECULAR GRAPHICS & MODELLING 133 (2024) . |
| APA | Dong, Chuanhao , Li, Minglin , Huang, Yanyi , Yang, Hai , Wu, Bo , Hongd, Ruoyu . Molecular dynamics simulation study of graphene synthesis by rotating arc plasma . | JOURNAL OF MOLECULAR GRAPHICS & MODELLING , 2024 , 133 . |
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The recovery of spent graphite (SG) from lithium-ion batteries (LIBs) has been neglected due to its relatively low value and the lack of effective recovery methods. In this study, a green and cost-effective water washing process was used to recycle the spent graphite of LIBs anode, and the recovered graphite (RG) was used as the cathode material of aluminum ion batteries (AIBs). The RG retained the integrated graphite structure after the water washing process, showing a slightly enlarged interlayer spacing. When used as a cathode material for AIBs, it exhibits better electrochemical performance than commercial artificial graphite. At a current density of 50 mA g- 1, the RG shows a high specific capacity of 95.2 mAh g-1. At a high current density of 2000 mA g-1, the specific capacity still maintains 51 mAh g-1, demonstrating excellent rate performance. Meanwhile, the average specific capacity of 72.5 mAh g- 1 was steadily cycled for 10,000 cycles at a current density of 1000 mA g- 1, showing excellent cycle performance. This work provides a novel approach to the high-value-added application of spent graphite from lithium batteries and a development of high-performance graphite cathode materials for AIBs.
Keyword ：
Aluminum ion batteries Aluminum ion batteries pent graphite pent graphite Recovered graphite Recovered graphite Water washing Water washing
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| GB/T 7714 | Zhang, Dai , Wang, Zhenshuai , Bao, Xingyang et al. A green and low-cost approach to recover graphite for high-performance aluminum ion battery cathode [J]. | MATERIALS TODAY SUSTAINABILITY , 2024 , 28 . |
| MLA | Zhang, Dai et al. "A green and low-cost approach to recover graphite for high-performance aluminum ion battery cathode" . | MATERIALS TODAY SUSTAINABILITY 28 (2024) . |
| APA | Zhang, Dai , Wang, Zhenshuai , Bao, Xingyang , Hong, Ruoyu , Zhang, Xing , Xu, Jinjia . A green and low-cost approach to recover graphite for high-performance aluminum ion battery cathode . | MATERIALS TODAY SUSTAINABILITY , 2024 , 28 . |
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