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学者姓名：洪若瑜
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Abstract ：
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 . |
| MLA | Wang, Zhenshuai et al. "Sustainable Aloe-Emodin as an Advanced Organic Cathode for High-Performance Aluminum-Ion Batteries" . | CHEMSUSCHEM (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 . |
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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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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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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. © 2024 Elsevier Inc.
Keyword ：
Graphene Graphene Molecular dynamics Molecular dynamics Plasma Plasma RDF analysis RDF analysis
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| GB/T 7714 | Dong, C. , Li, M. , Huang, Y. et al. Molecular dynamics simulation study of graphene synthesis by rotating arc plasma [J]. | Journal of Molecular Graphics and Modelling , 2024 , 133 . |
| MLA | Dong, C. et al. "Molecular dynamics simulation study of graphene synthesis by rotating arc plasma" . | Journal of Molecular Graphics and Modelling 133 (2024) . |
| APA | Dong, C. , Li, M. , Huang, Y. , Yang, H. , Wu, B. , Hong, R. . Molecular dynamics simulation study of graphene synthesis by rotating arc plasma . | Journal of Molecular Graphics and 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. © 2024
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, D. , Wang, Z. , Bao, X. 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, D. 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, D. , Wang, Z. , Bao, X. , Hong, R. , Zhang, X. , Xu, J. . 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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The LiFePO4 cathode material possesses a low diffusion coefficient and exhibits poor electronic conductivity, respectively due to its uniaxial ion channel and inherent semiconductor properties. To address these limitations, Co and Nb doping emerges as a vital solution owing to their similar ionic radii and stable valence states. In this study, density functional theory (DFT) is employed to investigate the impact of Co and Nb doping on the electrochemical and mechanical properties of LiFePO4. The results reveal that the dopants lead to an expansion in the lattice constant of LiFePO4. Furthermore, doping brings about a significant reduction in the volume change rate (0.3% for Co doping and 1% for Nb doping), resulting in enhanced transmission of lithium ions. Specifically, Co and Nb doping elevate the lithium removal voltage of LiFePO4 from 3.44 to 3.96 V and 3.8 V, respectively. Furthermore, these doping processes enhance the material's mechanical properties. It is worth noting that the doping of Co and Nb reduces the migration barrier and increases the diffusion rate of lithium ions. It is observed that the proximity to the doped ion increases the energy barrier, whereas moving away from the doped ion decreases the energy barrier, emphasizing the significant influence of dopant ions on the local energy barrier. Additionally, after doping, the operating voltage of the battery experiences a significant increase. Overall, the selected elements in this study demonstrate promising potential to enhance the performance of LiFePO4 cathode materials, offering encouraging prospects for future advancements in battery technology.
Keyword ：
Discharge rate Discharge rate First-principles First-principles LiFePO4 LiFePO4 Lithium removal voltage Lithium removal voltage Transition state Transition state
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| GB/T 7714 | Lv, Zhi , Li, Minglin , Yang, Hai et al. The first-principles study on electrochemical performance, mechanical properties, and lithium-ion migration of LiFePO4 modified by doping with Co and Nb [J]. | JOURNAL OF SOLID STATE ELECTROCHEMISTRY , 2024 , 28 (8) : 2873-2883 . |
| MLA | Lv, Zhi et al. "The first-principles study on electrochemical performance, mechanical properties, and lithium-ion migration of LiFePO4 modified by doping with Co and Nb" . | JOURNAL OF SOLID STATE ELECTROCHEMISTRY 28 . 8 (2024) : 2873-2883 . |
| APA | Lv, Zhi , Li, Minglin , Yang, Hai , Lin, Junxiong , Luo, Jing , Hong, Ruoyu et al. The first-principles study on electrochemical performance, mechanical properties, and lithium-ion migration of LiFePO4 modified by doping with Co and Nb . | JOURNAL OF SOLID STATE ELECTROCHEMISTRY , 2024 , 28 (8) , 2873-2883 . |
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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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The practical application of graphite cathodes in aluminum ion batteries (AIBs) is hindered by poor cycle and rate performance of graphite, due to serious structural degradation. In this work, different types of kish-expanded graphite (KEG) with different expansion volumes were prepared simply and rapidly using low-cost solid waste kish graphite (KG) as precursor, and K2S2O8 and concentrated H2SO4 as oxide intercalation agents by spaceconfined intercalation expansion strategy. By adjusting the mass ratio of K2S2O8 to KG, the macrostructure and microstructure of KEG can be effectively controlled. Specifically, KEG6, synthesized with the mass ratio of K2S2O8 to KG of 6, exhibited a large expansion volume, graphene nanosheets with numerous graphite microcrystalline layer structures, and micro-nano interlayer pore structures resulting from the cross-linking of graphene nanosheets, along with abundant oxygen-containing functional groups. KEG6, as a cathode material for AIBs, exhibited outstanding electrochemical performance, including superior specific capacity (141.1 mA h/g at 50 mA/g), good rate capability (119.8 mA h/g at 1000 mA/g, 85.6 mA h/g at 2000 mA/g) and remarkable cycle stability (134.0 mA h/g with 99.1% Coulombic efficiency after 10,000 cycles at 1000 mA/g). This study provides a simple and rapid method for the large-scale synthesis of KEG as a potential candidate for AIBs.
Keyword ：
Aluminum ion batteries Aluminum ion batteries Cathode Cathode Electrochemical performances Electrochemical performances Kish-based expanded graphite Kish-based expanded graphite
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| GB/T 7714 | Wang, Zhenshuai , Zhang, Dai , Bao, Xingyang et al. Space-confined intercalation expansion strategy for simple and rapid synthesis of kish-based expanded graphite for aluminum ion batteries [J]. | CARBON , 2024 , 223 . |
| MLA | Wang, Zhenshuai et al. "Space-confined intercalation expansion strategy for simple and rapid synthesis of kish-based expanded graphite for aluminum ion batteries" . | CARBON 223 (2024) . |
| APA | Wang, Zhenshuai , Zhang, Dai , Bao, Xingyang , Hong, Ruoyu , Xu, Ying , Xu, Jinjia et al. Space-confined intercalation expansion strategy for simple and rapid synthesis of kish-based expanded graphite for aluminum ion batteries . | CARBON , 2024 , 223 . |
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采用分子动力学模拟方法，构建双层石墨烯旋转摩擦的原子模型，研究缺陷类型、浓度、尺寸效应、石墨烯堆叠方式等因素对其层间旋转摩擦特性的影响，并探讨应变工程的减摩效应.实验结果表明，缺陷类型和堆叠方式对石墨烯旋转摩擦特性的影响较为显著，缺陷类型的影响程度最高.当对底层石墨烯引入拉伸应变后，其旋转摩擦阻力发生衰减，且单空位缺陷与无缺陷模型的力矩递减趋势最为相似.对比研究底层石墨烯的压缩应变，发现其在一定范围内使得层间摩擦增大.本研究有助于缺陷石墨烯层间旋转摩擦特性理论的进一步完善.
Keyword ：
分子动力学 分子动力学 拉伸应变 拉伸应变 旋转摩擦 旋转摩擦 正交试验设计 正交试验设计 缺陷石墨烯 缺陷石墨烯
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| GB/T 7714 | 李明林 , 王攀 , 洪若瑜 . 不同缺陷类型双层石墨烯旋转摩擦特性 [J]. | 福州大学学报(自然科学版) , 2024 , 52 (03) : 276-283 . |
| MLA | 李明林 et al. "不同缺陷类型双层石墨烯旋转摩擦特性" . | 福州大学学报(自然科学版) 52 . 03 (2024) : 276-283 . |
| APA | 李明林 , 王攀 , 洪若瑜 . 不同缺陷类型双层石墨烯旋转摩擦特性 . | 福州大学学报(自然科学版) , 2024 , 52 (03) , 276-283 . |
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