Article
Chemistry, Analytical
Rencheng Jin, Guangming Wang, Shanmin Gao, Hongwei Kang, Shuisheng Chen
Summary: Transition metal sulfides, specifically NiS1.03@NiMoS4 nanocrystals encapsulated in mesoporous carbon microspheres, have been designed and synthesized for use as anodes in lithium ion batteries. The resulting NiS1.03@NiMoS4@C hybrid demonstrates high reversible capacity and long-term cycle stability, attributed to its unique architecture accommodating volume changes and facilitating Li+ transport, showing promise for high performance lithium ion batteries.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2021)
Article
Chemistry, Analytical
Ying Liu, Xue Zhou, Ping Chen, Xinrong Cao, Dongxuan Liu, Ruiqi Wang
Summary: Transition metal sulfides, particularly NiS2/FeS2, were successfully synthesized with a hollow yolk-shell and nano-flower structure, which exhibits excellent electrochemical performance as an anode material for lithium-ion batteries. The introduction of a N-doped carbon layer effectively enhances the electro-conductivity and structural stability, while the unique layered structure provides more active sites for lithium storage and shortens the ion transport path. The electrode demonstrates splendid cycling performance with a capacity of 709.9 mAh g-1 at 0.2 A g-1 after 200 cycles.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2023)
Article
Engineering, Environmental
Xintong Lian, Na Xu, Yanchen Ma, Feng Hu, Huaixin Wei, Han-Yi Chen, Yongzhi Wu, Linlin Li, Diansen Li, Shengjie Peng
Summary: A reliable synthetic approach was reported for the in-situ growth of Co-based ZIF-67 on electrospun nanofibers, followed by carbonization and sulfurization to form Co1-xS hollow polyhedrons anchored on multichannel carbon nanofibers (Co1-xS/MCF) for LIBs and SIBs. The resulting binder-free Co1-xS/MCF anode demonstrated advanced electrochemical properties for both LIBs and SIBs, attributed to the unique multichannel nanostructure and Co1-xS hollow polyhedrons providing active sites and reducing structural strain.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Tianyi Hou, Borui Liu, Xiaohong Sun, Anran Fan, Zhongkai Xu, Shu Cai, Chunming Zheng, Guihua Yu, Antonio Tricoli
Summary: Transition-metal sulfides (TMSs) combined with carbon nanotubes (CNTs) through a covalent coupling strategy show exceptional performance as anode materials, offering superior long-term stability and excellent rate capability for LIBs and SIBs applications.
Article
Chemistry, Physical
Dongxuan Liu, Weixing Min, Ping Chen, Dongwei Xu, Xinrong Cao, Guanzhen Chen, Ruiqi Wang
Summary: In this study, porous yolk-shell CoS2@FeS2@NC hollow microspheres were prepared to address the poor rate performance and capacity decay issues of transition metal chalcogenides in lithium-ion batteries. The unique structure of the microspheres shortened the transport length of lithium ions and alleviated volume change, while the coating of nitrogen-doped carbon layer enhanced electrical conductivity and prevented metal particle exfoliation. The yolk-shell CoS2@FeS2@NC hollow microspheres showed high specific capacity and excellent cycle stability, demonstrating their potential as high-performance electrode materials for lithium-ion batteries.
Article
Chemistry, Physical
Lixuan Zhang, Fan Peng, Man Zhang, Dan Li, Qichang Pan, Guanhua Yang, Fenghua Zheng, Youguo Huang, Hongqiang Wang, Qingyu Li
Summary: In this study, a heterostructured binary sulfide nanoparticles coated with N-doped carbon and further wrapped with graphene was synthesized to overcome the volume variation and inferior electrical conductivity of SnS2, making it a promising anode material for both lithium-ion batteries and sodium-ion batteries.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
Zhicong Wang, Chunjuan Cui, Yanan Zhao, Qingzhe Cui, Haolin Li, Zhiqi Zhao, Chongyang Wu, Jian Wei
Summary: A heterogeneous structure of G-VS4/MoS2 composites was constructed to accelerate charge transport in lithium-sulfur batteries. The material exhibited high capacity and good capacity retention rate, providing new insights for the development of cathode materials for lithium-sulfur batteries.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Multidisciplinary
Tao Wang, Mingsheng Li, Lu Qi, Pengfei Jie, Wenlong Yang, Yuliang Li
Summary: Layered guest carbon materials, such as crystalline graphdiyne oxide (GDYO), can be inserted into the gallery of layered hosts like MoS2 to regulate their interlayer structure and electronic properties, resulting in improved performance in Li-ion batteries. The insertion of GDYO in MoS2 leads to enlarged interlayer distance, interfacial electric fields, and regulation of electrochemical products and current density distribution. This heterostructure exhibits high reversible capacity and cyclic stability, making it a promising candidate for high-performance energy storage and conversion systems.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Physical
Penghao Song, Jiabao Li, Yu Zhang, Falin Tang, Chengyin Wang, Dawei Su, Tianyi Wang
Summary: A double-shelled hollow structure of NiS-FeS nanocubes with a nitrogen-doped carbon coating layer was fabricated using a template method. This composite showed excellent reversible capacity and rate capability when used as an electrode material for sodium-ion batteries.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Jiajia Wang, Xiyan Yue, Zhengkun Xie, Abuliti Abudula, Guoqing Guan
Summary: Sodium ion batteries have emerged as promising alternatives to lithium ion batteries due to their lower cost and more abundant resources. However, a major challenge for their commercialization is finding suitable anode materials with excellent performance, such as high specific capacity and long-term stability. Transition metal sulfides have potential, but their cycling stability remains a limiting factor.
ENERGY STORAGE MATERIALS
(2021)
Article
Chemistry, Physical
Dejian Zhu, Shifeng Li, Juntong Huang, Zhi Chen, Zihan Hu, Juan Li, Xibao Li, Huiyong Yang, Zhijun Feng
Summary: The Ni3S2/Ni@N-doped carbon composite electrode showed excellent performance as an anode for alkali metal batteries, likely due to the combined effect of Ni and C layer. This work offers a simple approach to design high-performance materials that can potentially replace current alkali ion battery anodes in commercial production.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Energy & Fuels
Xi Zhu, Shuangyi Liu
Summary: Transition bimetallic sulfide CuNi2S4 with improved structure and conductivity shows promising potential as a material for hybrid supercapacitors.
JOURNAL OF ENERGY STORAGE
(2022)
Article
Chemistry, Multidisciplinary
Zhiyong Li, Rui Sun, Zhaoxia Qin, Xinlong Liu, Caihong Wang, Shengjun Lu, Yufei Zhang, Haosen Fan
Summary: An innovative hierarchical NiCoS4@ReS2 heterostructure was successfully constructed in this study, showing excellent energy storage capacity and cycling stability. This research provides a new pathway for the synthesis of heterostructured metal sulfides.
MATERIALS CHEMISTRY FRONTIERS
(2021)
Article
Chemistry, Physical
Yongbing Li, Runhe He, Hao Liu, Yun Zhang, Haihui Liu, Na Han, Xingxiang Zhang
Summary: In this study, high-performance cathode materials for lithium-sulfur batteries were prepared by using SPAN nanofibers containing a certain amount of CoS2 to promote the redox kinetics of sulfur conversion. The CoS2-SPAN showed a high reversible capacity of 762 mAh g(-1) (composite) at 0.2C, excellent multiplicative performance of 592 mAh g(-1) (composite) at 4.0 C, and an extremely stable cycle life of more than 500 cycles. It maintained high reversible capacities even under high areal loading and a lean electrolyte condition.
ACS APPLIED ENERGY MATERIALS
(2023)
Review
Chemistry, Multidisciplinary
Yew Von Lim, Xue Liang Li, Hui Ying Yang
Summary: The paper summarizes effective strategies to reduce the performance shortcomings of materials, with a focus on metal sulfides as high-performance electrode materials for SIBs. In the future, the development of highly functional SIBs electrode materials and the utilization of metal sulfides will become increasingly relevant.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Nanoscience & Nanotechnology
Zheng Pan, Yinguo Zhou, Lei Zhang
Summary: This article uses machine learning and symbolic regression methods to predict the complex multidimensional design space and describe the photoelectrochemical properties of halide perovskite materials. The best algorithm is found through a comparison of different machine learning algorithms, and hybrid descriptors are designed using symbolic regression to outperform individual descriptors.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Review
Energy & Fuels
Lei Zhang, Wenguang Hu
Summary: This manuscript reviews the progress and design principles of molecular compounds for perovskite solar cells, highlighting the effectiveness of molecular design strategies in improving their optoelectronic performance and stability. Different molecular design strategies are explained, including considering A-site cations, additive molecules, solvent molecules, and surface adsorbates. The molecular impacts on charge transfer directions and molecular engineering on halide perovskites are also discussed, along with the emphasis on machine learning methods for optimizing the molecular layers.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Materials Science, Multidisciplinary
Lei Zhang, Wenguang Hu, Shaofeng Shao
Summary: This review article summarizes the recent progress of dye-modified halide perovskite materials for perovskite solar cells, explaining the interactions between dyes and halide perovskite materials and discussing various types of dyes that have been successfully used in solar cells. Additionally, the design parameters of dyes compatible with halide perovskite materials are elucidated.
ORGANIC ELECTRONICS
(2022)
Article
Chemistry, Physical
Jiachi Xie, Lei Zhang
Summary: An accurate and interpretable machine learning model was constructed for the adsorption energies of atmospheric and greenhouse gases on low-dimensional TiO2 surfaces. Symbolic regression and random forest algorithm were employed to design molecular descriptors and achieve high accuracies in describing the adsorption energies. Scientific analysis visualized relationships between input features and output targets, highlighting the impacts of gas composition and external electric fields on adsorption energies.
APPLIED SURFACE SCIENCE
(2022)
Article
Materials Science, Ceramics
Kun Qian, Zongyong Mu, Xin Wang, Yaqi Zhang, Mingzhang Zhu, Chaozhi Zhang, Jingfa Li
Summary: In this study, antimony (Sb)-based nanocomposites were used as anode materials for potassium ion batteries due to their high theoretical capacity and working voltage. However, issues such as slow potassium ion diffusion, unstable Sb/electrolyte interphase, and large volume variation have hindered the practical use of Sb-based anodes. A new strategy involving the fabrication of Sb@N-C/rGO hierarchical structures was developed to address these challenges. The resulting anode exhibited high reversible specific capacity and excellent long-cycle stability, making it a promising alloying-type electrode material for rechargeable batteries.
CERAMICS INTERNATIONAL
(2023)
Article
Engineering, Electrical & Electronic
Song Wei, Xiang Luo, Juhong Miao, Lei Zhang
Summary: This study develops a simple method to prepare high-quality alloyed quantum dots and successfully fabricates high-performance light-emitting diodes. The research results are of great significance for improving the performance of light-emitting diodes.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2022)
Article
Chemistry, Physical
Yingjie Hu, Xiaobing Hu, Lu Zhang, Tao Zheng, Jiaxue You, Binxia Jia, Yabin Ma, Xinyi Du, Lei Zhang, Jincheng Wang, Bo Che, Tao Chen, Shengzhong (Frank) Liu
Summary: Through machine learning, the influences of factors such as grain size, defect density, bandgap, fluorescence lifetime, and surface roughness on the efficiency and stability of perovskite solar cells have been revealed. The bandgap has the greatest impact on efficiency, while surface roughness and grain size have the most influence on long-term stability.
ADVANCED ENERGY MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Hongmin Liu, Pankun Wu, Ronghao Wang, Huanjiang Meng, Yaqi Zhang, Weizhai Bao, Jingfa Li
Summary: The combination of photo-driven self-powered supplies and energy storage systems shows promise in solving the global energy crisis. This study introduces a customized Janus-jointed photocathode design and integrates it into an aqueous zinc-tellurium battery, resulting in a high-energy and high-efficiency energy system.
Article
Chemistry, Multidisciplinary
Shaofeng Shao, Lei Zhang, Jun Zhang, Bo Ma, Hyoun Woo Kim, Sang Sub Kim
Summary: A plasma-assisted synthetic approach was used to fabricate hierarchical nanostructures and load TAPP-COFs, improving the sensitivity and selectivity of the sensor for 3H-2B detection. The nanocages showed highly specific sensing performance and excellent long-term stability at low concentrations.
Article
Materials Science, Multidisciplinary
Lei Zhang, Shenyue Li, Wenguang Hu
Summary: In this study, the interactions between atmospheric gas molecules and a two-dimensional Ruddlesden-Popper halide perovskite Cs2PbBr4 surface are evaluated using first-principles calculation and machine learning techniques. An accurate machine learning model is obtained based on the XGBRF ensemble algorithm, and a chemically-aware symbolic regression-derived descriptor is found to complement the machine learning model. Both the machine learning model and symbolic regression indicate the importance of functional energy levels and functional groups of molecules in the perovskite systems. This study demonstrates the feasibility of combining density functional theory and machine learning to model perovskite structures under atmospheric conditions.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
(2023)
Article
Materials Science, Multidisciplinary
Wenguang Hu, Lei Zhang
Summary: In this study, a machine learning (ML) coupled with high-throughput density functional theory (DFT) calculation method is used to predict lead-free halide perovskite materials with suitable band gap and stability for solar cell applications. Two machine learning models targeting band gap and formation energy are constructed, and candidate materials are selected through intersection. The predicted materials are evaluated for their thermodynamic stability and photovoltaic capabilities. New descriptors and alternative feature analysis methods are proposed for comprehensive evaluation.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Lei Zhang, Wenguang Hu, Mu He, Shenyue Li
Summary: This study demonstrates an interpretable machine learning pipeline coupled with a symbolic regression method to optimize and understand the stability and photovoltage of perovskite films. The machine learning model accurately predicts the performance of the modified films in aqueous solutions, and the experimental results confirm the improved stability and photovoltage. This research provides a platform for accelerating the design of stable and high-performance perovskite films in extreme conditions.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Yiru Huang, Shenyue Li, Lei Zhang
Summary: In this study, machine learning is used to predict stable multiple solvent-modified perovskite films under hostile conditions, and a complicated quinary solvent system is found to significantly improve the optoelectronic stability. The accuracy of the machine learning model is verified through experiments, achieving an experimental accuracy of 80%. The study demonstrates the efficacy of machine learning for solvent design towards stable halide perovskite materials.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Biochemical Research Methods
Wenguang Hu, Lei Zhang
Summary: Data-driven methods are essential for modeling and analyzing the adsorption of organic molecules on low-dimensional surfaces. This manuscript combines machine learning and symbolic regression with DFT calculations to investigate the adsorption of atmospheric organic molecules on a low-dimensional metal oxide mineral system. The results show that random forest algorithm achieves high accuracies, and polarizability and bond type of the organic adsorbates are key descriptors for adsorption energy output. Symbolic regression coupled with genetic programming also identifies hybrid new descriptors, indicating its potential for complementing traditional machine learning techniques. This manuscript provides a comprehensive framework for data-driven modeling and analysis of the adsorption of organic molecules on low-dimensional surfaces.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
(2023)
Review
Chemistry, Physical
Weizhai Bao, Hao Shen, Ronghao Wang, Chengfei Qian, Dingyu Cui, Jingjie Xia, He Liu, Cong Guo, Feng Yu, Jingfa Li, Kaiwen Sun
Summary: This article reviews the development and application of photo-assisted rechargeable batteries, including the classification and explanation of photoelectrode components, working principles, types, and improvement strategies. It also discusses the bottleneck and future challenges and prospects of such batteries, providing possibilities for advancing their design principles.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
