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RESEARCH PAPER · Batteries & Supercaps · 2020

Materials Informatics Screening of Li‐Rich Layered Oxide Cathode Materials with Enhanced Characteristics Using Synthesis Data

Natalia V. Kireeva, Vladislav S. Pervov

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Materials Informatics Screening of Li‐Rich Layered Oxide Cathode Materials with Enhanced Characteristics Using Synthesis DataOriginalHybridizing Li@Mn6 and Sb@Ni6 superstructure units to tune the electrochemical performance of Li-rich layered oxides18Accurate Control of Initial Coulombic Efficiency for Lithium‐rich Manganese‐based Layered Oxides by Surface Multicomponent Integration190Accurate Control of Initial Coulombic Efficiency for Lithium‐rich Manganese‐based Layered Oxides by Surface Multicomponent Integration5Towards efficient binders for silicon based lithium-ion battery anodes207Designing positive electrodes with high energy density for lithium-ion batteries84Machine learning analysis of microwave dielectric properties for seven structure types: The role of the processing and composition19The data-intensive scientific revolution occurring where two-dimensional materials meet machine learning62Artificial Intelligence Applied to Battery Research: Hype or Reality?503Research on Recommendation of College Mental Health Teaching Materials Based on Improved Deep Learning Algorithm3Synthesis–structure relationships in Li- and Mn-rich layered oxides: phase evolution, superstructure ordering and stacking faults22Machine Learning Predicts the X-ray Photoelectron Spectroscopy of the Solid Electrolyte Interface of Lithium Metal Battery61Machine Learning-based Comprehensive Survey on Lithium-rich Cathode Materials9Hybrid zinc‐air battery ( ZAB ) with transition metal‐based electrocatalysts—A step toward next‐generation electrochemical energy storage19Modeling ionic conductivity and activation energy in garnet-structured solid electrolytes: The role of composition, grain boundaries and processing16Machine learning-based evaluation of functional characteristics of Li-rich layered oxide cathode materials using the data of XPS and XRD spectra16Na[Mn 0.36 Ni 0.44 Ti 0.15 Fe 0.05 ]O 2 predicted via machine learning for high energy Na-ion batteries15Novelty Detection in the Design of Synthesis of Energy Storage Materials: a Case Study of Garnet-Structured Solid Electrolytes1Application of machine learning‐based read‐across structure‐property relationship (RASPR) as a new tool for predictive modelling: Prediction of power conversion efficiency (PCE) for selected classes of organic dyes in dye‐sensitized solar cells (DSSCs)19Novelty detection in the design of synthesis of garnet-structured solid electrolytes6Recent advances in artificial intelligence boosting materials design for electrochemical energy storage124Efficiently preparing structure-controllable high entropy anodes via computation-guided sintering in an optimized flash furnace3Machine learning-accelerated discovery and design of electrode materials and electrolytes for lithium ion batteries93Input Consistency Regularization of Experimental Data for Modeling Functional Characteristics of A2M3O12${\rm A}_{2} {\rm M}_{3} {\rm O}_{12}$ Family of Compounds0Integrating artificial intelligence with electrochemical science for advanced energy storage9Toward sustainable batteries: comprehensive insights into cobalt-free lithium-rich manganese-based cathodes4Unlocking anion redox in the solid state: The path to high-energy all-solid-state batteries1Artificial intelligence-assisted design and optimization of electrode materials0Recent Progress in High‐Entropy Li‐Rich Cathodes for Advanced Lithium‐Ion Batteries0

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  1. Hybridizing Li@Mn6 and Sb@Ni6 superstructure units to tune the electrochemical performance of Li-rich layered oxides

    Nano Energy · 2020-07-10

    Yiwei Li, Lin Hua Xie, Ze Bao Zheng, Zu‐Wei Yin, Jianyuan Li, Mouyi Weng, Jiajie Liu, Jiangtao Hu, Kai Yang, Guoyu Qian, Bo Cao, Zhibo Li, Shenyang Xu, Wenguang Zhao, Shunning Li, Junliang Sun, Ming‐Jian Zhang, Feng Ming Pan

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  2. Accurate Control of Initial Coulombic Efficiency for Lithium‐rich Manganese‐based Layered Oxides by Surface Multicomponent Integration

    Angewandte Chemie International Edition · 2020-08-21

    Dong Luo, Xiaokai Ding, Jianming Fan, Zuhao Zhang, Peizhi Liu, Xiaohua Yang, Junjie Guo, Shuhui Sun, Zhan Lin

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  3. Accurate Control of Initial Coulombic Efficiency for Lithium‐rich Manganese‐based Layered Oxides by Surface Multicomponent Integration

    Angewandte Chemie · 2020-08-21

    Dong Luo, Xiaokai Ding, Jianming Fan, Zuhao Zhang, Peizhi Liu, Xiaohua Yang, Junjie Guo, Shuhui Sun, Zhan Lin

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  4. Towards efficient binders for silicon based lithium-ion battery anodes

    Chemical Engineering Journal · 2020-09-01

    Yajun Yang, Shuxing Wu, Yaping Zhang, Canbin Liu, Xiujuan Wei, Dong Luo, Zhan Lin

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  5. Designing positive electrodes with high energy density for lithium-ion batteries

    Journal of Materials Chemistry A · 2021-01-01

    Masashi Okubo, Seongjae Ko, Debasmita Dwibedi, Atsuo Yamada

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  6. Machine learning analysis of microwave dielectric properties for seven structure types: The role of the processing and composition

    Journal of Physics and Chemistry of Solids · 2021-05-24

    Natalia V. Kireeva, Vitaly P. Solov’ev

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  7. The data-intensive scientific revolution occurring where two-dimensional materials meet machine learning

    Cell Reports Physical Science · 2021-06-30

    Hang Yin, Zhehao Sun, Zhuo Wang, Dawei Tang, Cheng Heng Pang, Xue‐Feng Yu, Amanda Susan Barnard, Haitao Zhao, Zongyou Yin

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  8. Artificial Intelligence Applied to Battery Research: Hype or Reality?

    Chemical Reviews · 2021-09-16

    Teo Lombardo, Marc Duquesnoy, Hassna El-Bouysidy, Fabian Årén, A. Gallo‐Bueno, Peter Bjørn Jørgensen, Arghya Bhowmik, Arnaud Demortière, Elixabete Ayerbe, Francisco Alcaide, Marine Reynaud, Javier Carrasco, Alexis Grimaud, Chao Zhang, Tejs Vegge, Patrik Johansson, Alejandro A. Franco

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  9. Research on Recommendation of College Mental Health Teaching Materials Based on Improved Deep Learning Algorithm

    Wireless Communications and Mobile Computing · 2022-01-01

    Yunxia Zhou, Lei Li

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  10. Synthesis–structure relationships in Li- and Mn-rich layered oxides: phase evolution, superstructure ordering and stacking faults

    Dalton Transactions · 2022-01-01

    Ashok Sreekumar Menon, Said Khalil, Dickson O. Ojwang, Kristina Edström, Cesar Pay Gómez, William Robert Brant

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  11. Machine Learning Predicts the X-ray Photoelectron Spectroscopy of the Solid Electrolyte Interface of Lithium Metal Battery

    The Journal of Physical Chemistry Letters · 2022-08-22

    Qintao Sun, Yan Xiang, Yue Liu, Liang Xu, Tianle Leng, Yifan Ye, Alessandro Fortunelli, William A. Goddard, Tao Cheng

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  12. Machine Learning-based Comprehensive Survey on Lithium-rich Cathode Materials

    Electrochemistry · 2023-02-27

    Akihisa Tsuchimoto, Masashi Okubo, Atsuo Yamada

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  13. Hybrid zinc‐air battery ( ZAB ) with transition metal‐based electrocatalysts—A step toward next‐generation electrochemical energy storage

    Wiley Interdisciplinary Reviews Energy and Environment · 2023-03-15

    S. Tharani, D. Durgalakshmi, Aruna Kalasapurayil Kunhiraman, S. Balakumar, R. Ajay Rakkesh

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  14. Modeling ionic conductivity and activation energy in garnet-structured solid electrolytes: The role of composition, grain boundaries and processing

    Solid State Ionics · 2023-06-28

    Natalia V. Kireeva, Aslan Yu. Tsivadze, Vladislav S. Pervov

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  15. Machine learning-based evaluation of functional characteristics of Li-rich layered oxide cathode materials using the data of XPS and XRD spectra

    Computational Materials Science · 2023-10-30

    Natalia V. Kireeva, Vladislav S. Pervov, Aslan Yu. Tsivadze

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  16. Na[Mn 0.36 Ni 0.44 Ti 0.15 Fe 0.05 ]O 2 predicted via machine learning for high energy Na-ion batteries

    Journal of Materials Chemistry A · 2024-01-01

    Saaya Sekine, Tomooki Hosaka, Hayato Maejima, Ryoichi Tatara, Masanobu Nakayama, Shinichi Komaba

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  17. Novelty Detection in the Design of Synthesis of Energy Storage Materials: a Case Study of Garnet-Structured Solid Electrolytes

    ChemRxiv · 2024-01-09

    Natalia V. Kireeva, Aslan Yu. Tsivadze

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  18. Application of machine learning‐based read‐across structure‐property relationship (RASPR) as a new tool for predictive modelling: Prediction of power conversion efficiency (PCE) for selected classes of organic dyes in dye‐sensitized solar cells (DSSCs)

    Molecular Informatics · 2024-02-19

    Souvik Pore, Arkaprava Banerjee, Kunal Roy

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  19. Novelty detection in the design of synthesis of garnet-structured solid electrolytes

    Journal of Solid State Chemistry · 2024-03-21

    Natalia V. Kireeva, Aslan Yu. Tsivadze

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  20. Recent advances in artificial intelligence boosting materials design for electrochemical energy storage

    Chemical Engineering Journal · 2024-04-23

    X.-B. Liu, Kexin Fan, Xinmeng Huang, Jiankai Ge, Yujie Liu, Haisu Kang

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  21. Efficiently preparing structure-controllable high entropy anodes via computation-guided sintering in an optimized flash furnace

    Journal of Alloys and Compounds · 2024-06-22

    Yukun Li, Wenyuan Yang, Yan Zheng, Zhanqi Xing, Kaifeng Lu, Weiwei Zhang, Xiaohu Lin, Xiaoliang Wang, Gi Xue, Shaochuan Luo, Dongshan Zhou

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  22. Machine learning-accelerated discovery and design of electrode materials and electrolytes for lithium ion batteries

    Energy storage materials · 2024-08-13

    Guangsheng Xu, Mingxi Jiang, Jinliang Li, Jinliang Li, Xiaoyang Xuan, Jiabao Li, Jiabao Li, Ting Lu, Likun Pan

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  23. Input Consistency Regularization of Experimental Data for Modeling Functional Characteristics of A2M3O12${\rm A}_{2} {\rm M}_{3} {\rm O}_{12}$ Family of Compounds

    Advanced Theory and Simulations · 2025-04-22

    Natalia V. Kireeva, Aslan Yu. Tsivadze

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  24. Integrating artificial intelligence with electrochemical science for advanced energy storage

    Journal of Energy Storage · 2026-01-12

    А.А. Китык, Viliam Pavlik, Miroslav Hnatko

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  25. Toward sustainable batteries: comprehensive insights into cobalt-free lithium-rich manganese-based cathodes

    Materials Today · 2026-04-01

    Wenqing Yao, Xiaoyu Gao, Tao Zeng, Ziqin Jiao, Wenxin Tong, Guojie Chen, Ruhan He, Yuguang Pu, Wenhai Ji, Yuanyuan Wei, Yongbiao Mu, Jun Wang, Rui Adele H Wang, Yinguo Xiao

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  26. Unlocking anion redox in the solid state: The path to high-energy all-solid-state batteries

    Energy storage materials · 2026-05-27

    Shuo Sun, Jingchen Yuan, Zhiqiang Liu, Shuo Song, Henghua Yi, Meng Yang, Chuan Ding, Teng Zhai, Xiangyu Zhao

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  27. Artificial intelligence-assisted design and optimization of electrode materials

    Journal of Physics Conference Series · 2026-09-01

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  28. Recent Progress in High‐Entropy Li‐Rich Cathodes for Advanced Lithium‐Ion Batteries

    Small · 2026-09-28

    Jiaxin Li, Haotian Dong, Danfeng Jiang, Yixuan Liu, Haitao Zhang, Haitao Zhang

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