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RESEARCH PAPER · Chemistry of Materials · 2022

Retardation of Structure Densification by Increasing Covalency in Li-Rich Layered Oxide Positive Electrodes for Li-Ion Batteries

Anatolii V. Morozov, Ivan A. Moiseev, Aleksandra A. Savina, A.O. Boev, Dmitry A. Aksyonov, Leiting Zhang, Polina A. Morozova, Victoria A. Nikitina, Egor M. Pazhetnov, Erik J. Berg, Stanislav S. Fedotov, Jean‐Marie Tarascon, Evgeny V. Antipov, Artem M. Abakumov

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Retardation of Structure Densification by Increasing Covalency in Li-Rich Layered Oxide Positive Electrodes for Li-Ion BatteriesOriginalHalides (Cl, F, and Br) encapsulated Ga12As12 nanocages used to improve the cell voltage for enhanced battery performance54Limiting voltage and capacity fade of lithium-rich, low cobalt Li 1.2 Ni 0.13 Mn 0.54 Fe 0.1 Co 0.03 O 2 by controlling the upper cut-off voltage7Computational insights into ionic conductivity of transition metal electrode materials for metal-ion batteries - A review36Regulating the Unhybridized O 2p Orbitals of High‐Performance Li‐Rich Mn‐Based Layered Oxide Cathode by Gd‐Doping Induced Bulk Oxygen Vacancies49A Mechanistic Insight into the Oxygen Redox of Li‐Rich Layered Cathodes and their Related Electronic/Atomic Behaviors Upon Cycling145Quantifying Effects of Ligand–Metal Bond Covalency on Oxygen-Redox Electrochemistry in Layered Oxide Cathodes1Anionic Redox in Rechargeable Batteries: Mechanism, Materials, and Characterization39Understanding the Activation of Anionic Redox Chemistry in Ti4+-Substituted Li2MnO3 as a Cathode Material for Li-Ion Batteries5The feasibility of BeP2 monolayer as an anode material for Mg-ion batteries: A density functional theory study16Potential-Controlled Switchable-Resistance Polymer Layer for Enhanced Safety of Lithium-Ion Batteries with NMC-Type Cathodes10Enhancing Structure Stability by Mg/Cr Co‐Doped for High‐Voltage Sodium‐Ion Batteries28Novel Low-Strain Layered/Rocksalt Intergrown Cathode for High-Energy Li-Ion Batteries11Can the BeP2 monolayers be used as anode materials in Ca-ion batteries? justification by DFT study6On the Elusive Crystallography of Lithium‐Rich Layered Oxides: Novel Structural Models18Characteristics, materials, and performance of Ru-containing oxide cathode materials for rechargeable batteries44Advances and perspectives in understanding the structure-redox relationship of layered Li-Co-Ni-Mn oxide cathode materials20Stabilized high-voltage operation of Co-free NMX cathode via CEI-controlling19Interface Engineering via Constructing Enhanced Ligand Enables Highly Stable Li‐Rich Layered Oxide Cathode39Origin of surface segregation in LiCoO2 : A DFT+U study5Enhancing Orbital Interaction in Spinel LiNi 0.5 Mn 1.5 O 4 Cathode for High‐Voltage and High‐Rate Li‐Ion Batteries33Lattice and Local Electronic Structure Modulation Enables Ultra-Long-Life Li-Rich Cathode Materials35A Hydridoaluminate Additive Producing a Protective Coating on Ni‐Rich Cathode Materials in Lithium‐Ion Batteries15Enhancement of La–Ti modification on the conductivity and stability of Co-free Li- and Mn-rich layered cathode12Layered P2-type Na2/3Ni1/3Mn2/3O2: conductivity and electrochemical characteristics4Differential phase contrast STEM image calculation software – Magnifier3Cation order and disorder in cathode materials for Li-ion batteries7Degradation, Intrinsic Microstrains, and Phase Structure Engineering in Lithium-Rich Oxide Cathode Materials13Investigation on graphdiyne electrode material for intercalation batteries, namely Ca-ion batteries: Computational study3Towards High‐Performance Li‐Rich Cathode Materials: from Morphology Design to Electronic Structure Modulation15Chemical compatibility at the interface of garnet-type Ga-LLZO solid electrolyte and high-energy Li-rich layered oxide cathode for all-solid-state batteries15Local chemical environment and Na-ion diffusion behavior of O3-type NaNi1/3Mn1/3Fe1/3O2 cathode for Na-ion batteries from first-principles study12Lithium rich layered oxide: exploring structural integrity, electrochemical behavior, performance failures and enhancement strategies through doping and coating17One-step fabrication of self-supported MnCo2O4-reduced graphene oxide-based anodes for the alkaline oxygen evolution reaction8Li-rich Mn-based cathode materials for next-generation Batteries: Degradation mechanisms, mitigation strategies, and advances toward solid-state batteries4Reactive selenium induced near‐surface reconstruction to stabilize high‐voltage, cobalt‐free cathodes for high‐rate, long‐cycling lithium batteries5Transition metal crosstalk in high-voltage Li-ion batteries from fundamental mechanisms to mitigation strategies0Electrolyte engineering toward high-energy-density lithium-ion batteries with high-voltage Li-rich layered oxide cathodes8First-principles and machine-learning guided identification of FeB4 and MnB4 as high-capacity anodes for magnesium-ion batteries0Controlled Cooling‐Induced Modulation of Transition Metal‐Oxygen Covalency for Mitigating Electrochemical Performance Degradation in Lithium‐ and Manganese‐Rich Layered Oxide Cathodes0Revisiting Deep Delithiation of LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) Cathode Materials0Oxygen-Buffering Oxides Stabilize Li 2 RuO 3 by Suppressing Redox-Driven Nanoparticle Migration0

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  1. Halides (Cl, F, and Br) encapsulated Ga12As12 nanocages used to improve the cell voltage for enhanced battery performance

    Journal of Physics and Chemistry of Solids · 2022-12-14

    Mohsen Doust Mohammadi, Faheem Abbas, Hitler Louis, Ismail O. Amodu

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  2. Limiting voltage and capacity fade of lithium-rich, low cobalt Li 1.2 Ni 0.13 Mn 0.54 Fe 0.1 Co 0.03 O 2 by controlling the upper cut-off voltage

    RSC Advances · 2023-01-01

    Nabil El Halya, Mohamed Kerroumi, Elhoucine Elmaataouy, Amina Amarray, Mohamed Aqil, Jones Alami, Mouad Dahbi

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  3. Computational insights into ionic conductivity of transition metal electrode materials for metal-ion batteries - A review

    Solid State Ionics · 2023-02-22

    Dmitry A. Aksyonov, A.O. Boev, Stanislav S. Fedotov, Artem M. Abakumov

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  4. Regulating the Unhybridized O 2p Orbitals of High‐Performance Li‐Rich Mn‐Based Layered Oxide Cathode by Gd‐Doping Induced Bulk Oxygen Vacancies

    Advanced Functional Materials · 2023-03-03

    Jia Xu, Jing Wan, Wen Zhang, Yuyu Li, Fangyuan Cheng, Zexiao Cheng, Yue Xu, Shixiong Sun, Qing Li, Chun Fang, Jiantao Han

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  5. A Mechanistic Insight into the Oxygen Redox of Li‐Rich Layered Cathodes and their Related Electronic/Atomic Behaviors Upon Cycling

    Advanced Materials · 2023-03-15

    S.B. Kang, Dayeon Choi, Hakwoo Lee, Byung‐Jin Choi, Yong‐Mook Kang

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  6. Quantifying Effects of Ligand–Metal Bond Covalency on Oxygen-Redox Electrochemistry in Layered Oxide Cathodes

    Inorganic Chemistry · 2023-04-28

    Jianyue Jiao, Hongquan Song, Enyue Zhao, Wen Yin, Xiaoling Xiao

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  7. Anionic Redox in Rechargeable Batteries: Mechanism, Materials, and Characterization

    Advanced Functional Materials · 2023-06-17

    Tianwei Cui, Xiang Li, Yongzhu Fu

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  8. Understanding the Activation of Anionic Redox Chemistry in Ti4+-Substituted Li2MnO3 as a Cathode Material for Li-Ion Batteries

    ACS Applied Energy Materials · 2023-06-23

    Andreas Paulus, Mylène Hendrickx, Selma Mayda, Maria Batuk, Gunter Reekmans, Miriam von Holst, Ken Elen, Artem M. Abakumov, Peter Adriaensens, D. Lamoen, B. Partoens, Joke Hadermann, Marlies K. Van Bael, An T. Hardy

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  9. The feasibility of BeP2 monolayer as an anode material for Mg-ion batteries: A density functional theory study

    Computational and Theoretical Chemistry · 2023-07-17

    Manal A. Abbood, Yehya M. Ahmed, Subhash Chandra, Salema K. Hadrawi, Akram Hatem Shather, Hamza Jasim Albazoni, Abdelmajeed Adam Lagum, Mustafa Mohammed Kadhim

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  10. Potential-Controlled Switchable-Resistance Polymer Layer for Enhanced Safety of Lithium-Ion Batteries with NMC-Type Cathodes

    ACS Applied Energy Materials · 2023-11-02

    Evgenii V. Beletskii, Alexey I. Volkov, Elena V. Alekseeva, Dmitrii V. Anishchenko, Alexander S. Konev, Oleg V. Levin

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  11. Enhancing Structure Stability by Mg/Cr Co‐Doped for High‐Voltage Sodium‐Ion Batteries

    Small · 2023-11-08

    Xiaoqian Xu, Sijiang Hu, Qichang Pan, Youguo Huang, Jingchao Zhang, Yanan Chen, Hongqiang Wang, Fenghua Zheng, Qingyu Li

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  12. Novel Low-Strain Layered/Rocksalt Intergrown Cathode for High-Energy Li-Ion Batteries

    ACS Applied Materials & Interfaces · 2023-11-16

    Lifeng Xu, Shi Chen, Yuefeng Su, Xing Shen, Jizhuang He, Maxim Avdeev, Wang Hay Kan, Bin Zhang, Weifeng Fan, Lai Chen, Duanyun Cao, Yun Lu, Lian Wang, Meng Wang, Liying Bao, Liang Zhang, Ning Li, Feng Wu

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  13. Can the BeP2 monolayers be used as anode materials in Ca-ion batteries? justification by DFT study

    Inorganic Chemistry Communications · 2023-11-27

    Rusul Alabada, Gabriel Moreano, Ángel Guamán, Anupam Yadav, Marcos Barahona, Janneth Alejandra Viñán Villagrán, Atul Makrariya, Mohamed Jamal Saadh, Yasser Elmasry

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  14. On the Elusive Crystallography of Lithium‐Rich Layered Oxides: Novel Structural Models

    Small Methods · 2024-01-02

    Arcangelo Celeste, Mariarosaria Tuccillo, Ashok Sreekumar Menon, William Robert Brant, Daniel Brandell, Vittorio Pellegrini, Rosaria Brescia, Laura Silvestri, Sergio Brutti

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  15. Characteristics, materials, and performance of Ru-containing oxide cathode materials for rechargeable batteries

    eScience · 2024-02-01

    Tianwei Cui, Xiang Li, Yongzhu Fu

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  16. Advances and perspectives in understanding the structure-redox relationship of layered Li-Co-Ni-Mn oxide cathode materials

    Progress in Materials Science · 2024-02-09

    Zhenxing Wang, Linqing Li, Linqing Li, Zhenhua Sun, Pei Tang, Guangjian Hu, Jun Zhe Tan, Feng Li

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  17. Stabilized high-voltage operation of Co-free NMX cathode via CEI-controlling

    Energy storage materials · 2024-02-22

    Myungeun Choi, Hyunbong Choi, SangWoo Park, Won Mo Seong, Yongseok Lee, Wonseok Ko, Min Kyung Cho, Jinho Ahn, Youngsun Kong, Jongsoon Kim

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  18. Interface Engineering via Constructing Enhanced Ligand Enables Highly Stable Li‐Rich Layered Oxide Cathode

    Advanced Functional Materials · 2024-03-21

    Tao Zeng, Maolin Yang, Fu-Chang Sun, Zhongyuan Huang, Wenguang Zhao, Ziwei Chen, Dongwen Zou, Jimin Qiu, Lu Wang, Rui Wang, Chaohong Zhang, Tingting Yang, Wenhai Ji, Juping Xu, Wen Yin, Rui Li, Hong Fu Meng, Yinguo Xiao

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  19. Origin of surface segregation in LiCoO2 : A DFT+U study

    Physical Review Materials · 2024-05-13

    A.O. Boev, M. Yu. Arsent’ev, Stanislav S. Fedotov, Artem M. Abakumov, Dmitry A. Aksyonov

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  20. Enhancing Orbital Interaction in Spinel LiNi 0.5 Mn 1.5 O 4 Cathode for High‐Voltage and High‐Rate Li‐Ion Batteries

    Small · 2024-05-28

    Tianji Fu, Yujie Li, Ziqing Yao, Tongsen Guo, Shuangke Liu, Zhongxue Chen, Chunman Zheng, Weiwei Sun

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  21. Lattice and Local Electronic Structure Modulation Enables Ultra-Long-Life Li-Rich Cathode Materials

    ACS Energy Letters · 2024-06-06

    Xiao Dong Han, Renkang Wu, Guiyang Gao, Jiantao Li, Mengjian Fan, Shihao Wang, Yuanyuan Liu, Saichao Li, Liang Lin, Yinggan Zhang, Baisheng Sa, Jie Lin, Laisen Wang, Dong‐Liang Peng, Qingshui Xie, Khalil Amine

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  22. A Hydridoaluminate Additive Producing a Protective Coating on Ni‐Rich Cathode Materials in Lithium‐Ion Batteries

    Advanced Energy Materials · 2024-06-12

    Juan Forero‐Saboya, Ivan A. Moiseev, Marina-Lamprini Vlara, Dominique Foix, Michaël Deschamps, Artem M. Abakumov, Jean‐Marie Tarascon, Sathiya Mariyappan

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  23. Enhancement of La–Ti modification on the conductivity and stability of Co-free Li- and Mn-rich layered cathode

    Journal of Power Sources · 2024-06-12

    Wei Liu, Xin Geng, Hailong Wang, Jing Chen, Chenyang Wang, Nian Zhang, Ahmed M. Hashem, Wei Chu, Xin He

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  24. Layered P2-type Na2/3Ni1/3Mn2/3O2: conductivity and electrochemical characteristics

    Ionics · 2024-08-06

    Svetlana Novikova, Dmitry Kabanov, Е. В. Ковтушенко, Tatiana L. Kulova, A. B. Yaroslavtsev

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  25. Differential phase contrast STEM image calculation software – Magnifier

    Ultramicroscopy · 2024-08-22

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  26. Cation order and disorder in cathode materials for Li-ion batteries

    Next Materials · 2024-12-03

    Yue Zhou, Jiaqiang Huang, Biao Li

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  27. Degradation, Intrinsic Microstrains, and Phase Structure Engineering in Lithium-Rich Oxide Cathode Materials

    ACS Energy Letters · 2024-12-03

    Jiantuo Gan, Zhijun Wu, Chao Zheng, Fulai Qi, Chenchen Li, Liaona She, Yong Liang Gao, Zhenglong Li, Wenping Sun, Yongfeng Liu, Mingxia Gao, Yinzhu Jiang, Shengnan He, Yaxiong Yang, Hongge Pan

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  28. Investigation on graphdiyne electrode material for intercalation batteries, namely Ca-ion batteries: Computational study

    Inorganic Chemistry Communications · 2024-12-07

    Khidhair Jasim Mohammed, Adil Ismael Mohammed, Pawan Sharma, Prakash Kanjariya, I.A Ariffin, Ankur Kulshreshta, B. Ramesh, Uday Raheja, Abdulrahman Abdulaziz Almehizia

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  29. Towards High‐Performance Li‐Rich Cathode Materials: from Morphology Design to Electronic Structure Modulation

    Small · 2024-12-15

    Jing‐Zhe Wan, Chao Ma, Jie‐Sheng Chen, Kai‐Xue Wang

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  30. Chemical compatibility at the interface of garnet-type Ga-LLZO solid electrolyte and high-energy Li-rich layered oxide cathode for all-solid-state batteries

    Scientific Reports · 2025-01-02

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  31. Local chemical environment and Na-ion diffusion behavior of O3-type NaNi1/3Mn1/3Fe1/3O2 cathode for Na-ion batteries from first-principles study

    Journal of Energy Storage · 2025-03-29

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  32. Lithium rich layered oxide: exploring structural integrity, electrochemical behavior, performance failures and enhancement strategies through doping and coating

    Energy storage materials · 2025-05-14

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  33. One-step fabrication of self-supported MnCo2O4-reduced graphene oxide-based anodes for the alkaline oxygen evolution reaction

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  34. Li-rich Mn-based cathode materials for next-generation Batteries: Degradation mechanisms, mitigation strategies, and advances toward solid-state batteries

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  35. Reactive selenium induced near‐surface reconstruction to stabilize high‐voltage, cobalt‐free cathodes for high‐rate, long‐cycling lithium batteries

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  36. Transition metal crosstalk in high-voltage Li-ion batteries from fundamental mechanisms to mitigation strategies

    Energy & Environmental Science · 2026-01-01

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  37. Electrolyte engineering toward high-energy-density lithium-ion batteries with high-voltage Li-rich layered oxide cathodes

    Materials Science and Engineering R Reports · 2026-01-05

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  38. First-principles and machine-learning guided identification of FeB4 and MnB4 as high-capacity anodes for magnesium-ion batteries

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  39. Controlled Cooling‐Induced Modulation of Transition Metal‐Oxygen Covalency for Mitigating Electrochemical Performance Degradation in Lithium‐ and Manganese‐Rich Layered Oxide Cathodes

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  40. Revisiting Deep Delithiation of LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) Cathode Materials

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  41. Oxygen-Buffering Oxides Stabilize Li 2 RuO 3 by Suppressing Redox-Driven Nanoparticle Migration

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