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RESEARCH PAPER · Chemistry of Materials · 2022

Understanding the Fluorination of Disordered Rocksalt Cathodes through Rational Exploration of Synthesis Pathways

Nathan J. Szymanski, Yan Zeng, Tyler H. Bennett, Shripad Patil, Jong Kahk Keum, Ethan Craig Self, Jianming Bai, Zijian Cai, Raynald A. Giovine, Bin Ouyang, Feng Wang, Christopher J. Bartel, Raphaële J. Clément, Wei Tong, Jagjit Nanda, Gerbrand Ceder

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Understanding the Fluorination of Disordered Rocksalt Cathodes through Rational Exploration of Synthesis PathwaysOriginalAlternate Synthesis Method for High‐Performance Manganese Rich Cation Disordered Rocksalt Cathodes52Understanding the limits to short-range order suppression in many-component disordered rock salt lithium-ion cathode materials32Phase Transition Induced Enhanced Performance of Sodium-Rich Na 1.2 Mn 0.8 O 2– y F y ( y = 0–0.5) Cathodes16Towards commercialization of fluorinated cation-disordered rock-salt Li-ion cathodes14Rapid and Energy‐Efficient Synthesis of Disordered Rocksalt Cathodes52Autonomous decision making for solid-state synthesis of inorganic materials1A New Class of High‐Capacity Fe‐Based Cation‐Disordered Oxide for Li‐Ion Batteries: Li‐Fe‐Ti‐Mo Oxide9Microwave Dielectric Properties of Li3TiO3F Oxyfluorides Ceramics21Modeling Short-Range Order in Disordered Rocksalt Cathodes by Pair Distribution Function Analysis39Enhanced Electrochemical Performance of Disordered Rocksalt Cathodes Enabled by a Graphite Conductive Additive21Data driven design of compositionally complex energy materials13Prediction of Van Hove singularity systems in ternary borides10Autonomous and dynamic precursor selection for solid-state materials synthesis47Defects go green: using defects in nanomaterials for renewable energy and environmental sustainability10Direct Mapping of Fluorine in Cation Disordered Rocksalt Cathodes11Exploring the Properties of Disordered Rocksalt Battery Cathode Materials by Advanced Characterization33An Experimental Approach to Assess Fluorine Incorporation into Disordered Rock Salt Oxide Cathodes17Computationally Guided Synthesis of Battery Materials11The Limited Incorporation and Role of Fluorine in Mn-rich Disordered Rocksalt Cathodes31Quantifying the regime of thermodynamic control for solid-state reactions during ternary metal oxide synthesis27Direct Lithium Extraction from α-Spodumene through Solid-State Reactions for Sustainable Li2CO3 Production29Accelerated Exploration of Empty Material Compositional Space: Mg–Fe–B Ternary Metal Borides8Data-Driven Theoretical Design of Anion Cluster-Based Sodium Antiperovskite Superionic Conductors5Exploring a new synthesis route to lithium-excess disordered rock salt (DRX) cathode materials12Screening and Development of Sacrificial Cathode Additives for Lithium‐Ion Batteries17Alternative Solid‐State Synthesis Route for Highly Fluorinated Disordered Rock‐Salt Cathode Materials for High‐Energy Lithium‐Ion Batteries12Disordered Rocksalts as High‐Energy and Earth‐Abundant Li‐Ion Cathodes43Reaction Mechanism of the Synthesis of a Disordered Rock Salt Cathode Material7Fluorinated Rocksalt‐Polyanion Cathode for Lithium‐Ion Batteries5Non‐Equilibrium Manufacturing for High‐Energy‐Input Solid‐State Battery Materials6Fluorination-promoted structural evolution and enhanced electrochemical performance in low Li-excess manganese-based cation-disordered rocksalt cathodes1Developing low-cost rechargeable batteries: beyond traditional layered oxide cathodes for Li-ion and beyond Li-ion batteries2Disordered Rock-Salt Oxide Cathode for Next-Generation Energy Storage0Molybdenum-Driven Dual Redox Regulation to Boost Capacity and Stability of Manganese-Based Cation-Disordered Rock-Salt Cathodes1Structural and electrochemical properties of Mn-based DRX cathodes via metal composition control0Chlorine Substitution in Disordered Rock Salt Li-Rich Transition Metal Sulfides1In Situ X-ray Diffraction during Ball Milling Reveals Poorly Crystalline Metastable Intermediates during the Formation of Disordered Rocksalt Oxyfluorides1From synthesis to characterization: Advancing disordered rocksalts for cobalt-free lithium-ion batteries1Phase Transformation Enables Stable Cycling and Fast Charging of Cation-Disordered Rocksalt Cathodes0Identifying Lithium Percolation Network Connectivity Induced by Fluorination in Mn-Based Disordered Rocksalt Cathodes1Degradation Mechanisms of Fluorinated Disordered Rocksalt Cathodes: Effects of Electrolyte Chemistry and Discharge Voltage0Chemical Characteristics Driving Formability in Li-Excess Disordered Rocksalt Cathodes0Molybdenum-driven dual redox regulation to improve capacity and stability of manganese-based cation-disordered rock-salt cathodes0

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  1. Alternate Synthesis Method for High‐Performance Manganese Rich Cation Disordered Rocksalt Cathodes

    Advanced Energy Materials · 2022-12-13

    Shripad Patil, Devendrasinh Darbar, Ethan Craig Self, Thomas F. Malkowski, Vincent C. Wu, Raynald A. Giovine, Nathan J. Szymanski, Rebecca D. McAuliffe, Bo Jiang, Jong Kahk Keum, Krishna Prasad Koirala, Bin Ouyang, Katharine Lynn Page, Chongmin Wang, Gerbrand Ceder, Raphaële J. Clément, Jagjit Nanda

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  2. Understanding the limits to short-range order suppression in many-component disordered rock salt lithium-ion cathode materials

    Journal of Materials Chemistry A · 2023-01-01

    Alexander G. Squires, David O. Scanlon

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  3. Phase Transition Induced Enhanced Performance of Sodium-Rich Na 1.2 Mn 0.8 O 2– y F y ( y = 0–0.5) Cathodes

    ACS Applied Energy Materials · 2023-01-06

    Bala Krishnan Ganesan, Yun‐Sung Lee

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  4. Towards commercialization of fluorinated cation-disordered rock-salt Li-ion cathodes

    Frontiers in Chemistry · 2023-01-12

    Gi‐Hyeok Lee, Jungwoo Lim, Jeongyim Shin, Laurence J. Hardwick, Wanli Yang

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  5. Rapid and Energy‐Efficient Synthesis of Disordered Rocksalt Cathodes

    Advanced Energy Materials · 2023-01-25

    Vincent C. Wu, Hayden A. Evans, Raynald A. Giovine, Molleigh B. Preefer, Julia Ong, Eric Yoshida, Pierre‐Etienne Cabelguen, Raphaële J. Clément

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  6. Autonomous decision making for solid-state synthesis of inorganic materials

    arXiv (Cornell University) · 2023-04-19

    Nathan J. Szymanski, Pragnay Nevatia, Christopher J. Bartel, Yan Zeng, Gerbrand Ceder

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  7. A New Class of High‐Capacity Fe‐Based Cation‐Disordered Oxide for Li‐Ion Batteries: Li‐Fe‐Ti‐Mo Oxide

    Advanced Science · 2023-04-23

    Jieun Kim, Yongho Shin, Byoungwoo Kang

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  8. Microwave Dielectric Properties of Li3TiO3F Oxyfluorides Ceramics

    Crystals · 2023-05-31

    Guoguang Yao, Jiuyan Zhao, Ya Lü, Hongkai Liu, Cuijin Pei, Qian Ding, Miao Chen, Yaming Zhang, Ding Li, Fu Wang

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  9. Modeling Short-Range Order in Disordered Rocksalt Cathodes by Pair Distribution Function Analysis

    Chemistry of Materials · 2023-06-19

    Nathan J. Szymanski, Zhengyan Lun, Jue Liu, Ethan Craig Self, Christopher J. Bartel, Jagjit Nanda, Bin Ouyang, Gerbrand Ceder

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  10. Enhanced Electrochemical Performance of Disordered Rocksalt Cathodes Enabled by a Graphite Conductive Additive

    ACS Applied Materials & Interfaces · 2023-08-11

    Shripad A. Patil, Krishna Prasad Koirala, Matthew J. Crafton, Guang Hua Yang, Wan‐Yu Tsai, Bryan D. McCloskey, Chongmin Wang, Jagjit Nanda, Ethan Craig Self

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  11. Data driven design of compositionally complex energy materials

    Computational Materials Science · 2023-09-30

    Lin Wang, Zhengda He, Bin Ouyang

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  12. Prediction of Van Hove singularity systems in ternary borides

    npj Computational Materials · 2023-10-28

    Yang Sun, Zhen Zhang, Andrew P. Porter, Kirill A. Kovnir, Kai‐Ming Ho, Vladimir Antropov

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  13. Autonomous and dynamic precursor selection for solid-state materials synthesis

    Nature Communications · 2023-10-31

    Nathan J. Szymanski, Pragnay Nevatia, Christopher J. Bartel, Yan Zeng, Gerbrand Ceder

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  14. Defects go green: using defects in nanomaterials for renewable energy and environmental sustainability

    Frontiers in Nanotechnology · 2023-11-16

    Addis Fuhr, Bobby G. Sumpter, Panchapakesan Ganesh

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  15. Direct Mapping of Fluorine in Cation Disordered Rocksalt Cathodes

    ACS Energy Letters · 2023-11-30

    Krishna Prasad Koirala, Lin Jiang, Shripad Patil, Paolo Longo, Zhao Liu, Bert H. Freitag, Juri Barthel, Ethan Craig Self, Yingge Du, Lee Pullan, Ted Tessner, Leslie J. Allen, Wu Xu, Wei Tong, Jagjit Nanda, Chongmin Wang

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  16. Exploring the Properties of Disordered Rocksalt Battery Cathode Materials by Advanced Characterization

    Advanced Functional Materials · 2024-02-05

    Roujia Chen, Chu Lun Alex Leung, Chun Huang

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  17. An Experimental Approach to Assess Fluorine Incorporation into Disordered Rock Salt Oxide Cathodes

    Chemistry of Materials · 2024-04-03

    Raynald A. Giovine, Eric Yoshida, Vincent C. Wu, Yuefan Ji, Matthew J. Crafton, Bryan D. McCloskey, Raphaële J. Clément

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  18. Computationally Guided Synthesis of Battery Materials

    ACS Energy Letters · 2024-05-22

    Nathan J. Szymanski, Christopher J. Bartel

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  19. The Limited Incorporation and Role of Fluorine in Mn-rich Disordered Rocksalt Cathodes

    ACS Energy Letters · 2024-05-30

    Vincent C. Wu, Peichen Zhong, Julia Ong, Eric Yoshida, Andrew H. Kwon, Gerbrand Ceder, Raphaële J. Clément

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  20. Quantifying the regime of thermodynamic control for solid-state reactions during ternary metal oxide synthesis

    Science Advances · 2024-07-03

    Nathan J. Szymanski, Young‐Woon Byeon, Yingzhi Sun, Yan Zeng, Jianming Bai, Martin Kunz, Dong‐Min Kim, Brett A. Helms, Christopher J. Bartel, Haegyeom Kim, Gerbrand Ceder

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  21. Direct Lithium Extraction from α-Spodumene through Solid-State Reactions for Sustainable Li2CO3 Production

    Inorganic Chemistry · 2024-07-09

    Shilong Wang, Nathan J. Szymanski, Yuxing Fei, Wenming Dong, John N. Christensen, Yan Zeng, Michael Whittaker, Gerbrand Ceder

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  22. Accelerated Exploration of Empty Material Compositional Space: Mg–Fe–B Ternary Metal Borides

    Journal of the American Chemical Society · 2024-11-20

    Zhen Zhang, Shiya Chen, Feng Zheng, Vladimir Antropov, Yang Sun, Kai‐Ming Ho

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  23. Data-Driven Theoretical Design of Anion Cluster-Based Sodium Antiperovskite Superionic Conductors

    ACS Applied Materials & Interfaces · 2024-12-12

    Chaohong Guan, Huirong Jing, Yu Pu Yang, Runxin Ouyang, Hong Min Zhu

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  24. Exploring a new synthesis route to lithium-excess disordered rock salt (DRX) cathode materials

    Materials Advances · 2025-01-01

    Matthew S. Chambers, Tianyu Li, Zhilin Liang, Jong Kahk Keum, Kevin H. Stone, Raphaële J. Clément, Beth L. Armstrong, Ethan Craig Self

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  25. Screening and Development of Sacrificial Cathode Additives for Lithium‐Ion Batteries

    Advanced Energy Materials · 2025-02-02

    Haegyeom Kim, KyuJung Jun, Nathan J. Szymanski, Venkata Sai Avvaru, Zijian Cai, Matthew J. Crafton, Gi‐Hyeok Lee, Stephen E. Trask, Finn Babbe, Young‐Woon Byeon, Peichen Zhong, Donghun Lee, Byungchun Park, Wangmo Jung, Bryan D. McCloskey, Wanli Yang

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  26. Alternative Solid‐State Synthesis Route for Highly Fluorinated Disordered Rock‐Salt Cathode Materials for High‐Energy Lithium‐Ion Batteries

    Advanced Energy Materials · 2025-04-08

    Venkata Sai Avvaru, Tianyu Li, Gi‐Hyeok Lee, Young‐Woon Byeon, Krishna Prasad Koirala, Otávio José Bandeira Jovino Marques, Bernardine L. D. Rinkel, Yanbao Fu, David Milsted, Seonghun Jeong, Nathan J. Szymanski, Martin Kunz, Finn Babbe, Eunryeol Lee, Vincent Battaglia, Bryan D. McCloskey, Johanna Nelson Weker, Chongmin Wang, Wanli Yang, Raphaële J. Clément, Haegyeom Kim

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  27. Disordered Rocksalts as High‐Energy and Earth‐Abundant Li‐Ion Cathodes

    Advanced Materials · 2025-05-06

    Han‐Ming Hau, Tucker Holstun, Eunryeol Lee, Bernardine L. D. Rinkel, Tara Prasad Mishra, Max Markuson DiPrince, Rohith Srinivaas Mohanakrishnan, Ethan Craig Self, Kristin Aslaug Persson, Bryan D. McCloskey, Gerbrand Ceder

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  28. Reaction Mechanism of the Synthesis of a Disordered Rock Salt Cathode Material

    Chemistry of Materials · 2025-05-30

    Zhilin Liang, Otávio José Bandeira Jovino Marques, Oscar A. Paredes Mellone, Sikhumbuzo M. Masina, Chi L. Cao, Dimosthenis Sokaras, Johanna Nelson Weker, Kevin H. Stone

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  29. Fluorinated Rocksalt‐Polyanion Cathode for Lithium‐Ion Batteries

    Interdisciplinary materials · 2025-10-08

    Yimeng Huang, Yaoshen Niu, Zhen Zhang, Zihan Lin, Weiyin Chen, Vivienne Yiwei Liu, Iradwikanari Waluyo, Adrian H. Hunt, Xianghui Xiao, Yanhao Dong, Ju Li

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  30. Non‐Equilibrium Manufacturing for High‐Energy‐Input Solid‐State Battery Materials

    Advanced Materials · 2025-11-04

    Hao Shen, Zhanhui Jia, Yuyang Zhang, Shenghua Chen, Zhenxin Huang, Fei-er Shangguan, Sujia Yan, Tianyi Zhang, Kai Chen, Weijiang Xue, Yuping Wu, Wei Tang, Ya‐Ling He

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  31. Fluorination-promoted structural evolution and enhanced electrochemical performance in low Li-excess manganese-based cation-disordered rocksalt cathodes

    Journal of Solid State Electrochemistry · 2025-11-11

    Yan Mei Yu, Minyi Su, Hengxin Yu, Yining Sun, Qing Chang, Songdong Yuan, Guodong Jiang

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  32. Developing low-cost rechargeable batteries: beyond traditional layered oxide cathodes for Li-ion and beyond Li-ion batteries

    Chemical Communications · 2025-11-27

    Harshita Lohani, Venkata Sai Avvaru, Seonghun Jeong, Haegyeom Kim

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  33. Disordered Rock-Salt Oxide Cathode for Next-Generation Energy Storage

    ENGINEERING Transformative Materials · 2026-01-01

    Ning Xue, Wei Liu

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  34. Molybdenum-Driven Dual Redox Regulation to Boost Capacity and Stability of Manganese-Based Cation-Disordered Rock-Salt Cathodes

    SSRN Electronic Journal · 2026-01-01

    PanPan Wang, Dan Nie, Long Wang, Fu‐Da Yu, Yi Zhong, Tao Lin, Han Liu, Xu‐Lei Sui, Gang Sun, Zhen‐Bo Wang

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  35. Structural and electrochemical properties of Mn-based DRX cathodes via metal composition control

    RSC Advances · 2026-01-01

    Hyeonji Jeong, Yeonwoo Kang, Sungjun Kwak, Dae Hong Jeong, Myeong Geun Cha, Ayeong Byeon

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  36. Chlorine Substitution in Disordered Rock Salt Li-Rich Transition Metal Sulfides

    Chemistry of Materials · 2026-03-27

    Michael A. Spencer, Nguyen Quan Dao, Taegyu Yun, Juan Forero‐Saboya, German Lavygin, Raj Pandya, Marie‐Liesse Doublet, Alexis Grimaud

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  37. In Situ X-ray Diffraction during Ball Milling Reveals Poorly Crystalline Metastable Intermediates during the Formation of Disordered Rocksalt Oxyfluorides

    Journal of the American Chemical Society · 2026-04-15

    Mikkel Juelsholt, Laura Glei Graversen, Lakshmi Bhai, Asya Svirinovsky-Arbeli, Susie Park, Tara DuBridge, Sebastian Leiting, Martin A. Karlsen, Martin Etter, Marcella Lusardi, Claudia Weidenthaler, Lauren E. Marbella

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  38. From synthesis to characterization: Advancing disordered rocksalts for cobalt-free lithium-ion batteries

    Journal of Power Sources · 2026-04-30

    Antonio De Marco, Quentin Deville, Catia Arbizzani

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  39. Phase Transformation Enables Stable Cycling and Fast Charging of Cation-Disordered Rocksalt Cathodes

    ACS Applied Materials & Interfaces · 2026-06-22

    Ji Qian, Di Huang, Yang Ha, Krishna Prasad Koirala, Inhui Hwang, Cheng‐Jun Sun, Chongmin Wang, Wanli Yang, Wei Tong

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  40. Identifying Lithium Percolation Network Connectivity Induced by Fluorination in Mn-Based Disordered Rocksalt Cathodes

    Chemistry of Materials · 2026-07-20

    J H Lee, J H Lee, Keun Hwa Chae, Sungjun Kwak, Hyeonji Jeong, Won Chan Yun, Jong Min Kim, Dae Hong Jeong, J H Lee, J H Lee, Myeong Geun Cha, Ayeong Byeon

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  41. Degradation Mechanisms of Fluorinated Disordered Rocksalt Cathodes: Effects of Electrolyte Chemistry and Discharge Voltage

    ACS Applied Materials & Interfaces · 2026-08-24

    Ridwan Ahmed, Gi‐Hyeok Lee, Eitan Hershkovitz, Tianyu Li, Yanbao Fu, Isik Su Buyuker, Mateusz Jan Zuba, Özgenur Kahvecioğlu, Vincent Battaglia, Raphaële J. Clément, Wanli Yang, Chongmin Wang, Wu Xu

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  42. Chemical Characteristics Driving Formability in Li-Excess Disordered Rocksalt Cathodes

    Chemistry of Materials · 2026-10-06

    John D. Langhout, Jennifer A. Perez, Adam A. Corrao, Joyce Kim, Nicole Vlahos, Jason Jaquith, Kyle Schipf, Ella B. Rigdon, Ayden B. Israel, Juan C. Nino, Daniel Olds, Megan M. Butala

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  43. Molybdenum-driven dual redox regulation to improve capacity and stability of manganese-based cation-disordered rock-salt cathodes

    Journal of Power Sources · 2026-10-06

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