Realizing High Capacity and Zero Strain in Layered Oxide Cathodes via Lithium Dual-Site Substitution for Sodium-Ion Batteries

Wu, Zhonghan; Ni, Youxuan; Tan, Sha; Hu, Enyuan; He, Lunhua; Liu, Jiuding; Hou, Machuan; Jiao, Peixin; Zhang, Kai; Cheng, Fangyi; Chen, Jun

doi:10.1021/jacs.3c00117

Title: Realizing High Capacity and Zero Strain in Layered Oxide Cathodes via Lithium Dual-Site Substitution for Sodium-Ion Batteries

Journal Article · Fri Apr 14 00:00:00 EDT 2023 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.3c00117· OSTI ID:1969926

Wu, Zhonghan ^[1]; Ni, Youxuan ^[1];

^[2];

^[2]; He, Lunhua ^[3]; Liu, Jiuding ^[1]; Hou, Machuan ^[1]; Jiao, Peixin ^[1];

^[4];

^[4]

Nankai Univ., Tianjin (China)
Brookhaven National Lab. (BNL), Upton, NY (United States)
Chinese Academy of Sciences (CAS), Beijing (China); Songshan Lake Materials Laboratory (China); Spallation Neutron Source Science Center, Dongguan (China)
Nankai Univ., Tianjin (China); Haihe Laboratory of Sustainable Chemical Transformations, Tianjin (China)

Sodium-ion batteries have garnered unprecedented attention as an electrochemical energy storage technology, but it remains challenging to design high-energy-density cathode materials with low structural strain during the dynamic (de)sodiation processes. In this paper, we report a P2-layered lithium dual-site-substituted Na_0.7Li_0.03[Mg_0.15Li_0.07Mn_0.75]O₂ (NMLMO) cathode material, in which Li ions occupy both transition-metal (TM) and alkali-metal (AM) sites. The combination of theoretical calculations and experimental characterizations reveals that Li_TM creates Na–O–Li electronic configurations to boost the capacity derived from the oxygen anionic redox, while Li_AM serves as LiO₆ prismatic pillars to stabilize the layered structure through suppressing the detrimental phase transitions. As a result, NMLMO delivers a high specific capacity of 266 mAh g^–1 and simultaneously exhibits the nearly zero-strain characteristic within a wide voltage range of 1.5–4.6 V. Our findings highlight the effective way of dual-site substitution to break the capacity–stability trade-off in cathode materials for advanced rechargeable batteries.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO); USDOE Office of Science (SC)

Grant/Contract Number:: SC0012704

OSTI ID:: 1969926

Report Number(s):: BNL-224241-2023-JAAM

Journal Information:: Journal of the American Chemical Society, Vol. 145, Issue 17; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

References (56)

Revealing High Na-Content P2-Type Layered Oxides as Advanced Sodium-Ion Cathodes Zhao, Chenglong; Yao, Zhenpeng; Wang, Qidi Journal of the American Chemical Society, Vol. 142, Issue 12 https://doi.org/10.1021/jacs.9b13572	journal	March 2020
Electrochemical investigation of the P2–NaxCoO2 phase diagram Berthelot, R.; Carlier, D.; Delmas, C. Nature Materials, Vol. 10, Issue 1 https://doi.org/10.1038/nmat2920	journal	December 2010
Combining Quinone Cathode and Ionic Liquid Electrolyte for Organic Sodium-Ion Batteries Wang, Xingchao; Shang, Zhenfeng; Yang, Aikai Chem, Vol. 5, Issue 2 https://doi.org/10.1016/j.chempr.2018.10.018	journal	February 2019
A theoretical framework for oxygen redox chemistry for sustainable batteries Kim, Byunghoon; Song, Jun-Hyuk; Eum, Donggun Nature Sustainability, Vol. 5, Issue 8 https://doi.org/10.1038/s41893-022-00890-z	journal	May 2022
Coexistence of (O₂)ⁿ⁻ and Trapped Molecular O₂ as the Oxidized Species in P2-Type Sodium 3d Layered Oxide and Stable Interface Enabled by Highly Fluorinated Electrolyte Zhao, Chong; Li, Chao; Liu, Hui Journal of the American Chemical Society, Vol. 143, Issue 44 https://doi.org/10.1021/jacs.1c08614	journal	October 2021
Anionic redox in Na-based layered oxide cathodes: a review with focus on mechanism studies Li, C.; Geng, F.; Hu, B. Materials Today Energy, Vol. 17 https://doi.org/10.1016/j.mtener.2020.100474	journal	September 2020
The stability of P2-layered sodium transition metal oxides in ambient atmospheres Zuo, Wenhua; Qiu, Jimin; Liu, Xiangsi Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-17290-6	journal	July 2020
Tuning local chemistry of P2 layered-oxide cathode for high energy and long cycles of sodium-ion battery Wang, Chenchen; Liu, Luojia; Zhao, Shuo Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-22523-3	journal	April 2021
Rational design of layered oxide materials for sodium-ion batteries Zhao, Chenglong; Wang, Qidi; Yao, Zhenpeng Science, Vol. 370, Issue 6517 https://doi.org/10.1126/science.aay9972	journal	November 2020
The structural and chemical origin of the oxygen redox activity in layered and cation-disordered Li-excess cathode materials Seo, Dong-Hwa; Lee, Jinhyuk; Urban, Alexander Nature Chemistry, Vol. 8, Issue 7 https://doi.org/10.1038/nchem.2524	journal	May 2016
Anionic Redox Reaction-Induced High-Capacity and Low-Strain Cathode with Suppressed Phase Transition Rong, Xiaohui; Hu, Enyuan; Lu, Yaxiang Joule, Vol. 3, Issue 2 https://doi.org/10.1016/j.joule.2018.10.022	journal	February 2019
Layered Oxide Cathodes for Sodium-Ion Batteries: Phase Transition, Air Stability, and Performance Wang, Peng-Fei; You, Ya; Yin, Ya-Xia Advanced Energy Materials, Vol. 8, Issue 8 https://doi.org/10.1002/aenm.201701912	journal	November 2017
A Co‐ and Ni‐Free P2/O3 Biphasic Lithium Stabilized Layered Oxide for Sodium‐Ion Batteries and its Cycling Behavior Yang, Liangtao; Amo, Juan Miguel López; Shadike, Zulipiya Advanced Functional Materials, Vol. 30, Issue 42 https://doi.org/10.1002/adfm.202003364	journal	August 2020
Precipitate-stabilized surface enabling high-performance Na0.67Ni0.33-xMn0.67ZnxO2 for sodium-ion battery Wang, Kuan; Zhang, Zhengfeng; Cheng, Sulan eScience, Vol. 2, Issue 5 https://doi.org/10.1016/j.esci.2022.08.003	journal	September 2022
Research Progress in Lithium‐Excess Disordered Rock‐Salt Oxides Cathode Wang, Manxi; Chen, Xiaochuan; Yao, Hurong ENERGY & ENVIRONMENTAL MATERIALS, Vol. 5, Issue 4 https://doi.org/10.1002/eem2.12413	journal	October 2022
Restraining Oxygen Loss and Suppressing Structural Distortion in a Newly Ti-Substituted Layered Oxide P2-Na _0.66 Li _0.22 Ti _0.15 Mn _0.63 O ₂ Cao, Xin; Li, Xiang; Qiao, Yu ACS Energy Letters, Vol. 4, Issue 10 https://doi.org/10.1021/acsenergylett.9b01732	journal	September 2019
Oxygen redox chemistry without excess alkali-metal ions in Na2/3[Mg0.28Mn0.72]O2 Maitra, Urmimala; House, Robert A.; Somerville, James W. Nature Chemistry, Vol. 10, Issue 3 https://doi.org/10.1038/nchem.2923	journal	January 2018
Topologically protected oxygen redox in a layered manganese oxide cathode for sustainable batteries Gao, Ang; Zhang, Qinghua; Li, Xinyan Nature Sustainability, Vol. 5, Issue 3 https://doi.org/10.1038/s41893-021-00809-0	journal	December 2021
Hysteresis‐Suppressed Reversible Oxygen‐Redox Cathodes for Sodium‐Ion Batteries Voronina, Natalia; Shin, Min‐Young; Kim, Hee‐Jae Advanced Energy Materials, Vol. 12, Issue 21 https://doi.org/10.1002/aenm.202103939	journal	April 2022
Manganese based layered oxides with modulated electronic and thermodynamic properties for sodium ion batteries Zhang, Kai; Kim, Duho; Hu, Zhe Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-018-07646-4	journal	January 2019
Direct visualization of the Jahn–Teller effect coupled to Na ordering in Na5/8MnO2 Li, Xin; Ma, Xiaohua; Su, Dong Nature Materials, Vol. 13, Issue 6 https://doi.org/10.1038/nmat3964	journal	May 2014
In Situ X-Ray Diffraction Study of P2-Na[sub 2/3][Ni[sub 1/3]Mn[sub 2/3]]O[sub 2] Lu, Zhonghua; Dahn, J. R. Journal of The Electrochemical Society, Vol. 148, Issue 11 https://doi.org/10.1149/1.1407247	journal	January 2001
New O2/P2-type Li-Excess Layered Manganese Oxides as Promising Multi-Functional Electrode Materials for Rechargeable Li/Na Batteries Yabuuchi, Naoaki; Hara, Ryo; Kajiyama, Masataka Advanced Energy Materials, Vol. 4, Issue 13 https://doi.org/10.1002/aenm.201301453	journal	May 2014
Sodium and Manganese Stoichiometry of P2-Type Na _2/3 MnO ₂ Kumakura, Shinichi; Tahara, Yoshiyuki; Kubota, Kei Angewandte Chemie International Edition, Vol. 55, Issue 41 https://doi.org/10.1002/anie.201606415	journal	September 2016
Sodium-Ion Batteries: From Academic Research to Practical Commercialization Deng, Jianqiu; Luo, Wen-Bin; Chou, Shu-Lei Advanced Energy Materials, Vol. 8, Issue 4 https://doi.org/10.1002/aenm.201701428	journal	September 2017
The Structural Stability of P2-Layered Na-Based Electrodes during Anionic Redox Vergnet, Jean; Saubanère, Matthieu; Doublet, Marie-Liesse Joule, Vol. 4, Issue 2 https://doi.org/10.1016/j.joule.2019.12.003	journal	February 2020
Superstructure Variation and Improved Cycling of Anion Redox Active Sodium Manganese Oxides Due to Doping by Iron Qi, Xiaodong; Wu, Langyuan; Li, Zhiwei Advanced Energy Materials, Vol. 12, Issue 43 https://doi.org/10.1002/aenm.202202355	journal	September 2022
A cost and resource analysis of sodium-ion batteries Vaalma, Christoph; Buchholz, Daniel; Weil, Marcel Nature Reviews Materials, Vol. 3, Issue 4 https://doi.org/10.1038/natrevmats.2018.13	journal	March 2018
Sodium transition metal oxides: the preferred cathode choice for future sodium-ion batteries? Liu, Qiannan; Hu, Zhe; Li, Weijie Energy & Environmental Science, Vol. 14, Issue 1 https://doi.org/10.1039/D0EE02997A	journal	January 2021
Vacancy‐Enabled O3 Phase Stabilization for Manganese‐Rich Layered Sodium Cathodes Xiao, Biwei; Wang, Yichao; Tan, Sha Angewandte Chemie International Edition, Vol. 60, Issue 15 https://doi.org/10.1002/anie.202016334	journal	March 2021
Promises and Challenges of Next-Generation “Beyond Li-ion” Batteries for Electric Vehicles and Grid Decarbonization Tian, Yaosen; Zeng, Guobo; Rutt, Ann Chemical Reviews, Vol. 121, Issue 3 https://doi.org/10.1021/acs.chemrev.0c00767	journal	December 2020
Advanced characterizations and measurements for sodium-ion batteries with NASICON-type cathode materials Liu, Yukun; Li, Jie; Shen, Qiuyu eScience, Vol. 2, Issue 1 https://doi.org/10.1016/j.esci.2021.12.008	journal	January 2022
Decoupling the effect of vacancies and electropositive cations on the anionic redox processes in Na based P2-type layered oxides Bai, Xue; Iadecola, Antonella; Tarascon, Jean-Marie Energy Storage Materials, Vol. 31 https://doi.org/10.1016/j.ensm.2020.05.032	journal	October 2020
Tuning P2-Structured Cathode Material by Na-Site Mg Substitution for Na-Ion Batteries Wang, Qin-Chao; Meng, Jing-Ke; Yue, Xin-Yang Journal of the American Chemical Society, Vol. 141, Issue 2 https://doi.org/10.1021/jacs.8b08638	journal	December 2018
Configuration‐dependent anionic redox in cathode materials Yang, Lu; Chen, Rusong; Liu, Zepeng Battery Energy, Vol. 1, Issue 2 https://doi.org/10.1002/bte2.20210015	journal	March 2022
Polyanion-type cathode materials for sodium-ion batteries Jin, Ting; Li, Huangxu; Zhu, Kunjie Chemical Society Reviews, Vol. 49, Issue 8 https://doi.org/10.1039/C9CS00846B	journal	January 2020
Lithium-Doping Stabilized High-Performance P2–Na _0.66 Li _0.18 Fe _0.12 Mn _0.7 O ₂ Cathode for Sodium Ion Batteries Yang, Lufeng; Li, Xiang; Liu, Jue Journal of the American Chemical Society, Vol. 141, Issue 16 https://doi.org/10.1021/jacs.9b01855	journal	April 2019
Fundamentals, status and promise of sodium-based batteries Usiskin, Robert; Lu, Yaxiang; Popovic, Jelena Nature Reviews Materials, Vol. 6, Issue 11 https://doi.org/10.1038/s41578-021-00324-w	journal	June 2021
Superstructure control of first-cycle voltage hysteresis in oxygen-redox cathodes House, Robert A.; Maitra, Urmimala; Pérez-Osorio, Miguel A. Nature, Vol. 577, Issue 7791 https://doi.org/10.1038/s41586-019-1854-3	journal	December 2019
Pinning Effect Enhanced Structural Stability toward a Zero‐Strain Layered Cathode for Sodium‐Ion Batteries Chu, Shiyong; Zhang, Chunchen; Xu, Hang Angewandte Chemie International Edition, Vol. 60, Issue 24 https://doi.org/10.1002/anie.202100917	journal	May 2021
High‐Abundance and Low‐Cost Metal‐Based Cathode Materials for Sodium‐Ion Batteries: Problems, Progress, and Key Technologies Chen, Mingzhe; Liu, Qiannan; Wang, Shi‐Wen Advanced Energy Materials, Vol. 9, Issue 14 https://doi.org/10.1002/aenm.201803609	journal	February 2019
Fundamental understanding and practical challenges of anionic redox activity in Li-ion batteries Assat, Gaurav; Tarascon, Jean-Marie Nature Energy, Vol. 3, Issue 5 https://doi.org/10.1038/s41560-018-0097-0	journal	April 2018
Transition metal migration and O2 formation underpin voltage hysteresis in oxygen-redox disordered rocksalt cathodes McColl, Kit; House, Robert A.; Rees, Gregory J. Nature Communications, Vol. 13, Issue 1 https://doi.org/10.1038/s41467-022-32983-w	journal	September 2022
Adverse effects of interlayer-gliding in layered transition-metal oxides on electrochemical sodium-ion storage Sun, Yang; Guo, Shaohua; Zhou, Haoshen Energy & Environmental Science, Vol. 12, Issue 3 https://doi.org/10.1039/C8EE01006D	journal	January 2019
Advanced Organic Electrode Materials for Rechargeable Sodium-Ion Batteries Zhao, Qing; Lu, Yong; Chen, Jun Advanced Energy Materials, Vol. 7, Issue 8 https://doi.org/10.1002/aenm.201601792	journal	December 2016
Recent Advances and Prospects of Cathode Materials for Sodium-Ion Batteries Xiang, Xingde; Zhang, Kai; Chen, Jun Advanced Materials, Vol. 27, Issue 36 https://doi.org/10.1002/adma.201501527	journal	August 2015
Unlocking anionic redox activity in O3-type sodium 3d layered oxides via Li substitution Wang, Qing; Mariyappan, Sathiya; Rousse, Gwenaëlle Nature Materials, Vol. 20, Issue 3 https://doi.org/10.1038/s41563-020-00870-8	journal	January 2021
Oxygen Redox Chemistry in Rechargeable Li-Ion and Na-Ion Batteries Rahman, Muhammad Mominur; Lin, Feng Matter, Vol. 4, Issue 2 https://doi.org/10.1016/j.matt.2020.12.004	journal	February 2021
P2-type Nax[Fe1/2Mn1/2]O2 made from earth-abundant elements for rechargeable Na batteries Yabuuchi, Naoaki; Kajiyama, Masataka; Iwatate, Junichi Nature Materials, Vol. 11, Issue 6 https://doi.org/10.1038/nmat3309	journal	April 2012
Prussian Blue Cathode Materials for Sodium-Ion Batteries and Other Ion Batteries Qian, Jiangfeng; Wu, Chen; Cao, Yuliang Advanced Energy Materials, Vol. 8, Issue 17 https://doi.org/10.1002/aenm.201702619	journal	January 2018
Sodium-ion batteries: present and future Hwang, Jang-Yeon; Myung, Seung-Taek; Sun, Yang-Kook Chemical Society Reviews, Vol. 46, Issue 12 https://doi.org/10.1039/C6CS00776G	journal	January 2017
Recent advances of electrode materials for low-cost sodium-ion batteries towards practical application for grid energy storage Li, Yunming; Lu, Yaxiang; Zhao, Chenglong Energy Storage Materials, Vol. 7 https://doi.org/10.1016/j.ensm.2017.01.002	journal	April 2017
A zero-strain layered metal oxide as the negative electrode for long-life sodium-ion batteries Wang, Yuesheng; Yu, Xiqian; Xu, Shuyin Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms3365	journal	August 2013
Reversible structural evolution of sodium-rich rhombohedral Prussian blue for sodium-ion batteries Wang, Wanlin; Gang, Yong; Hu, Zhe Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-14444-4	journal	February 2020
Low-cost layered oxide cathode involving cationic and anionic redox with a complete solid-solution sodium-storage behavior Wang, Yao; Zhao, Xudong; Jin, Junteng Energy Storage Materials, Vol. 47 https://doi.org/10.1016/j.ensm.2022.01.047	journal	May 2022
Homeostatic Solid Solution in Layered Transition-Metal Oxide Cathodes of Sodium-Ion Batteries Ren, Meng; Zhao, Shuo; Gao, Suning Journal of the American Chemical Society, Vol. 145, Issue 1 https://doi.org/10.1021/jacs.2c09725	journal	December 2022

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sodium ion batteries
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lattices
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Title: Realizing High Capacity and Zero Strain in Layered Oxide Cathodes via Lithium Dual-Site Substitution for Sodium-Ion Batteries

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