Whole-Voltage-Range Solid-Solution Reaction in Layered Oxide Cathode of Sodium-Ion Batteries

Ren, Meng; Zhu, Zhuo; Liang, Zhaohui; Huang, Yaohui; Zhang, Tong; Hou, Machuan; Zhang, Kai; Chen, Zonghai; He, Yushi; Ma, Zifeng; Chen, Jun; Li, Fujun

doi:10.1002/smll.202304187

Whole-Voltage-Range Solid-Solution Reaction in Layered Oxide Cathode of Sodium-Ion Batteries

Journal Article · Mon Aug 21 00:00:00 EDT 2023 · Small

DOI:https://doi.org/10.1002/smll.202304187· OSTI ID:2403518

^[1]; Zhu, Zhuo ^[1]; Liang, Zhaohui ^[1]; Huang, Yaohui ^[1]; Zhang, Tong ^[1]; Hou, Machuan ^[1]; Zhang, Kai ^[2]; Chen, Zonghai ^[3]; He, Yushi ^[4]; Ma, Zifeng ^[4]; Chen, Jun ^[2]; ^[2]

Nankai University, Tianjin (China)
Nankai University, Tianjin (China); Haihe Laboratory of Sustainable Chemical Transformations, Tianjin (China)
Argonne National Laboratory (ANL), Argonne, IL (United States)
Shanghai Jiao Tong Univ. (China)

Layered manganese-based oxides (LMOs) are promising cathode materials for sodium-ion batteries (SIBs) due to their versatile structures. However, the Jahn–Teller effect of Mn³⁺ induces severe distortion of MnO₆ octahedra, and the resultant low symmetry is responsible for the gliding of MnO₂ layers and then inferior multiple-phase transitions upon Na⁺ extraction/insertion. Here, hexagonal P2-Na_0.643Li_0.078Mn_0.827Ti_0.095O₂ is synthesized through the incorporation of Li and Ti into the distorted orthorhombic P'2-Na_0.67MnO₂ to function as a phase-transition-free oxide cathode. Further, it is revealed that Li in both the transition-metal and Na layers enhances the covalency of Mn–O bonds and allows degeneracy of Mn 3d e_g orbitals to favor the formation of hexagonal phase, and the high strength of Ti–O bonds reduces the electrostatic interaction between Na and O for suppressed Na⁺/vacancy rearrangements. These collectively lead to a whole-voltage-range solid-solution reaction between 1.8 and 4.3 V with a small volume variation of 1.49%. This rewards its excellent cycling stability (capacity retention of 90% after 500 cycles) and rate capability (89 mAh g^-1 at 2000 mA g^-1).

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE); National Natural Science Foundation of China (NSFC); Tianjin Natural Science Foundation

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 2403518

Alternate ID(s):: OSTI ID: 2229189

Journal Information:: Small, Journal Name: Small Journal Issue: 49 Vol. 19; ISSN 1613-6810

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

References (37)

A New Strategy to Build a High‐Performance P′2‐Type Cathode Material through Titanium Doping for Sodium‐Ion Batteries Park, Yun Ji; Choi, Ji Ung; Jo, Jae Hyeon Advanced Functional Materials, Vol. 29, Issue 28 https://doi.org/10.1002/adfm.201901912	journal	May 2019
Structural Aspects of P2‐Type Na_0.67Mn_0.6Ni_0.2Li_0.2O₂ (MNL) Stabilization by Lithium Defects as a Cathode Material for Sodium‐Ion Batteries Yang, Liangtao; Kuo, Liang‐Yin; López del Amo, Juan Miguel Advanced Functional Materials, Vol. 31, Issue 38 https://doi.org/10.1002/adfm.202102939	journal	July 2021
Mn‐Rich P′2‐Na _0.67 [Ni _0.1 Fe _0.1 Mn _0.8 ]O ₂ as High‐Energy‐Density and Long‐Life Cathode Material for Sodium‐Ion Batteries Choi, Ji Ung; Jo, Jae Hyeon; Park, Yun Ji Advanced Energy Materials, Vol. 10, Issue 27 https://doi.org/10.1002/aenm.202001346	journal	May 2020
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
P2-Na 0.67 Al x Mn 1− x O 2 : Cost-Effective, Stable and High-Rate Sodium Electrodes by Suppressing Phase Transitions and Enhancing Sodium Cation Mobility Liu, Xiangsi; Zuo, Wenhua; Zheng, Bizhu Angewandte Chemie International Edition, Vol. 58, Issue 50 https://doi.org/10.1002/anie.201911698	journal	October 2019
Realizing Complete Solid‐Solution Reaction in High Sodium Content P2‐Type Cathode for High‐Performance Sodium‐Ion Batteries Jin, Ting; Wang, Peng‐Fei; Wang, Qin‐Chao Angewandte Chemie International Edition, Vol. 59, Issue 34 https://doi.org/10.1002/anie.202003972	journal	July 2020
X-ray absorption spectroscopy to analyze nuclear geometry and electronic structure of biological metal centers?potential and questions examined with special focus on the tetra-nuclear manganese complex of oxygenic photosynthesis Dau, Holger; Liebisch, Peter; Haumann, Michael Analytical and Bioanalytical Chemistry, Vol. 376, Issue 5 https://doi.org/10.1007/s00216-003-1982-2	journal	July 2003
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Insights into the Improved High-Voltage Performance of Li-Incorporated Layered Oxide Cathodes for Sodium-Ion Batteries You, Ya; Xin, Sen; Asl, Hooman Yaghoobnejad Chem, Vol. 4, Issue 9 https://doi.org/10.1016/j.chempr.2018.05.018	journal	September 2018
Spinel/Post-spinel engineering on layered oxide cathodes for sodium-ion batteries Zhu, Yan-Fang; Xiao, Yao; Dou, Shi-Xue eScience, Vol. 1, Issue 1 https://doi.org/10.1016/j.esci.2021.10.003	journal	November 2021
Elucidation of the Jahn-Teller effect in a pair of sodium isomer Wang, Peng-Fei; Jin, Ting; Zhang, Jiaxun Nano Energy, Vol. 77 https://doi.org/10.1016/j.nanoen.2020.105167	journal	November 2020
Role of Lithium Doping in P2-Na _0.67 Ni _0.33 Mn _0.67 O ₂ for Sodium-Ion Batteries Xie, Yingying; Gabriel, Eric; Fan, Longlong Chemistry of Materials, Vol. 33, Issue 12 https://doi.org/10.1021/acs.chemmater.1c00569	journal	June 2021
P′2-Na _2/3 Mn _0.9 Me _0.1 O ₂ (Me = Mg, Ti, Co, Ni, Cu, and Zn): Correlation between Orthorhombic Distortion and Electrochemical Property Kumakura, Shinichi; Tahara, Yoshiyuki; Sato, Syuhei Chemistry of Materials, Vol. 29, Issue 21 https://doi.org/10.1021/acs.chemmater.7b02772	journal	October 2017
Rechargeable Alkali-Ion Battery Materials: Theory and Computation Van der Ven, Anton; Deng, Zhi; Banerjee, Swastika Chemical Reviews, Vol. 120, Issue 14 https://doi.org/10.1021/acs.chemrev.9b00601	journal	February 2020
Advances on Manganese-Oxide-Based Cathodes for Na-Ion Batteries Ren, Meng; Fang, Hengyi; Wang, Chenchen Energy & Fuels, Vol. 34, Issue 11 https://doi.org/10.1021/acs.energyfuels.0c02897	journal	September 2020
Copper-Stabilized P′2-Type Layered Manganese Oxide Cathodes for High-Performance Sodium-Ion Batteries Ling, Yuexia; Zhou, Jiang; Guo, Shan ACS Applied Materials & Interfaces, Vol. 13, Issue 49 https://doi.org/10.1021/acsami.1c18313	journal	December 2021
Identifying the Critical Role of Li Substitution in P2–Na _x [Li _y Ni _z Mn _{1– y – z} ]O ₂ (0 < x , y , z < 1) Intercalation Cathode Materials for High-Energy Na-Ion Batteries Xu, Jing; Lee, Dae Hoe; Clément, Raphaële J. Chemistry of Materials, Vol. 26, Issue 2 https://doi.org/10.1021/cm403855t	journal	December 2013
High Capacity O3-Type Na[Li _0.05 (Ni _0.25 Fe _0.25 Mn _0.5 ) _0.95 ]O ₂ Cathode for Sodium Ion Batteries Oh, Seung-Min; Myung, Seung-Taek; Hwang, Jang-Yeon Chemistry of Materials, Vol. 26, Issue 21 https://doi.org/10.1021/cm502481b	journal	October 2014
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
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
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
Current status and future directions of multivalent metal-ion batteries Liang, Yanliang; Dong, Hui; Aurbach, Doron Nature Energy, Vol. 5, Issue 9 https://doi.org/10.1038/s41560-020-0655-0	journal	July 2020
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
Mitigation of Jahn–Teller distortion and Na ⁺ /vacancy ordering in a distorted manganese oxide cathode material by Li substitution Liu, Yanchen; Wang, Chenchen; Zhao, Shuo Chemical Science, Vol. 12, Issue 3 https://doi.org/10.1039/D0SC05427E	journal	January 2021
Na⁺/vacancy disordered manganese-based oxide cathode with ultralow strain enabled by tuning charge distribution Li, Siyuan; Zhang, Yangyang; Lei, Kaixiang Journal of Materials Chemistry A, Vol. 10, Issue 19 https://doi.org/10.1039/D2TA00688J	journal	January 2022
High-capacity electrode materials for rechargeable lithium batteries: Li ₃ NbO ₄ -based system with cation-disordered rocksalt structure Yabuuchi, Naoaki; Takeuchi, Mitsue; Nakayama, Masanobu Proceedings of the National Academy of Sciences, Vol. 112, Issue 25 https://doi.org/10.1073/pnas.1504901112	journal	June 2015
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y. Physical Review B, Vol. 57, Issue 3, p. 1505-1509 https://doi.org/10.1103/PhysRevB.57.1505	journal	January 1998
Unified Approach for Molecular Dynamics and Density-Functional Theory Car, R.; Parrinello, M. Physical Review Letters, Vol. 55, Issue 22 https://doi.org/10.1103/PhysRevLett.55.2471	journal	November 1985
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data Momma, Koichi; Izumi, Fujio Journal of Applied Crystallography, Vol. 44, Issue 6 https://doi.org/10.1107/S0021889811038970	journal	October 2011
ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT Ravel, B.; Newville, M. Journal of Synchrotron Radiation, Vol. 12, Issue 4 https://doi.org/10.1107/S0909049505012719	journal	June 2005
Na ⁺ /vacancy disordering promises high-rate Na-ion batteries Wang, Peng-Fei; Yao, Hu-Rong; Liu, Xin-Yu Science Advances, Vol. 4, Issue 3 https://doi.org/10.1126/sciadv.aar6018	journal	March 2018
Kinetic pathways of ionic transport in fast-charging lithium titanate Zhang, Wei; Seo, Dong-Hwa; Chen, Tina Science, Vol. 367, Issue 6481 https://doi.org/10.1126/science.aax3520	journal	February 2020
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
Review—Practical Issues and Future Perspective for Na-Ion Batteries Kubota, Kei; Komaba, Shinichi Journal of The Electrochemical Society, Vol. 162, Issue 14 https://doi.org/10.1149/2.0151514jes	journal	January 2015

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