Origins of Irreversibility in Layered NaNixFeyMnzO2 Cathode Materials for Sodium Ion Batteries

Deng, Changjian; Gabriel, Eric; Skinner, Paige; Lee, Sungsik; Barnes, Pete; Ma, Chunrong; Gim, Jihyeon; Lau, Miu Lun; Lee, Eungje; Xiong, Hui

doi:10.1021/acsami.0c13850

Origins of Irreversibility in Layered NaNi_xFe_yMn_zO₂ Cathode Materials for Sodium Ion Batteries

Journal Article · Mon Nov 02 23:00:00 EST 2020 · ACS Applied Materials and Interfaces

DOI:https://doi.org/10.1021/acsami.0c13850· OSTI ID:1706706

Deng, Changjian ^[1]; Gabriel, Eric ^[2]; Skinner, Paige ^[2]; ^[3]; Barnes, Pete ^[2]; Ma, Chunrong ^[2]; Gim, Jihyeon ^[3]; Lau, Miu Lun ^[2]; ^[3]; ^[4]

Boise State Univ., ID (United States); Boise State University
Boise State Univ., ID (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
Boise State Univ., ID (United States); Center for Advanced Energy Studies (CAES), Idaho Falls, ID (United States)

Layered NaNi_xFe_yMn_zO₂ cathode (NFM) is of great interest in sodium ion batteries due to its high theoretical capacity and utilization of abundant, low-cost, environmentally-friendly raw materials. Nevertheless, there remains insufficient understanding on the concurrent local environment evolution in each transition metal (TM) that largely influences the reversibility of the cathode materials upon cycling. In this work, we investigate the reversibility of TM ions in layered NFMs with varying Fe contents and potential windows. Utilizing ex situ synchrotron X-ray absorption near edge spectroscopy (XANES) and extended X-ray absorption fine structure (EXAFS) of pre-cycled samples the valence and bonding evolution of the TMs are elucidated. It is found that Mn is electrochemically inactive as indicated by the insignificant change of Mn valence and Mn-O bonding distance. Fe is electrochemically inactive after the first five cycles. The Ni redox couple contributes most of the charge compensation for NFMs. Ni redox is quite reversible in the cathodes with less Fe contents. Furthermore, the Ni redox couple shows significant irreversibility with high Fe content of 0.8. The electrochemical reversibility of the NFM cathode becomes increasingly enhanced with the decrease of either Fe content or with lower upper charge cutoff potential.

View Accepted Manuscript (DOE)

Research Organization:: Boise State Univ., ID (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Energy Efficiency and Renewable Energy (EERE)

Grant/Contract Number:: SC0019121; AC02-06CH11357

OSTI ID:: 1706706

Alternate ID(s):: OSTI ID: 1776848

Journal Information:: ACS Applied Materials and Interfaces, Journal Name: ACS Applied Materials and Interfaces Journal Issue: 46 Vol. 12; ISSN 1944-8244

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

References (41)

Sodium-Ion Batteries Slater, Michael D.; Kim, Donghan; Lee, Eungje Advanced Functional Materials, Vol. 23, Issue 8, p. 947-958 https://doi.org/10.1002/adfm.201200691	journal	May 2012
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
Air-Stable Copper-Based P2-Na _7/9 Cu _2/9 Fe _1/9 Mn _2/3 O ₂ as a New Positive Electrode Material for Sodium-Ion Batteries Li, Yunming; Yang, Zhenzhong; Xu, Shuyin Advanced Science, Vol. 2, Issue 6 https://doi.org/10.1002/advs.201500031	journal	May 2015
Electrode Materials for Rechargeable Sodium-Ion Batteries: Potential Alternatives to Current Lithium-Ion Batteries Kim, Sung-Wook; Seo, Dong-Hwa; Ma, Xiaohua Advanced Energy Materials, Vol. 2, Issue 7, p. 710-721 https://doi.org/10.1002/aenm.201200026	journal	May 2012
In Operando XRD and TXM Study on the Metastable Structure Change of NaNi _1/3 Fe _1/3 Mn _1/3 O ₂ under Electrochemical Sodium-Ion Intercalation Xie, Yingying; Wang, Hong; Xu, Guiliang Advanced Energy Materials, Vol. 6, Issue 24 https://doi.org/10.1002/aenm.201601306	journal	September 2016
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
Challenges in Developing Electrodes, Electrolytes, and Diagnostics Tools to Understand and Advance Sodium-Ion Batteries Xu, Gui-Liang; Amine, Rachid; Abouimrane, Ali Advanced Energy Materials, Vol. 8, Issue 14 https://doi.org/10.1002/aenm.201702403	journal	February 2018
The Emerging Chemistry of Sodium Ion Batteries for Electrochemical Energy Storage Kundu, Dipan; Talaie, Elahe; Duffort, Victor Angewandte Chemie International Edition, Vol. 54, Issue 11 https://doi.org/10.1002/anie.201410376	journal	February 2015
O3-type Na(Mn0.25Fe0.25Co0.25Ni0.25)O2: A quaternary layered cathode compound for rechargeable Na ion batteries Li, Xin; Wu, Di; Zhou, Yong-Ning Electrochemistry Communications, Vol. 49 https://doi.org/10.1016/j.elecom.2014.10.003	journal	December 2014
In situ X-ray absorption spectroscopic study of Li-rich layered cathode material Li[Ni0.17Li0.2Co0.07Mn0.56]O2 Ito, Atsushi; Sato, Yuichi; Sanada, Takashi Journal of Power Sources, Vol. 196, Issue 16 https://doi.org/10.1016/j.jpowsour.2010.09.105	journal	August 2011
Understanding electrochemical potentials of cathode materials in rechargeable batteries Liu, Chaofeng; Neale, Zachary G.; Cao, Guozhong Materials Today, Vol. 19, Issue 2 https://doi.org/10.1016/j.mattod.2015.10.009	journal	March 2016
Iron migration and oxygen oxidation during sodium extraction from NaFeO2 Li, Yejing; Gao, Yurui; Wang, Xuefeng Nano Energy, Vol. 47 https://doi.org/10.1016/j.nanoen.2018.03.007	journal	May 2018
Mechanisms of Degradation and Strategies for the Stabilization of Cathode–Electrolyte Interfaces in Li-Ion Batteries Cabana, Jordi; Kwon, Bob Jin; Hu, Linhua Accounts of Chemical Research, Vol. 51, Issue 2 https://doi.org/10.1021/acs.accounts.7b00482	journal	January 2018
New Insights into the Performance Degradation of Fe-Based Layered Oxides in Sodium-Ion Batteries: Instability of Fe ³⁺ /Fe ⁴⁺ Redox in α-NaFeO ₂ Lee, Eungje; Brown, Dennis E.; Alp, Esen E. Chemistry of Materials, Vol. 27, Issue 19 https://doi.org/10.1021/acs.chemmater.5b02918	journal	September 2015
Li-Substituted Layered Spinel Cathode Material for Sodium Ion Batteries Deng, Changjian; Skinner, Paige; Liu, Yuzi Chemistry of Materials, Vol. 30, Issue 22 https://doi.org/10.1021/acs.chemmater.8b02614	journal	October 2018
Oxygen K-edge X-ray Absorption Spectra Frati, Federica; Hunault, Myrtille O. J. Y.; de Groot, Frank M. F. Chemical Reviews, Vol. 120, Issue 9 https://doi.org/10.1021/acs.chemrev.9b00439	journal	April 2020
Improved Electrochemical Performance of Fe-Substituted NaNi _0.5 Mn _0.5 O ₂ Cathode Materials for Sodium-Ion Batteries Yuan, Ding D.; Wang, Yan X.; Cao, Yu L. ACS Applied Materials & Interfaces, Vol. 7, Issue 16 https://doi.org/10.1021/acsami.5b00594	journal	April 2015
Effect of Controlled-Atmosphere Storage and Ethanol Rinsing on NaNi _0.5 Mn _0.5 O ₂ for Sodium-Ion Batteries Zheng, Lituo; Li, Lingjun; Shunmugasundaram, Ramesh ACS Applied Materials & Interfaces, Vol. 10, Issue 44 https://doi.org/10.1021/acsami.8b14209	journal	October 2018
Oxygen-Release-Related Thermal Stability and Decomposition Pathways of Li _x Ni _0.5 Mn _1.5 O ₄ Cathode Materials Hu, Enyuan; Bak, Seong-Min; Liu, Jue Chemistry of Materials, Vol. 26, Issue 2 https://doi.org/10.1021/cm403400y	journal	December 2013
Research Development on Sodium-Ion Batteries Yabuuchi, Naoaki; Kubota, Kei; Dahbi, Mouad Chemical Reviews, Vol. 114, Issue 23 https://doi.org/10.1021/cr500192f	journal	October 2014
Study on the Reversible Electrode Reaction of Na _{1– x} Ni _0.5 Mn _0.5 O ₂ for a Rechargeable Sodium-Ion Battery Komaba, Shinichi; Yabuuchi, Naoaki; Nakayama, Tetsuri Inorganic Chemistry, Vol. 51, Issue 11 https://doi.org/10.1021/ic300357d	journal	May 2012
Investigation of the Charge Compensation Mechanism on the Electrochemically Li-Ion Deintercalated Li ₁ _- _x Co _1/3 Ni _1/3 Mn _1/3 O ₂ Electrode System by Combination of Soft and Hard X-ray Absorption Spectroscopy Yoon, Won-Sub; Balasubramanian, Mahalingam; Chung, Kyung Yoon Journal of the American Chemical Society, Vol. 127, Issue 49 https://doi.org/10.1021/ja0530568	journal	December 2005
Designing Air-Stable O3-Type Cathode Materials by Combined Structure Modulation for Na-Ion Batteries Yao, Hu-Rong; Wang, Peng-Fei; Gong, Yue Journal of the American Chemical Society, Vol. 139, Issue 25 https://doi.org/10.1021/jacs.7b05176	journal	June 2017
Examining Hysteresis in Composite x Li ₂ MnO ₃ ·(1– x )LiMO ₂ Cathode Structures Croy, Jason R.; Gallagher, Kevin G.; Balasubramanian, Mahalingam The Journal of Physical Chemistry C, Vol. 117, Issue 13 https://doi.org/10.1021/jp312658q	journal	March 2013
Estimating Hybridization of Transition Metal and Oxygen States in Perovskites from O K -edge X-ray Absorption Spectroscopy Suntivich, Jin; Hong, Wesley T.; Lee, Yueh-Lin The Journal of Physical Chemistry C, Vol. 118, Issue 4 https://doi.org/10.1021/jp410644j	journal	January 2014
Role of Ligand-to-Metal Charge Transfer in O3-Type NaFeO ₂ –NaNiO ₂ Solid Solution for Enhanced Electrochemical Properties Wang, Xianfen; Liu, Guandong; Iwao, Tatsumi The Journal of Physical Chemistry C, Vol. 118, Issue 6 https://doi.org/10.1021/jp411382r	journal	January 2014
Battery materials for ultrafast charging and discharging Kang, Byoungwoo; Ceder, Gerbrand Nature, Vol. 458, Issue 7235, p. 190-193 https://doi.org/10.1038/nature07853	journal	March 2009
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
Understanding voltage decay in lithium-excess layered cathode materials through oxygen-centred structural arrangement Myeong, Seungjun; Cho, Woongrae; Jin, Wooyoung Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-05802-4	journal	August 2018
A quinary layer transition metal oxide of NaNi _1/4 Co _1/4 Fe _1/4 Mn _1/8 Ti _1/8 O ₂ as a high-rate-capability and long-cycle-life cathode material for rechargeable sodium ion batteries Yue, Ji-Li; Yin, Wen-Wen; Cao, Ming-Hui Chemical Communications, Vol. 51, Issue 86 https://doi.org/10.1039/c5cc06585b	journal	January 2015
Controlling side reactions and self-discharge in high-voltage spinel cathodes: the critical role of surface crystallographic facets Kuppan, Saravanan; Duncan, Hugues; Chen, Guoying Physical Chemistry Chemical Physics, Vol. 17, Issue 39 https://doi.org/10.1039/c5cp04899k	journal	January 2015
Nickel-iron catalysts for electrochemical water oxidation – redox synergism investigated by in situ X-ray spectroscopy with millisecond time resolution González-Flores, Diego; Klingan, Katharina; Chernev, Petko Sustainable Energy & Fuels, Vol. 2, Issue 9 https://doi.org/10.1039/c8se00114f	journal	January 2018
Increased activity in the oxygen evolution reaction by Fe ⁴⁺ -induced hole states in perovskite La _1−x Sr _x FeO ₃ Shen, Zechao; Zhuang, Yongbin; Li, Weiwei Journal of Materials Chemistry A, Vol. 8, Issue 8 https://doi.org/10.1039/c9ta13313e	journal	January 2020
Preliminary crystal structure of mixed-valency Sr4Ni3O9, the actual formula of the so-called Sr5Ni4O11 Abraham, Francis; Minaud, Sylvie; Renard, Catherine Journal of Materials Chemistry, Vol. 4, Issue 11 https://doi.org/10.1039/jm9940401763	journal	January 1994
Controlled-valence properties of La 1 − x Sr x FeO 3 and La 1 − x Sr x MnO 3 studied by soft-x-ray absorption spectroscopy Abbate, M.; de Groot, F. M. F.; Fuggle, J. C. Physical Review B, Vol. 46, Issue 8 https://doi.org/10.1103/physrevb.46.4511	journal	August 1992
EXPGUI , a graphical user interface for GSAS Toby, Brian H. Journal of Applied Crystallography, Vol. 34, Issue 2 https://doi.org/10.1107/s0021889801002242	journal	April 2001
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides Shannon, R. D. Acta Crystallographica Section A, Vol. 32, Issue 5, p. 751-767 https://doi.org/10.1107/s0567739476001551	journal	September 1976
IFEFFIT : interactive XAFS analysis and FEFF fitting Newville, Matthew Journal of Synchrotron Radiation, Vol. 8, Issue 2 https://doi.org/10.1107/s0909049500016964	journal	March 2001
Electrodes with High Power and High Capacity for Rechargeable Lithium Batteries Kang, Kisuk; Shirley Meng, Ying; Breger, Julien Science, Vol. 311, Issue 5763, p. 977-980 https://doi.org/10.1126/science.1122152	journal	February 2006
Large-Scale Synthesis of NaNi _1/3 Fe _1/3 Mn _1/3 O ₂ as High Performance Cathode Materials for Sodium Ion Batteries Wang, Hong; Liao, Xiao-Zhen; Yang, Yang Journal of The Electrochemical Society, Vol. 163, Issue 3 https://doi.org/10.1149/2.0011605jes	journal	January 2016
Structural and Electrochemical Characterizations on Li ₂ MnO ₃ -LiCoO ₂ -LiCrO ₂ System as Positive Electrode Materials for Rechargeable Lithium Batteries Yabuuchi, Naoaki; Yamamoto, Kazuyo; Yoshii, Kazuhiro Journal of The Electrochemical Society, Vol. 160, Issue 1 https://doi.org/10.1149/2.045301jes	journal	November 2012

Similar Records

Insight into Ca-Substitution Effects on O3-Type NaNi_1/3Fe_1/3Mn_1/3O₂ Cathode Materials for Sodium-Ion Batteries Application

Journal Article · Wed Apr 18 00:00:00 EDT 2018 · Small · OSTI ID:1463686

Li-Substituted Layered-Spinel Cathode Material for Sodium-Ion Batteries

Journal Article · Wed Oct 24 00:00:00 EDT 2018 · Chemistry of Materials · OSTI ID:1494597

Related Subjects

25 ENERGY STORAGE
36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
layered transition metal oxide cathode
local environment evolution
reversibility
sodium ion battery
x-ray absorption spectroscopy

Origins of Irreversibility in Layered NaNixFeyMnzO2 Cathode Materials for Sodium Ion Batteries

Citation Formats

References (41)

Similar Records

Related Subjects

Origins of Irreversibility in Layered NaNi_xFe_yMn_zO₂ Cathode Materials for Sodium Ion Batteries