Mitigating oxygen loss to improve the cycling performance of high capacity cation-disordered cathode materials

Lee, Jinhyuk; Papp, Joseph K.; Clément, Raphaële J.; Sallis, Shawn; Kwon, Deok-Hwang; Shi, Tan; Yang, Wanli; McCloskey, Bryan D.; Ceder, Gerbrand

doi:10.1038/s41467-017-01115-0

Title: Mitigating oxygen loss to improve the cycling performance of high capacity cation-disordered cathode materials

Journal Article · Tue Oct 17 00:00:00 EDT 2017 · Nature Communications

DOI:https://doi.org/10.1038/s41467-017-01115-0· OSTI ID:1419450

Lee, Jinhyuk ^[1];

^[2];

^[1];

^[3]; Kwon, Deok-Hwang ^[1]; Shi, Tan ^[1];

^[3]; McCloskey, Bryan D. ^[4]; Ceder, Gerbrand ^[5]

Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering
Univ. of California, Berkeley, CA (United States). Dept. of Chemical and Biomolecular Engineering
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
Univ. of California, Berkeley, CA (United States). Dept. of Chemical and Biomolecular Engineering; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Energy Storage and Distributed Resources Division
Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Division

Recent progress in the understanding of percolation theory points to cation-disordered lithium-excess transition metal oxides as high-capacity lithium-ion cathode materials. Nevertheless, the oxygen redox processes required for these materials to deliver high capacity can trigger oxygen loss, which leads to the formation of resistive surface layers on the cathode particles. Here, we demonstrate here that, somewhat surprisingly, fluorine can be incorporated into the bulk of disordered lithium nickel titanium molybdenum oxides using a standard solid-state method to increase the nickel content, and that this compositional modification is very effective in reducing oxygen loss, improving energy density, average voltage, and rate performance. We argue that the valence reduction on the anion site, offered by fluorine incorporation, opens up significant opportunities for the design of high-capacity cation-disordered cathode materials.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V); USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

Grant/Contract Number:: AC02-05CH11231; DGE-1106400

OSTI ID:: 1419450

Journal Information:: Nature Communications, Vol. 8, Issue 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 150 works

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References (42)

Preparation of electrochemically active α-LiFeO2 at low temperature Sakurai, Y. Solid State Ionics, Vol. 113-115, Issue 1-2 https://doi.org/10.1016/S0167-2738(98)00363-4	journal	December 1998
Characterization of Disordered Li _{(1+ x )} Ti _{2 x} Fe _{(1–3 x )} O ₂ as Positive Electrode Materials in Li-Ion Batteries Using Percolation Theory Glazier, Stephen L.; Li, Jing; Zhou, Jigang Chemistry of Materials, Vol. 27, Issue 22 https://doi.org/10.1021/acs.chemmater.5b03530	journal	November 2015
Isotropic High Field NMR Spectra of Li-Ion Battery Materials with Anisotropy >1 MHz Hung, Ivan; Zhou, Lina; Pourpoint, Frédérique Journal of the American Chemical Society, Vol. 134, Issue 4 https://doi.org/10.1021/ja209600m	journal	January 2012
Demonstrating Oxygen Loss and Associated Structural Reorganization in the Lithium Battery Cathode Li[Ni_0.2Li_0.2Mn_0.6]O₂ Armstrong, A. Robert; Holzapfel, Michael; Novák, Petr Journal of the American Chemical Society, Vol. 128, Issue 26 https://doi.org/10.1021/ja062027+	journal	June 2006
Determination of the Kinetic Parameters of Mixed-Conducting Electrodes and Application to the System Li[sub 3]Sb Weppner, W. Journal of The Electrochemical Society, Vol. 124, Issue 10 https://doi.org/10.1149/1.2133112	journal	January 1977
Synthesis and Electrochemical Properties of Layered Li_0.9Ni_0.45Ti_0.55O₂ Kang, Kisuk; Carlier, Dany; Reed, John Chemistry of Materials, Vol. 15, Issue 23 https://doi.org/10.1021/cm034455+	journal	October 2003
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
Disordered Lithium-Rich Oxyfluoride as a Stable Host for Enhanced Li ⁺ Intercalation Storage Chen, Ruiyong; Ren, Shuhua; Knapp, Michael Advanced Energy Materials, Vol. 5, Issue 9 https://doi.org/10.1002/aenm.201401814	journal	February 2015
Synthesis and electrochemistry of cubic rocksalt Li–Ni–Ti–O compounds in the phase diagram of LiNiO2–LiTiO2–Li[Li1/3Ti2/3]O2 Zhang, Lianqi; Noguchi, Hideyuki; Li, Decheng Journal of Power Sources, Vol. 185, Issue 1 https://doi.org/10.1016/j.jpowsour.2008.06.054	journal	October 2008
Surface reconstruction and chemical evolution of stoichiometric layered cathode materials for lithium-ion batteries Lin, Feng; Markus, Isaac M.; Nordlund, Dennis Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms4529	journal	March 2014
Quantitative probe of the transition metal redox in battery electrodes through soft x-ray absorption spectroscopy Li, Qinghao; Qiao, Ruimin; Wray, L. Andrew Journal of Physics D: Applied Physics, Vol. 49, Issue 41 https://doi.org/10.1088/0022-3727/49/41/413003	journal	September 2016
Unlocking the Potential of Cation-Disordered Oxides for Rechargeable Lithium Batteries Lee, J.; Urban, A.; Li, X. Science, Vol. 343, Issue 6170 https://doi.org/10.1126/science.1246432	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
Anion Redox Chemistry in the Cobalt Free 3d Transition Metal Oxide Intercalation Electrode Li[Li _0.2 Ni _0.2 Mn _0.6 ]O ₂ Luo, Kun; Roberts, Matthew R.; Guerrini, Niccoló Journal of the American Chemical Society, Vol. 138, Issue 35 https://doi.org/10.1021/jacs.6b05111	journal	August 2016
Twin Problems of Interfacial Carbonate Formation in Nonaqueous Li–O ₂ Batteries McCloskey, B. D.; Speidel, A.; Scheffler, R. The Journal of Physical Chemistry Letters, Vol. 3, Issue 8 https://doi.org/10.1021/jz300243r	journal	March 2012
Electronic structure of Li-doped NiO van Elp, J.; Eskes, H.; Kuiper, P. Physical Review B, Vol. 45, Issue 4 https://doi.org/10.1103/PhysRevB.45.1612	journal	January 1992
Synthesis and electrochemical properties of Li _1.3 Nb _0.3 V _0.4 O ₂ as a positive electrode material for rechargeable lithium batteries Yabuuchi, Naoaki; Takeuchi, Mitsue; Komaba, Shinichi Chemical Communications, Vol. 52, Issue 10 https://doi.org/10.1039/C5CC08034G	journal	January 2016
Detailed Studies of a High-Capacity Electrode Material for Rechargeable Batteries, Li ₂ MnO ₃ −LiCo _1/3 Ni _1/3 Mn _1/3 O ₂ Yabuuchi, Naoaki; Yoshii, Kazuhiro; Myung, Seung-Taek Journal of the American Chemical Society, Vol. 133, Issue 12 https://doi.org/10.1021/ja108588y	journal	March 2011
Critical Role of Oxygen Evolved from Layered Li–Excess Metal Oxides in Lithium Rechargeable Batteries Hong, Jihyun; Lim, Hee-Dae; Lee, Minah Chemistry of Materials, Vol. 24, Issue 14 https://doi.org/10.1021/cm3005634	journal	July 2012
Why LiFePO ₄ is a safe battery electrode: Coulomb repulsion induced electron-state reshuffling upon lithiation Liu, Xiaosong; Wang, Yung Jui; Barbiellini, Bernardo Physical Chemistry Chemical Physics, Vol. 17, Issue 39 https://doi.org/10.1039/C5CP04739K	journal	January 2015
A disordered rock-salt Li-excess cathode material with high capacity and substantial oxygen redox activity: Li 1.25 Nb 0.25 Mn 0.5 O 2 Wang, Rui; Li, Xin; Liu, Lei Electrochemistry Communications, Vol. 60 https://doi.org/10.1016/j.elecom.2015.08.003	journal	November 2015
Anion-redox nanolithia cathodes for Li-ion batteries Zhu, Zhi; Kushima, Akihiro; Yin, Zongyou Nature Energy, Vol. 1, Issue 8 https://doi.org/10.1038/nenergy.2016.111	journal	July 2016
Synthesis of “Li[sub 1.1](Ni[sub 0.425]Mn[sub 0.425]Co[sub 0.15])[sub 0.9]O[sub 1.8]F[sub 0.2]” Materials by Different Routes: Is There Fluorine Substitution for Oxygen? Croguennec, L.; Bains, J.; Ménétrier, M. Journal of The Electrochemical Society, Vol. 156, Issue 5 https://doi.org/10.1149/1.3080659	journal	January 2009
Direct In situ Observation of Li ₂ O Evolution on Li-Rich High-Capacity Cathode Material, Li[Ni _x Li _{(1–2 x )/3} Mn _{(2– x )/3} ]O ₂ (0 ≤ x ≤0.5) Hy, Sunny; Felix, Felix; Rick, John Journal of the American Chemical Society, Vol. 136, Issue 3 https://doi.org/10.1021/ja410137s	journal	January 2014
NMR evidence of LiF coating rather than fluorine substitution in Li(Ni0.425Mn0.425Co0.15)O2 Ménétrier, M.; Bains, J.; Croguennec, L. Journal of Solid State Chemistry, Vol. 181, Issue 12 https://doi.org/10.1016/j.jssc.2008.09.002	journal	December 2008
High-efficiency in situ resonant inelastic x-ray scattering (iRIXS) endstation at the Advanced Light Source Qiao, Ruimin; Li, Qinghao; Zhuo, Zengqing Review of Scientific Instruments, Vol. 88, Issue 3 https://doi.org/10.1063/1.4977592	journal	March 2017
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
Structure and electrochemistry of LiMO2 (M=Ti, Mn, Fe, Co, Ni) prepared by mechanochemical synthesis Obrovac, M. Solid State Ionics, Vol. 112, Issue 1-2 https://doi.org/10.1016/S0167-2738(98)00225-2	journal	September 1998
A new class of high capacity cation-disordered oxides for rechargeable lithium batteries: Li–Ni–Ti–Mo oxides Lee, Jinhyuk; Seo, Dong-Hwa; Balasubramanian, Mahalingam Energy & Environmental Science, Vol. 8, Issue 11 https://doi.org/10.1039/C5EE02329G	journal	January 2015
Synthesis and Electrode Performance of Li<sub>4</sub>MoO<sub>5</sub>-LiFeO<sub>2</sub> Binary System as Positive Electrode Materials for Rechargeable Lithium Batteries Matsuhara, Takashi; Tsuchiya, Yuka; Yamanaka, Keisuke Electrochemistry, Vol. 84, Issue 10 https://doi.org/10.5796/electrochemistry.84.797	journal	January 2016
On the Efficacy of Electrocatalysis in Nonaqueous Li–O ₂ Batteries McCloskey, Bryan D.; Scheffler, Rouven; Speidel, Angela Journal of the American Chemical Society, Vol. 133, Issue 45 https://doi.org/10.1021/ja207229n	journal	November 2011
Charge-compensation in 3d-transition-metal-oxide intercalation cathodes through the generation of localized electron holes on oxygen Luo, Kun; Roberts, Matthew R.; Hao, Rong Nature Chemistry, Vol. 8, Issue 7 https://doi.org/10.1038/nchem.2471	journal	March 2016
First-Principles Prediction of Vacancy Order-Disorder and Intercalation Battery Voltages in ${Li}_{x} {CoO}_{2}$ Wolverton, C.; Zunger, Alex Physical Review Letters, Vol. 81, Issue 3 https://doi.org/10.1103/PhysRevLett.81.606	journal	July 1998
Origin of stabilization and destabilization in solid-state redox reaction of oxide ions for lithium-ion batteries Yabuuchi, Naoaki; Nakayama, Masanobu; Takeuchi, Mitsue Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms13814	journal	December 2016
Synthesis and Electrochemical Properties of Li ₄ MoO ₅ –NiO Binary System as Positive Electrode Materials for Rechargeable Lithium Batteries Yabuuchi, Naoaki; Tahara, Yoshiyuki; Komaba, Shinichi Chemistry of Materials, Vol. 28, Issue 2 https://doi.org/10.1021/acs.chemmater.5b04092	journal	January 2016
The Effect of Antisite Disorder and Particle Size on Li Intercalation Kinetics in Monoclinic LiMnBO ₃ Kim, Jae Chul; Seo, Dong-Hwa; Chen, Hailong Advanced Energy Materials, Vol. 5, Issue 8 https://doi.org/10.1002/aenm.201401916	journal	January 2015
Oxidative Degradation of the Monolayer of 1-Palmitoyl-2-Oleoyl- sn -Glycero-3-Phosphocholine (POPC) in Low-Level Ozone Qiao, Lin; Ge, Aimin; Liang, Yimin The Journal of Physical Chemistry B, Vol. 119, Issue 44 https://doi.org/10.1021/acs.jpcb.5b08985	journal	October 2015
Oxidative Electrolyte Solvent Degradation in Lithium-Ion Batteries: An In Situ Differential Electrochemical Mass Spectrometry Investigation Imhof, Roman Journal of The Electrochemical Society, Vol. 146, Issue 5 https://doi.org/10.1149/1.1391829	journal	January 1999
Solvents’ Critical Role in Nonaqueous Lithium–Oxygen Battery Electrochemistry McCloskey, B. D.; Bethune, D. S.; Shelby, R. M. The Journal of Physical Chemistry Letters, Vol. 2, Issue 10, p. 1161-1166 https://doi.org/10.1021/jz200352v	journal	May 2011
Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides Aydinol, M. K.; Kohan, A. F.; Ceder, G. Physical Review B, Vol. 56, Issue 3 https://doi.org/10.1103/PhysRevB.56.1354	journal	July 1997
Identification of cathode materials for lithium batteries guided by first-principles calculations Ceder, G.; Chiang, Y. -M.; Sadoway, D. R. Nature, Vol. 392, Issue 6677 https://doi.org/10.1038/33647	journal	April 1998
The Configurational Space of Rocksalt-Type Oxides for High-Capacity Lithium Battery Electrodes Urban, Alexander; Lee, Jinhyuk; Ceder, Gerbrand Advanced Energy Materials, Vol. 4, Issue 13 https://doi.org/10.1002/aenm.201400478	journal	May 2014

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F-Doping effects on carbon-coated Li ₃ V ₂ (PO ₄ ) ₃ as a cathode for high performance lithium rechargeable batteries: combined experimental and DFT studies Wu, Jinggao; Xu, Maowen; Tang, Chun Physical Chemistry Chemical Physics, Vol. 20, Issue 22 https://doi.org/10.1039/c8cp00354h	journal	January 2018
Kathodenmaterialien für wiederaufladbare Lithiumbatterien Lee, Wontae; Muhammad, Shoaib; Sergey, Chernov Angewandte Chemie, Vol. 132, Issue 7 https://doi.org/10.1002/ange.201902359	journal	November 2019
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