Cation-disordered rocksalt transition metal oxides and oxyfluorides for high energy lithium-ion cathodes

Clément, R. J.; Lun, Z.; Ceder, G.

doi:10.1039/c9ee02803j

Title: Cation-disordered rocksalt transition metal oxides and oxyfluorides for high energy lithium-ion cathodes

Journal Article · Wed Jan 01 00:00:00 EST 2020 · Energy & Environmental Science

DOI:https://doi.org/10.1039/c9ee02803j· OSTI ID:1582481

^[1];

^[2]; Ceder, G. ^[2]

Department of Materials Science and Engineering;University of California;Berkeley;USA;Materials Department
Department of Materials Science and Engineering;University of California;Berkeley;USA;Materials Science Division

For lithium-ion rechargeable batteries to meet society's ever-growing demands in electrical energy storage, e.g. for the electrification of transportation, for portable electronics and for grid storage applications, novel electrode materials with a large charge storage capacity and a high energy density are needed. Over the last five years, several experimental and theoretical studies have demonstrated the feasibility of disordered rocksalt (DRX) cathodes, that is, lithium transition metal oxide cathodes with a crystalline rocksalt structure but with a disordered arrangement of lithium and transition metal on the cation lattice. We provide here an overview of the current understanding of DRX materials, in terms of their structural and compositional characteristics, as well as their electrochemical properties. We also present important considerations for the design of high performance DRX cathodes and suggest future research directions. Because no specific order is needed, DRX compounds can be composed of a wide variety of transition metal species, which can create long-term benefits for the lithium battery industry by making it less reliant on scarce and expensive raw materials. While some DRX compositions can simply be synthesized at high temperature to induce thermal cation disorder, other compositions require mechanochemical methods to induce a disordered arrangement of cation species. Cation disorder leads to unique lithium transport properties, small volume changes during charge–discharge cycling and sloping electrochemical profiles. Fluorine substitution for oxygen and the incorporation of high-valent d⁰ transition metals in the bulk DRX structure are two strategies used to increase the lithium content in the material, improve lithium percolation and to keep the valence of redox-active metal species low so that high transition metal redox capacity can be obtained. Short-range cation order, which is affected by thermal treatment, metal composition and fluorine substitution, has a significant impact on electrochemical performance. Moreover, fluorine substitution for oxygen improves long-term capacity retention by significantly reducing anion-based charge compensation mechanisms during charge. Fluorinated DRXs have recently demonstrated reversible capacities >300 mA h g^–1 and extremely high energy densities approaching 1000 W h kg^–1, holding promise for a nearly two-fold increase in the energy density of commercial lithium-ion batteries.

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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), Transportation Office. Vehicle Technologies Office

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1582481

Alternate ID(s):: OSTI ID: 1760214

Journal Information:: Energy & Environmental Science, Journal Name: Energy & Environmental Science Vol. 13 Journal Issue: 2; ISSN 1754-5692

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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Cited by: 255 works

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References (140)

Lithium diffusion mechanisms in layered intercalation compounds Van der Ven, A.; Ceder, G. Journal of Power Sources, Vol. 97-98 https://doi.org/10.1016/S0378-7753(01)00638-3	journal	July 2001
Unified picture of anionic redox in Li/Na-ion batteries Ben Yahia, Mouna; Vergnet, Jean; Saubanère, Matthieu Nature Materials, Vol. 18, Issue 5 https://doi.org/10.1038/s41563-019-0318-3	journal	March 2019
The Crystal Structure of LiScO2 Rooymans, C. J. M. Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 313, Issue 3-4 https://doi.org/10.1002/zaac.19613130315	journal	December 1961
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
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
Improved Voltage and Cycling for Li ⁺ Intercalation in High-Capacity Disordered Oxyfluoride Cathodes Ren, Shuhua; Chen, Ruiyong; Maawad, Emad Advanced Science, Vol. 2, Issue 10 https://doi.org/10.1002/advs.201500128	journal	June 2015
A cluster model for the transition from the short-range order to the long-range order state in f.c.c. based binary systems and its study by means of electron diffraction De Ridder, R.; van Tendeloo, G.; Amelinckx, S. Acta Crystallographica Section A, Vol. 32, Issue 2 https://doi.org/10.1107/S0567739476000508	journal	March 1976
Performance and design considerations for lithium excess layered oxide positive electrode materials for lithium ion batteries Hy, Sunny; Liu, Haodong; Zhang, Minghao Energy & Environmental Science, Vol. 9, Issue 6 https://doi.org/10.1039/C5EE03573B	journal	January 2016
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
Manganese oxidation as the origin of the anomalous capacity of Mn-containing Li-excess cathode materials Radin, Maxwell D.; Vinckeviciute, Julija; Seshadri, Ram Nature Energy, Vol. 4, Issue 8 https://doi.org/10.1038/s41560-019-0439-6	journal	July 2019
Oxygen Contribution on Li-Ion Intercalation-Deintercalation in LiAl[sub y]Co[sub 1−y]O[sub 2] Investigated by O K-Edge and Co L-Edge X-Ray Absorption Spectroscopy Yoon, Won-Sub; Kim, Kwang-Bum; Kim, Min-Gyu Journal of The Electrochemical Society, Vol. 149, Issue 10 https://doi.org/10.1149/1.1503074	journal	January 2002
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
A Survey of first-row ternary oxides LiMO2 (M = Sc-Cu) Hewston, T. A.; Chamberland, B. L. Journal of Physics and Chemistry of Solids, Vol. 48, Issue 2 https://doi.org/10.1016/0022-3697(87)90076-X	journal	January 1987
Electronic properties of transition-metal oxides—I Dunitz, J. D.; Orgel, L. E. Journal of Physics and Chemistry of Solids, Vol. 3, Issue 1-2 https://doi.org/10.1016/0022-3697(57)90043-4	journal	January 1957
Improving the oxygen redox stability of NaCl-type cation disordered Li 2 MnO 3 in a composite structure of Li 2 MnO 3 and spinel-type LiMn 2 O 4 Kataoka, R.; Taguchi, N.; Kojima, T. Journal of Materials Chemistry A, Vol. 7, Issue 10 https://doi.org/10.1039/C8TA11807H	journal	January 2019
Overcharging manganese oxides: Extracting lithium beyond Mn4+ Armstrong, A. R.; Robertson, A. D.; Bruce, P. G. Journal of Power Sources, Vol. 146, Issue 1-2 https://doi.org/10.1016/j.jpowsour.2005.03.104	journal	August 2005
The Effect of Cation Disorder on the Average Li Intercalation Voltage of Transition-Metal Oxides Abdellahi, Aziz; Urban, Alexander; Dacek, Stephen Chemistry of Materials, Vol. 28, Issue 11 https://doi.org/10.1021/acs.chemmater.6b00205	journal	May 2016
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
Cobalt(III) lithium oxide, CoLiO₂: structure refinement by powder neutron diffraction Orman, H. J.; Wiseman, P. J. Acta Crystallographica Section C Crystal Structure Communications, Vol. 40, Issue 1, p. 12-14 https://doi.org/10.1107/S0108270184002833	journal	January 1984
First-principles investigation of phase stability in ${Li}_{x} {CoO}_{2}$ Van der Ven, A.; Aydinol, M. K.; Ceder, G. Physical Review B, Vol. 58, Issue 6 https://doi.org/10.1103/PhysRevB.58.2975	journal	August 1998
Alleviating oxygen evolution from Li-excess oxide materials through theory-guided surface protection Shin, Yongwoo; Kan, Wang Hay; Aykol, Muratahan Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-07080-6	journal	November 2018
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
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
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
Hidden structural and chemical order controls lithium transport in cation-disordered oxides for rechargeable batteries Ji, Huiwen; Urban, Alexander; Kitchaev, Daniil A. Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-08490-w	journal	February 2019
The Li-Ion Rechargeable Battery: A Perspective Goodenough, John B.; Park, Kyu-Sung Journal of the American Chemical Society, Vol. 135, Issue 4 https://doi.org/10.1021/ja3091438	journal	January 2013
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
Exploring Lithium-Cobalt-Nickel Oxide Spinel Electrodes for ≥3.5 V Li-Ion Cells Lee, Eungje; Blauwkamp, Joel; Castro, Fernando C. ACS Applied Materials & Interfaces, Vol. 8, Issue 41 https://doi.org/10.1021/acsami.6b09073	journal	October 2016
ω-LixV2O5 — a new electrode material for rechargeable lithium batteries Delmas, C.; Brèthes, S.; Ménétrier, M. Journal of Power Sources, Vol. 34, Issue 2 https://doi.org/10.1016/0378-7753(91)85030-Z	journal	March 1991
A Facile Mechanism for Recharging Li₂O₂ in Li–O₂ Batteries Kang, ShinYoung; Mo, Yifei; Ong, Shyue Ping Chemistry of Materials, Vol. 25, Issue 16, p. 3328-3336 https://doi.org/10.1021/cm401720n	journal	August 2013
Charge, Potential, and Phase Stability of Layered Li(Ni[sub 0.5]Mn[sub 0.5])O[sub 2] Reed, J.; Ceder, G. Electrochemical and Solid-State Letters, Vol. 5, Issue 7 https://doi.org/10.1149/1.1480135	journal	January 2002
Understanding the Anomalous Capacity of Li / Li [ Ni_xLi _{( 1 / 3 − 2x / 3 )} Mn_{( 2 / 3 − x / 3 )} ] O₂ Cells Using In Situ X-Ray Diffraction and Electrochemical Studies Lu, Zhonghua; Dahn, J. R. Journal of The Electrochemical Society, Vol. 149, Issue 7, p. A815-A822 https://doi.org/10.1149/1.1480014	journal	January 2002
Anionic Redox in Rechargeable Lithium Batteries Li, Biao; Xia, Dingguo Advanced Materials, Vol. 29, Issue 48 https://doi.org/10.1002/adma.201701054	journal	June 2017
Different oxygen redox participation for bulk and surface: A possible global explanation for the cycling mechanism of Li1.20Mn0.54Co0.13Ni0.13O2 Koga, Hideyuki; Croguennec, Laurence; Ménétrier, Michel Journal of Power Sources, Vol. 236 https://doi.org/10.1016/j.jpowsour.2013.02.075	journal	August 2013
Short-range ordering in a battery electrode, the ‘cation-disordered’ rocksalt Li 1.25 Nb 0.25 Mn 0.5 O 2 Jones, Michael A.; Reeves, Philip J.; Seymour, Ieuan D. Chemical Communications, Vol. 55, Issue 61 https://doi.org/10.1039/C9CC04250D	journal	January 2019
High-Performance Low-Temperature Li ⁺ Intercalation in Disordered Rock-Salt Li-Cr-V Oxyfluorides Chen, Ruiyong; Ren, Shuhua; Mu, Xiaoke ChemElectroChem, Vol. 3, Issue 6 https://doi.org/10.1002/celc.201600033	journal	April 2016
Short-Range Order and Unusual Modes of Nickel Redox in a Fluorine-Substituted Disordered Rocksalt Oxide Lithium-Ion Cathode Clément, Raphaële J.; Kitchaev, Daniil; Lee, Jinhyuk Chemistry of Materials, Vol. 30, Issue 19 https://doi.org/10.1021/acs.chemmater.8b03794	journal	September 2018
Metal–oxygen decoordination stabilizes anion redox in Li-rich oxides Hong, Jihyun; Gent, William E.; Xiao, Penghao Nature Materials, Vol. 18, Issue 3 https://doi.org/10.1038/s41563-018-0276-1	journal	February 2019
Lithium manganese oxyfluoride as a new cathode material exhibiting oxygen redox House, Robert A.; Jin, Liyu; Maitra, Urmimala Energy & Environmental Science, Vol. 11, Issue 4 https://doi.org/10.1039/C7EE03195E	journal	January 2018
Alkali Metal-Nickel Oxides of the Type MNiO ₂ Dyer, Lawrence D.; Borie, Bernard S.; Smith, G. Pedro Journal of the American Chemical Society, Vol. 76, Issue 6 https://doi.org/10.1021/ja01635a012	journal	March 1954
Li Conductivity in Li[sub x]MPO[sub 4] (M = Mn, Fe, Co, Ni) Olivine Materials Morgan, D.; Van der Ven, A.; Ceder, G. Electrochemical and Solid-State Letters, Vol. 7, Issue 2 https://doi.org/10.1149/1.1633511	journal	January 2004
Mineral Commodity Summaries 2019 https://doi.org/10.3133/70202434	report	January 2019
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
Improved Cycling Performance of Li-Excess Cation-Disordered Cathode Materials upon Fluorine Substitution Lun, Zhengyan; Ouyang, Bin; Kitchaev, Daniil A. Advanced Energy Materials, Vol. 9, Issue 2 https://doi.org/10.1002/aenm.201802959	journal	November 2018
Design Principles for High-Capacity Mn-Based Cation-Disordered Rocksalt Cathodes Lun, Zhengyan; Ouyang, Bin; Cai, Zijian Chem, Vol. 6, Issue 1 https://doi.org/10.1016/j.chempr.2019.10.001	journal	January 2020
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
Understanding Li Diffusion in Li-Intercalation Compounds Van der Ven, Anton; Bhattacharya, Jishnu; Belak, Anna A. Accounts of Chemical Research, Vol. 46, Issue 5 https://doi.org/10.1021/ar200329r	journal	May 2012
Understanding the Effect of Local Short-Range Ordering on Lithium Diffusion in Li1.3Nb0.3Mn0.4O2 Single-Crystal Cathode Kan, Wang Hay; Deng, Biao; Xu, Yahong Chem, Vol. 4, Issue 9 https://doi.org/10.1016/j.chempr.2018.05.008	journal	September 2018
An analysis of clustering and ordering in multicomponent solid solutions—II fluctuations and kinetics Fontaine, D. De Journal of Physics and Chemistry of Solids, Vol. 34, Issue 8 https://doi.org/10.1016/S0022-3697(73)80026-5	journal	August 1973
Electrical Energy Storage and Intercalation Chemistry Whittingham, M. S. Science, Vol. 192, Issue 4244 https://doi.org/10.1126/science.192.4244.1126	journal	June 1976
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
Fine Li(4 ? x)/3Ti(2 ? 2x)/3FexO2 (0.18 ? x ? 0.67) powder with cubic rock-salt structure as a positive electrode material for rechargeable lithium batteries Tabuchi, Mitsuharu; Nakashima, Akiko; Shigemura, Hikari Journal of Materials Chemistry, Vol. 13, Issue 7 https://doi.org/10.1039/b209569f	journal	January 2003
Li2NiTiO4?a new positive electrode for lithium batteries: soft-chemistry synthesis and electrochemical characterization Prabaharan, S. Solid State Ionics, Vol. 172, Issue 1-4 https://doi.org/10.1016/j.ssi.2004.01.036	journal	August 2004
Investigation of the exceptional charge performance of the 0.93Li 4−x Mn 2 O 5 –0.07Li 2 O composite cathode for Li-ion batteries Freire, M.; Diaz-Lopez, M.; Bordet, P. Journal of Materials Chemistry A, Vol. 6, Issue 12 https://doi.org/10.1039/C8TA00234G	journal	January 2018
Exploring Oxygen Activity in the High Energy P2-Type Na _0.78 Ni _0.23 Mn _0.69 O ₂ Cathode Material for Na-Ion Batteries Ma, Chuze; Alvarado, Judith; Xu, Jing Journal of the American Chemical Society, Vol. 139, Issue 13 https://doi.org/10.1021/jacs.7b00164	journal	March 2017
Understanding the Effect of Cation Disorder on the Voltage Profile of Lithium Transition-Metal Oxides Abdellahi, Aziz; Urban, Alexander; Dacek, Stephen Chemistry of Materials, Vol. 28, Issue 15 https://doi.org/10.1021/acs.chemmater.6b01438	journal	July 2016
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
Cation disordered rock salt phase Li2CoTiO4 as a potential cathode material for Li-ion batteries Yang, Meng; Zhao, Xiangyu; Bian, Yajuan Journal of Materials Chemistry, Vol. 22, Issue 13 https://doi.org/10.1039/c2jm15587g	journal	January 2012
Study of the electrochemical behavior of the “inactive” Li2MnO3 Francis Amalraj, S.; Markovsky, Boris; Sharon, Daniel Electrochimica Acta, Vol. 78 https://doi.org/10.1016/j.electacta.2012.05.144	journal	September 2012
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
�ber Oxoscandate: LiScO2 und NaScO2 Hoppe, Rudolf; Schepers, Bernhard; Rohrborn, Hans-Joachim Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 339, Issue 3-4 https://doi.org/10.1002/zaac.19653390304	journal	September 1965
Degradation Mechanisms in Li 2 VO 2 F Li-Rich Disordered Rock-Salt Cathodes Källquist, Ida; Naylor, Andrew J.; Baur, Christian Chemistry of Materials, Vol. 31, Issue 16 https://doi.org/10.1021/acs.chemmater.9b00829	journal	June 2019
Highly Reversible Oxygen-Redox Chemistry at 4.1 V in Na _4/7− _x [□ _1/7 Mn _6/7 ]O ₂ (□: Mn Vacancy) Mortemard de Boisse, Benoit; Nishimura, Shin-ichi; Watanabe, Eriko Advanced Energy Materials, Vol. 8, Issue 20 https://doi.org/10.1002/aenm.201800409	journal	April 2018
Formation of the Spinel Phase in the Layered Composite Cathode Used in Li-Ion Batteries Gu, Meng; Belharouak, Ilias; Zheng, Jianming ACS Nano, Vol. 7, Issue 1 https://doi.org/10.1021/nn305065u	journal	December 2012
Layered-to-Rock-Salt Transformation in Desodiated Na _x CrO ₂ ( x 0.4) Bo, Shou-Hang; Li, Xin; Toumar, Alexandra J. Chemistry of Materials, Vol. 28, Issue 5 https://doi.org/10.1021/acs.chemmater.5b04626	journal	February 2016
Reversible anionic redox chemistry in high-capacity layered-oxide electrodes Sathiya, M.; Rousse, G.; Ramesha, K. Nature Materials, Vol. 12, Issue 9 https://doi.org/10.1038/nmat3699	journal	July 2013
Effectiveness of Shearing Stresses in Accelerating Solid Phase Reactions at Low Temperatures and High Pressures Dachille, Frank; Roy, Rustum The Journal of Geology, Vol. 72, Issue 2 https://doi.org/10.1086/626979	journal	March 1964
Electrochemical extraction of lithium from LiMn2O4 Thackeray, M. M.; Johnson, P. J.; de Picciotto, L. A. Materials Research Bulletin, Vol. 19, Issue 2 https://doi.org/10.1016/0025-5408(84)90088-6	journal	February 1984
Structural Changes in Li ₂ MnO ₃ Cathode Material for Li-Ion Batteries Rana, Jatinkumar; Stan, Marian; Kloepsch, Richard Advanced Energy Materials, Vol. 4, Issue 5 https://doi.org/10.1002/aenm.201300998	journal	December 2013
Atomic insight into electrochemical inactivity of lithium chromate (LiCrO2): Irreversible migration of chromium into lithium layers in surface regions Lyu, Yingchun; Ben, Liubin; Sun, Yang Journal of Power Sources, Vol. 273 https://doi.org/10.1016/j.jpowsour.2014.09.082	journal	January 2015
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
Cation and vacancy ordering in ${Li}_{x} {CoO}_{2}$ Wolverton, C.; Zunger, Alex Physical Review B, Vol. 57, Issue 4 https://doi.org/10.1103/PhysRevB.57.2242	journal	January 1998
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
Effect of High Voltage on the Structure and Electrochemistry of LiNi _0.5 Mn _0.5 O ₂ : A Joint Experimental and Theoretical Study Bréger, Julien; Meng, Ying S.; Hinuma, Yoyo Chemistry of Materials, Vol. 18, Issue 20 https://doi.org/10.1021/cm060886r	journal	October 2006
Li ⁺ intercalation in isostructural Li ₂ VO ₃ and Li ₂ VO ₂ F with O ²⁻ and mixed O ²⁻ /F ⁻ anions Chen, Ruiyong; Ren, Shuhua; Yavuz, Murat Physical Chemistry Chemical Physics, Vol. 17, Issue 26 https://doi.org/10.1039/C5CP02505B	journal	January 2015
Reversible Mn2+/Mn4+ double redox in lithium-excess cathode materials Lee, Jinhyuk; Kitchaev, Daniil A.; Kwon, Deok-Hwang Nature, Vol. 556, Issue 7700 https://doi.org/10.1038/s41586-018-0015-4	journal	April 2018
Reversible Three-Electron Redox Reaction of Mo ³⁺ /Mo ⁶⁺ for Rechargeable Lithium Batteries Hoshino, Satoshi; Glushenkov, Alexey M.; Ichikawa, Shinnosuke ACS Energy Letters, Vol. 2, Issue 4 https://doi.org/10.1021/acsenergylett.7b00037	journal	March 2017
Lithium-cobalt-nickel-oxide cathode materials prepared at 400°C for rechargeable lithium batteries Gummow, R. J.; Thackeray, M. M. Solid State Ionics, Vol. 53-56, p. 681-687 https://doi.org/10.1016/0167-2738(92)90447-W	journal	July 1992
Lithium-Excess Cation-Disordered Rocksalt-Type Oxide with Nanoscale Phase Segregation: Li _1.25 Nb _0.25 V _0.5 O ₂ Nakajima, Mizuki; Yabuuchi, Naoaki Chemistry of Materials, Vol. 29, Issue 16 https://doi.org/10.1021/acs.chemmater.7b02343	journal	July 2017
Oxygen Activity in Li-Rich Disordered Rock-Salt Oxide and the Influence of LiNbO 3 Surface Modification on the Electrochemical Performance Cambaz, Musa Ali; Vinayan, Bhaghavathi P.; Geßwein, Holger Chemistry of Materials, Vol. 31, Issue 12 https://doi.org/10.1021/acs.chemmater.8b04504	journal	May 2019
Structural and mechanistic revelations on high capacity cation-disordered Li-rich oxides for rechargeable Li-ion batteries Zhao, Enyue; He, Lunhua; Wang, Baotian Energy Storage Materials, Vol. 16 https://doi.org/10.1016/j.ensm.2018.06.016	journal	January 2019
Ab initio study of Li + diffusion paths in the monoclinic Li 0.5 CoO 2 intercalate Catti, Michele Physical Review B, Vol. 61, Issue 3 https://doi.org/10.1103/PhysRevB.61.1795	journal	January 2000
Requirements for reversible extra-capacity in Li-rich layered oxides for Li-ion batteries Xie, Y.; Saubanère, M.; Doublet, M. -L. Energy & Environmental Science, Vol. 10, Issue 1 https://doi.org/10.1039/C6EE02328B	journal	January 2017
Another Strategy, Detouring Potential Decay by Fast Completion of Cation Mixing Liu, Shuai; Feng, Xin; Wang, Xuelong Advanced Energy Materials, Vol. 8, Issue 15 https://doi.org/10.1002/aenm.201703092	journal	February 2018
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
Recent studies of short-range order in alloys: the Cowley theory revisited Reinhard, L.; Moss, S. C. Ultramicroscopy, Vol. 52, Issue 3-4 https://doi.org/10.1016/0304-3991(93)90028-V	journal	December 1993
The intriguing question of anionic redox in high-energy density cathodes for Li-ion batteries Saubanère, M.; McCalla, E.; Tarascon, J. -M. Energy & Environmental Science, Vol. 9, Issue 3 https://doi.org/10.1039/C5EE03048J	journal	January 2016
Identifying the redox activity of cation-disordered Li–Fe–V–Ti oxide cathodes for Li-ion batteries Chen, Ruiyong; Witte, Ralf; Heinzmann, Ralf Physical Chemistry Chemical Physics, Vol. 18, Issue 11 https://doi.org/10.1039/C6CP00131A	journal	January 2016
Lithium Diffusion in Layered Li[sub x]CoO[sub 2] Van der Ven, A. Electrochemical and Solid-State Letters, Vol. 3, Issue 7 https://doi.org/10.1149/1.1391130	journal	January 1999
Computational Design and Preparation of Cation-Disordered Oxides for High-Energy-Density Li-Ion Batteries Urban, Alexander; Matts, Ian; Abdellahi, Aziz Advanced Energy Materials, Vol. 6, Issue 15 https://doi.org/10.1002/aenm.201600488	journal	May 2016
Fundamental interplay between anionic/cationic redox governing the kinetics and thermodynamics of lithium-rich cathodes Assat, Gaurav; Foix, Dominique; Delacourt, Charles Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-02291-9	journal	December 2017
Origin of voltage decay in high-capacity layered oxide electrodes Sathiya, M.; Abakumov, A. M.; Foix, D. Nature Materials, Vol. 14, Issue 2 https://doi.org/10.1038/nmat4137	journal	December 2014
Editors' Choice—Practical Assessment of Anionic Redox in Li-Rich Layered Oxide Cathodes: A Mixed Blessing for High Energy Li-Ion Batteries Assat, Gaurav; Delacourt, Charles; Corte, Daniel Alves Dalla Journal of The Electrochemical Society, Vol. 163, Issue 14 https://doi.org/10.1149/2.0531614jes	journal	January 2016
Detailed In Situ Investigation of the Electrochemical Processes in Li[sub 2]FeTiO[sub 4] Cathodes Kuezma, Mirjana; Dominko, Robert; Hanžel, Darko Journal of The Electrochemical Society, Vol. 156, Issue 10 https://doi.org/10.1149/1.3205458	journal	January 2009
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
Synthesis and electrochemical properties of cation-disordered Li-Ni-Ti-O compounds as cathode material for lithium ion batteries Liu, Yunjian; Zheng, Shengquan; Wan, Huafeng Journal of Alloys and Compounds, Vol. 728 https://doi.org/10.1016/j.jallcom.2017.08.261	journal	December 2017
Size and charge effects on the structural stability of LiMO ₂ (M = transition metal) compounds Wu, Eric J.; Tepesch, Patrick D.; Ceder, Gerbrand Philosophical Magazine B, Vol. 77, Issue 4 https://doi.org/10.1080/13642819808206403	journal	April 1998
Structural and Chemical Evolution of the Layered Li-Excess Li _x MnO ₃ as a Function of Li Content from First-Principles Calculations Lee, Eunseok; Persson, Kristin A. Advanced Energy Materials, Vol. 4, Issue 15 https://doi.org/10.1002/aenm.201400498	journal	June 2014
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
Understanding Performance Degradation in Cation‐Disordered Rock‐Salt Oxide Cathodes Chen, Dongchang; Kan, Wang Hay; Chen, Guoying Advanced Energy Materials, Vol. 9, Issue 31 https://doi.org/10.1002/aenm.201901255	journal	July 2019
On the influence of 3d4 ions on the magnetic and crystallographic properties of magnetic oxides Goodenough, John B. Journal de Physique et le Radium, Vol. 20, Issue 2-3 https://doi.org/10.1051/jphysrad:01959002002-3015500	journal	January 1959
Design and Tuning of the Electrochemical Properties of Vanadium-Based Cation-Disordered Rock-Salt Oxide Positive Electrode Material for Lithium-Ion Batteries Cambaz, Musa Ali; Vinayan, Bhaghavathi P.; Euchner, Holger ACS Applied Materials & Interfaces, Vol. 11, Issue 43 https://doi.org/10.1021/acsami.9b12566	journal	September 2019
Electronic-Structure Origin of Cation Disorder in Transition-Metal Oxides Urban, Alexander; Abdellahi, Aziz; Dacek, Stephen Physical Review Letters, Vol. 119, Issue 17 https://doi.org/10.1103/PhysRevLett.119.176402	journal	October 2017
Visualization of O-O peroxo-like dimers in high-capacity layered oxides for Li-ion batteries McCalla, E.; Abakumov, A. M.; Saubanere, M. Science, Vol. 350, Issue 6267 https://doi.org/10.1126/science.aac8260	journal	December 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
Electrochemical characteristics of Li2−xVTiO4 rock salt phase in Li-ion batteries Dominko, R.; Garrido, C. Vidal-Abraca; Bele, M. Journal of Power Sources, Vol. 196, Issue 16 https://doi.org/10.1016/j.jpowsour.2010.09.004	journal	August 2011
Lithium Extraction and Insertion Behavior of Nanocrystalline Li[sub 2]TiO[sub 3]-LiFeO[sub 2] Solid Solution with Cubic Rock Salt Structure Shigemura, Hikari; Tabuchi, Mitsuharu; Sakaebe, Hikari Journal of The Electrochemical Society, Vol. 150, Issue 5 https://doi.org/10.1149/1.1565135	journal	January 2003
Lithium-Rich Rock-Salt-Type Vanadate as Energy Storage Cathode: Li _{2– x} VO ₃ Pralong, Valerie; Gopal, Venkatesh; Caignaert, Vincent Chemistry of Materials, Vol. 24, Issue 1 https://doi.org/10.1021/cm203281q	journal	December 2011
Reversible Oxygen Participation to the Redox Processes Revealed for Li _1.20 Mn _0.54 Co _0.13 Ni _0.13 O ₂ Koga, Hideyuki; Croguennec, Laurence; Ménétrier, Michel Journal of The Electrochemical Society, Vol. 160, Issue 6 https://doi.org/10.1149/2.038306jes	journal	January 2013
Synthesis and electrochemistry of spinel LTLiCoO2 Rossen, E.; Reimers, J.; Dahn, J. Solid State Ionics, Vol. 62, Issue 1-2 https://doi.org/10.1016/0167-2738(93)90251-W	journal	July 1993
Challenges for rechargeable batteries Goodenough, J. B.; Kim, Youngsik Journal of Power Sources, Vol. 196, Issue 16 https://doi.org/10.1016/j.jpowsour.2010.11.074	journal	August 2011
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
Computational Investigation and Experimental Realization of Disordered High-Capacity Li-Ion Cathodes Based on Ni Redox Ji, Huiwen; Kitchaev, Daniil A.; Lun, Zhengyan Chemistry of Materials, Vol. 31, Issue 7 https://doi.org/10.1021/acs.chemmater.8b05096	journal	March 2019
Electrochemical activity of Li2FeTiO4 and Li2MnTiO4 as potential active materials for Li ion batteries: A comparison with Li2NiTiO4 Küzma, Mirjana; Dominko, Robert; Meden, Anton Journal of Power Sources, Vol. 189, Issue 1 https://doi.org/10.1016/j.jpowsour.2008.11.015	journal	April 2009
Mitigating oxygen loss to improve the cycling performance of high capacity cation-disordered cathode materials Lee, Jinhyuk; Papp, Joseph K.; Clément, Raphaële J. Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-01115-0	journal	October 2017
Reversible Li storage for nanosize cation/anion-disordered rocksalt-type oxyfluorides: LiMoO 2 – x LiF (0 ≤ x ≤ 2) binary system Takeda, Nanami; Hoshino, Satoshi; Xie, Lixin Journal of Power Sources, Vol. 367 https://doi.org/10.1016/j.jpowsour.2017.09.060	journal	November 2017
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
Electron Transfer Mechanisms upon Lithium Deintercalation from LiCoO ₂ to CoO ₂ Investigated by XPS Dahéron, L.; Dedryvère, R.; Martinez, H. Chemistry of Materials, Vol. 20, Issue 2 https://doi.org/10.1021/cm702546s	journal	January 2008
Stabilizing the Oxygen Lattice and Reversible Oxygen Redox Chemistry through Structural Dimensionality in Lithium-Rich Cathode Oxides Zhao, Enyue; Li, Qinghao; Meng, Fanqi Angewandte Chemie International Edition, Vol. 58, Issue 13 https://doi.org/10.1002/anie.201900444	journal	February 2019
Lithium-Excess Research of Cathode Material Li2MnTiO4 for Lithium-Ion Batteries Zhang, Xinyi; Yang, Le; Hao, Feng Nanomaterials, Vol. 5, Issue 4 https://doi.org/10.3390/nano5041985	journal	November 2015
Nanostructured cation disordered Li 2 FeTiO 4 /graphene composite as high capacity cathode for lithium-ion batteries Yang, Meng; Zhao, Xiangyu; Yao, Chi Materials Technology, Vol. 31, Issue 9 https://doi.org/10.1080/10667857.2016.1192372	journal	July 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
Unravelling Solid-State Redox Chemistry in Li _1.3 Nb _0.3 Mn _0.4 O ₂ Single-Crystal Cathode Material Kan, Wang Hay; Chen, Dongchang; Papp, Joseph K. Chemistry of Materials, Vol. 30, Issue 5 https://doi.org/10.1021/acs.chemmater.7b05036	journal	February 2018
Unraveling the Voltage-Fade Mechanism in High-Energy-Density Lithium-Ion Batteries: Origin of the Tetrahedral Cations for Spinel Conversion Mohanty, Debasish; Li, Jianlin; Abraham, Daniel P. Chemistry of Materials, Vol. 26, Issue 21 https://doi.org/10.1021/cm5031415	journal	October 2014
Improvement of Cathode Properties by Lithium Excess in Disordered Rocksalt Li<sub>2+2</sub><i><sub>x</sub></i>Mn<sub>1−</sub><i><sub>x</sub></i>Ti<sub>1−</sub><i><sub>x</sub></i>O<sub>4</sub> Kitajou, Ayuko; Tanaka, Kosuke; Miki, Hidenori Electrochemistry, Vol. 84, Issue 8 https://doi.org/10.5796/electrochemistry.84.597	journal	January 2016
Lithiation–delithiation properties of new compound LiNi0.5Ti0.5O2 with cubic structure Sun, Yucheng; Wang, Zhaoxiang; Huang, Xuejie Journal of Power Sources, Vol. 146, Issue 1-2 https://doi.org/10.1016/j.jpowsour.2005.03.067	journal	August 2005
Recent Progress and Perspective in Electrode Materials for K-Ion Batteries Kim, Haegyeom; Kim, Jae Chul; Bianchini, Matteo Advanced Energy Materials, Vol. 8, Issue 9 https://doi.org/10.1002/aenm.201702384	journal	December 2017
Factors that affect Li mobility in layered lithium transition metal oxides Kang, Kisuk; Ceder, Gerbrand Physical Review B, Vol. 74, Issue 9 https://doi.org/10.1103/PhysRevB.74.094105	journal	September 2006
A new active Li–Mn–O compound for high energy density Li-ion batteries Freire, M.; Kosova, N. V.; Jordy, C. Nature Materials, Vol. 15, Issue 2 https://doi.org/10.1038/nmat4479	journal	November 2015
Role of Electronic Structure in the Susceptibility of Metastable Transition-Metal Oxide Structures to Transformation Reed, John; Ceder, Gerbrand Chemical Reviews, Vol. 104, Issue 10 https://doi.org/10.1021/cr020733x	journal	October 2004
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
Coupling between oxygen redox and cation migration explains unusual electrochemistry in lithium-rich layered oxides Gent, William E.; Lim, Kipil; Liang, Yufeng Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-02041-x	journal	December 2017
Improved Electrode Performance of Lithium-Excess Molybdenum Oxyfluoride: Titanium Substitution with Concentrated Electrolyte Takeda, Nanami; Ikeuchi, Issei; Natsui, Ryuichi ACS Applied Energy Materials, Vol. 2, Issue 3 https://doi.org/10.1021/acsaem.9b00135	journal	February 2019
Lithium-Ion Battery Supply Chain Considerations: Analysis of Potential Bottlenecks in Critical Metals Olivetti, Elsa A.; Ceder, Gerbrand; Gaustad, Gabrielle G. Joule, Vol. 1, Issue 2 https://doi.org/10.1016/j.joule.2017.08.019	journal	October 2017
Nanostructured Li ₂ MnO ₃ : a disordered rock salt type structure for high energy density Li ion batteries Freire, M.; Lebedev, O. I.; Maignan, A. J. Mater. Chem. A, Vol. 5, Issue 41 https://doi.org/10.1039/C7TA07476J	journal	January 2017
An intuitive and efficient method for cell voltage prediction of lithium and sodium-ion batteries Saubanère, M.; Yahia, M. Ben; Lebègue, S. Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms6559	journal	November 2014
A Study of the Li x Mn (1-x) O System 1 Johnston, W. D.; Heikes, R. R. Journal of the American Chemical Society, Vol. 78, Issue 14 https://doi.org/10.1021/ja01595a006	journal	July 1956
Electrochemistry and redox characterization of rock-salt-type lithium metal oxides Li1+z/3Ni1/2-z/2Ti1/2+z/6O2 for Li-ion batteries Zheng, Shengquan; Liu, Dongming; Tao, Lei Journal of Alloys and Compounds, Vol. 773 https://doi.org/10.1016/j.jallcom.2018.09.261	journal	January 2019
Notizen: Die Strukturen von LiVO2, NaVO2, LiCrO2 und NaCrO2 Rüdorff, Walter; Becker, Hans Zeitschrift für Naturforschung B, Vol. 9, Issue 9 https://doi.org/10.1515/znb-1954-0911	journal	September 1954
Mechanisms Associated with the “Plateau” Observed at High Voltage for the Overlithiated Li _1.12 (Ni _0.425 Mn _0.425 Co _0.15 ) _0.88 O ₂ System Tran, N.; Croguennec, L.; Ménétrier, M. Chemistry of Materials, Vol. 20, Issue 15 https://doi.org/10.1021/cm070435m	journal	August 2008

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