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.; Cliffe, Matthew J.; Dutton, Siân E.; Grey, Clare P.

doi:10.1039/C9CC04250D

Title: Short-range ordering in a battery electrode, the ‘cation-disordered’ rocksalt Li _1.25 Nb _0.25 Mn _0.5 O ₂

Abstract

We demonstrate short-range ordering in Li-ion battery material Li _1.25 Nb _0.25 Mn _0.5 O ₂ , and identify its local structure and correlation length—which is sensitive to synthesis conditions and has important consequences for the material's electrochemistry.

Authors:

^[1];

^[1]; Seymour, Ieuan D. ^[1];

^[2];

^[3]; Grey, Clare P. ^[1]

Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK
School of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, UK
Cavendish Laboratory, Department of Physics, University of Cambridge, JJ Thomson Avenue, Cambridge, CB3 0HE, UK

Publication Date:: Thu Jul 25 00:00:00 EDT 2019

Sponsoring Org.:: USDOE

OSTI Identifier:: 1532792

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: ChemComm

Additional Journal Information:: Journal Name: ChemComm Journal Volume: 55 Journal Issue: 61; Journal ID: ISSN 1359-7345

Publisher:: Royal Society of Chemistry (RSC)

Country of Publication:: United Kingdom

Language:: English

Citation Formats


                    Jones, Michael A., Reeves, Philip J., Seymour, Ieuan D., Cliffe, Matthew J., Dutton, Siân E., and Grey, Clare P. Short-range ordering in a battery electrode, the ‘cation-disordered’ rocksalt Li 1.25 Nb 0.25 Mn 0.5 O 2.  United Kingdom: N. p., 2019. 
Web.  doi:10.1039/C9CC04250D.

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                    Jones, Michael A., Reeves, Philip J., Seymour, Ieuan D., Cliffe, Matthew J., Dutton, Siân E., & Grey, Clare P. Short-range ordering in a battery electrode, the ‘cation-disordered’ rocksalt Li 1.25 Nb 0.25 Mn 0.5 O 2.  United Kingdom.  https://doi.org/10.1039/C9CC04250D

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                    Jones, Michael A., Reeves, Philip J., Seymour, Ieuan D., Cliffe, Matthew J., Dutton, Siân E., and Grey, Clare P. Thu .  
"Short-range ordering in a battery electrode, the ‘cation-disordered’ rocksalt Li 1.25 Nb 0.25 Mn 0.5 O 2".  United Kingdom.  https://doi.org/10.1039/C9CC04250D.

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@article{osti_1532792,

  title        = {Short-range ordering in a battery electrode, the ‘cation-disordered’ rocksalt Li 1.25 Nb 0.25 Mn 0.5 O 2},

  author       = {Jones, Michael A. and Reeves, Philip J. and Seymour, Ieuan D. and Cliffe, Matthew J. and Dutton, Siân E. and Grey, Clare P.},

  abstractNote = {We demonstrate short-range ordering in Li-ion battery material Li 1.25 Nb 0.25 Mn 0.5 O 2 , and identify its local structure and correlation length—which is sensitive to synthesis conditions and has important consequences for the material's electrochemistry.},

  doi          = {10.1039/C9CC04250D},

  journal      = {ChemComm},

  number       = 61,

  volume       = 55,

  place        = {United Kingdom},

  year         = {Thu Jul 25 00:00:00 EDT 2019},

  month        = {Thu Jul 25 00:00:00 EDT 2019}

}

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Works referenced in this record:

Double-slit photoelectron interference in strong-field ionization of the neon dimer
journal, January 2019

Kunitski, Maksim; Eicke, Nicolas; Huber, Pia
Nature Communications, Vol. 10, Issue 1
DOI: 10.1038/s41467-018-07882-8

Anionic Redox in Rechargeable Lithium Batteries
journal, June 2017

Li, Biao; Xia, Dingguo
Advanced Materials, Vol. 29, Issue 48
DOI: 10.1002/adma.201701054

Charge-compensation in 3d-transition-metal-oxide intercalation cathodes through the generation of localized electron holes on oxygen
journal, March 2016

Luo, Kun; Roberts, Matthew R.; Hao, Rong
Nature Chemistry, Vol. 8, Issue 7
DOI: 10.1038/nchem.2471

Isotropic High Field NMR Spectra of Li-Ion Battery Materials with Anisotropy >1 MHz
journal, January 2012

Hung, Ivan; Zhou, Lina; Pourpoint, Frédérique
Journal of the American Chemical Society, Vol. 134, Issue 4
DOI: 10.1021/ja209600m

Review—Li-Rich Layered Oxide Cathodes for Next-Generation Li-Ion Batteries: Chances and Challenges
journal, January 2015

Rozier, Patrick; Tarascon, Jean Marie
Journal of The Electrochemical Society, Vol. 162, Issue 14
DOI: 10.1149/2.0111514jes

A review of cation-ordered rock salt superstructure oxides
journal, January 2000

Mather, Glenn C.; Dussarrat, Christian; Etourneau, Jean
Journal of Materials Chemistry, Vol. 10, Issue 10
DOI: 10.1039/b000817f

The structural and chemical origin of the oxygen redox activity in layered and cation-disordered Li-excess cathode materials
journal, May 2016

Seo, Dong-Hwa; Lee, Jinhyuk; Urban, Alexander
Nature Chemistry, Vol. 8, Issue 7
DOI: 10.1038/nchem.2524

Unravelling Solid-State Redox Chemistry in Li _1.3 Nb _0.3 Mn _0.4 O ₂ Single-Crystal Cathode Material
journal, February 2018

Kan, Wang Hay; Chen, Dongchang; Papp, Joseph K.
Chemistry of Materials, Vol. 30, Issue 5
DOI: 10.1021/acs.chemmater.7b05036

Understanding the Effect of Local Short-Range Ordering on Lithium Diffusion in Li1.3Nb0.3Mn0.4O2 Single-Crystal Cathode
journal, September 2018

Kan, Wang Hay; Deng, Biao; Xu, Yahong
Chem, Vol. 4, Issue 9
DOI: 10.1016/j.chempr.2018.05.008

Unlocking the Potential of Cation-Disordered Oxides for Rechargeable Lithium Batteries
journal, January 2014

Lee, J.; Urban, A.; Li, X.
Science, Vol. 343, Issue 6170
DOI: 10.1126/science.1246432

Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides
journal, July 1997

Aydinol, M. K.; Kohan, A. F.; Ceder, G.
Physical Review B, Vol. 56, Issue 3
DOI: 10.1103/PhysRevB.56.1354

Combined NMR and XAS Study on Local Environments and Electronic Structures of Electrochemically Li-Ion Deintercalated Li[sub 1−x]Co[sub 1/3]Ni[sub 1/3]Mn[sub 1/3]O[sub 2] Electrode System
journal, January 2004

Yoon, Won-Sub; Grey, Clare P.; Balasubramanian, Mahalingam
Electrochemical and Solid-State Letters, Vol. 7, Issue 3
DOI: 10.1149/1.1643592

Understanding the NMR shifts in paramagnetic transition metal oxides using density functional theory calculations
journal, May 2003

Carlier, D.; Ménétrier, M.; Grey, C. P.
Physical Review B, Vol. 67, Issue 17
DOI: 10.1103/PhysRevB.67.174103

An interpretation of the magnetic properties of the perovskite-type mixed crystals La1−xSrxCoO3−λ
journal, August 1958

Goodenough, John B.
Journal of Physics and Chemistry of Solids, Vol. 6, Issue 2-3
DOI: 10.1016/0022-3697(58)90107-0

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
journal, November 2015

Wang, Rui; Li, Xin; Liu, Lei
Electrochemistry Communications, Vol. 60
DOI: 10.1016/j.elecom.2015.08.003

The Configurational Space of Rocksalt-Type Oxides for High-Capacity Lithium Battery Electrodes
journal, May 2014

Urban, Alexander; Lee, Jinhyuk; Ceder, Gerbrand
Advanced Energy Materials, Vol. 4, Issue 13
DOI: 10.1002/aenm.201400478

Origin of stabilization and destabilization in solid-state redox reaction of oxide ions for lithium-ion batteries
journal, December 2016

Yabuuchi, Naoaki; Nakayama, Masanobu; Takeuchi, Mitsue
Nature Communications, Vol. 7, Issue 1
DOI: 10.1038/ncomms13814

A profile refinement method for nuclear and magnetic structures
journal, June 1969

Rietveld, H. M.
Journal of Applied Crystallography, Vol. 2, Issue 2, p. 65-71
DOI: 10.1107/S0021889869006558

High-capacity electrode materials for rechargeable lithium batteries: Li ₃ NbO ₄ -based system with cation-disordered rocksalt structure
journal, June 2015

Yabuuchi, Naoaki; Takeuchi, Mitsue; Nakayama, Masanobu
Proceedings of the National Academy of Sciences, Vol. 112, Issue 25
DOI: 10.1073/pnas.1504901112

Theory of the Magnetic Properties of Ferrous and Cobaltous Oxides, I
journal, February 1957

Kanamori, Junjiro
Progress of Theoretical Physics, Vol. 17, Issue 2
DOI: 10.1143/PTP.17.177

A new class of high capacity cation-disordered oxides for rechargeable lithium batteries: Li–Ni–Ti–Mo oxides
journal, January 2015

Lee, Jinhyuk; Seo, Dong-Hwa; Balasubramanian, Mahalingam
Energy & Environmental Science, Vol. 8, Issue 11
DOI: 10.1039/C5EE02329G

ISODISPLACE : a web-based tool for exploring structural distortions
journal, July 2006

Campbell, Branton J.; Stokes, Harold T.; Tanner, David E.
Journal of Applied Crystallography, Vol. 39, Issue 4
DOI: 10.1107/S0021889806014075

Evolution of Local Structural Ordering and Chemical Distribution upon Delithiation of a Rock Salt–Structured Li _1.3 Ta _0.3 Mn _0.4 O ₂ Cathode
journal, February 2019

Kan, Wang Hay; Wei, Chenxi; Chen, Dongchang
Advanced Functional Materials, Vol. 29, Issue 17
DOI: 10.1002/adfm.201808294

Enabling the high capacity of lithium-rich anti-fluorite lithium iron oxide by simultaneous anionic and cationic redox
journal, December 2017

Zhan, Chun; Yao, Zhenpeng; Lu, Jun
Nature Energy, Vol. 2, Issue 12
DOI: 10.1038/s41560-017-0043-6

Solid-state Redox Reaction of Oxide Ions for Rechargeable Batteries
journal, April 2017

Yabuuchi, Naoaki
Chemistry Letters, Vol. 46, Issue 4
DOI: 10.1246/cl.161044

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Title: Short-range ordering in a battery electrode, the ‘cation-disordered’ rocksalt Li 1.25 Nb 0.25 Mn 0.5 O 2

Abstract

Citation Formats

Double-slit photoelectron interference in strong-field ionization of the neon dimer journal, January 2019

Anionic Redox in Rechargeable Lithium Batteries journal, June 2017

Charge-compensation in 3d-transition-metal-oxide intercalation cathodes through the generation of localized electron holes on oxygen journal, March 2016

Isotropic High Field NMR Spectra of Li-Ion Battery Materials with Anisotropy >1 MHz journal, January 2012

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A review of cation-ordered rock salt superstructure oxides journal, January 2000

The structural and chemical origin of the oxygen redox activity in layered and cation-disordered Li-excess cathode materials journal, May 2016

Unravelling Solid-State Redox Chemistry in Li 1.3 Nb 0.3 Mn 0.4 O 2 Single-Crystal Cathode Material journal, February 2018

Understanding the Effect of Local Short-Range Ordering on Lithium Diffusion in Li1.3Nb0.3Mn0.4O2 Single-Crystal Cathode journal, September 2018

Unlocking the Potential of Cation-Disordered Oxides for Rechargeable Lithium Batteries journal, January 2014

Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides journal, July 1997

Combined NMR and XAS Study on Local Environments and Electronic Structures of Electrochemically Li-Ion Deintercalated Li[sub 1−x]Co[sub 1/3]Ni[sub 1/3]Mn[sub 1/3]O[sub 2] Electrode System journal, January 2004

Understanding the NMR shifts in paramagnetic transition metal oxides using density functional theory calculations journal, May 2003

An interpretation of the magnetic properties of the perovskite-type mixed crystals La1−xSrxCoO3−λ journal, August 1958

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 journal, November 2015

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Origin of stabilization and destabilization in solid-state redox reaction of oxide ions for lithium-ion batteries journal, December 2016

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Theory of the Magnetic Properties of Ferrous and Cobaltous Oxides, I journal, February 1957

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ISODISPLACE : a web-based tool for exploring structural distortions journal, July 2006

Evolution of Local Structural Ordering and Chemical Distribution upon Delithiation of a Rock Salt–Structured Li 1.3 Ta 0.3 Mn 0.4 O 2 Cathode journal, February 2019

Enabling the high capacity of lithium-rich anti-fluorite lithium iron oxide by simultaneous anionic and cationic redox journal, December 2017

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Title: Short-range ordering in a battery electrode, the ‘cation-disordered’ rocksalt Li _1.25 Nb _0.25 Mn _0.5 O ₂

Double-slit photoelectron interference in strong-field ionization of the neon dimer
journal, January 2019

Anionic Redox in Rechargeable Lithium Batteries
journal, June 2017

Charge-compensation in 3d-transition-metal-oxide intercalation cathodes through the generation of localized electron holes on oxygen
journal, March 2016

Isotropic High Field NMR Spectra of Li-Ion Battery Materials with Anisotropy >1 MHz
journal, January 2012

Review—Li-Rich Layered Oxide Cathodes for Next-Generation Li-Ion Batteries: Chances and Challenges
journal, January 2015

A review of cation-ordered rock salt superstructure oxides
journal, January 2000

The structural and chemical origin of the oxygen redox activity in layered and cation-disordered Li-excess cathode materials
journal, May 2016

Unravelling Solid-State Redox Chemistry in Li _1.3 Nb _0.3 Mn _0.4 O ₂ Single-Crystal Cathode Material
journal, February 2018

Understanding the Effect of Local Short-Range Ordering on Lithium Diffusion in Li1.3Nb0.3Mn0.4O2 Single-Crystal Cathode
journal, September 2018

Unlocking the Potential of Cation-Disordered Oxides for Rechargeable Lithium Batteries
journal, January 2014

Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides
journal, July 1997

Combined NMR and XAS Study on Local Environments and Electronic Structures of Electrochemically Li-Ion Deintercalated Li[sub 1−x]Co[sub 1/3]Ni[sub 1/3]Mn[sub 1/3]O[sub 2] Electrode System
journal, January 2004

Understanding the NMR shifts in paramagnetic transition metal oxides using density functional theory calculations
journal, May 2003

An interpretation of the magnetic properties of the perovskite-type mixed crystals La1−xSrxCoO3−λ
journal, August 1958

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
journal, November 2015

The Configurational Space of Rocksalt-Type Oxides for High-Capacity Lithium Battery Electrodes
journal, May 2014

Origin of stabilization and destabilization in solid-state redox reaction of oxide ions for lithium-ion batteries
journal, December 2016

A profile refinement method for nuclear and magnetic structures
journal, June 1969

High-capacity electrode materials for rechargeable lithium batteries: Li ₃ NbO ₄ -based system with cation-disordered rocksalt structure
journal, June 2015

Theory of the Magnetic Properties of Ferrous and Cobaltous Oxides, I
journal, February 1957

A new class of high capacity cation-disordered oxides for rechargeable lithium batteries: Li–Ni–Ti–Mo oxides
journal, January 2015

ISODISPLACE : a web-based tool for exploring structural distortions
journal, July 2006

Evolution of Local Structural Ordering and Chemical Distribution upon Delithiation of a Rock Salt–Structured Li _1.3 Ta _0.3 Mn _0.4 O ₂ Cathode
journal, February 2019

Enabling the high capacity of lithium-rich anti-fluorite lithium iron oxide by simultaneous anionic and cationic redox
journal, December 2017

Solid-state Redox Reaction of Oxide Ions for Rechargeable Batteries
journal, April 2017