Vacancy Ordering in O 3 -Type Layered Metal Oxide Sodium-Ion Battery Cathodes

Toumar, Alexandra J.; Ong, Shyue Ping; Richards, William Davidson; Dacek, Stephen; Ceder, Gerbrand

doi:10.1103/PhysRevApplied.4.064002

Title: Vacancy Ordering in $O 3$ -Type Layered Metal Oxide Sodium-Ion Battery Cathodes

Authors:: Toumar, Alexandra J.; Ong, Shyue Ping; Richards, William Davidson; Dacek, Stephen; Ceder, Gerbrand

Publication Date:: 2015-12-11

Sponsoring Org.:: USDOE

OSTI Identifier:: 1546119

Grant/Contract Number:: AC02-05CH11231

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Applied

Additional Journal Information:: Journal Name: Physical Review Applied Journal Volume: 4 Journal Issue: 6; Journal ID: ISSN 2331-7019

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Toumar, Alexandra J., Ong, Shyue Ping, Richards, William Davidson, Dacek, Stephen, and Ceder, Gerbrand. Vacancy Ordering in O 3 -Type Layered Metal Oxide Sodium-Ion Battery Cathodes.  United States: N. p., 2015. 
Web.  doi:10.1103/PhysRevApplied.4.064002.

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                    Toumar, Alexandra J., Ong, Shyue Ping, Richards, William Davidson, Dacek, Stephen, & Ceder, Gerbrand. Vacancy Ordering in O 3 -Type Layered Metal Oxide Sodium-Ion Battery Cathodes.  United States.  https://doi.org/10.1103/PhysRevApplied.4.064002

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                    Toumar, Alexandra J., Ong, Shyue Ping, Richards, William Davidson, Dacek, Stephen, and Ceder, Gerbrand. Fri .  
"Vacancy Ordering in O 3 -Type Layered Metal Oxide Sodium-Ion Battery Cathodes".  United States.  https://doi.org/10.1103/PhysRevApplied.4.064002.

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@article{osti_1546119,

  title        = {Vacancy Ordering in O 3 -Type Layered Metal Oxide Sodium-Ion Battery Cathodes},

  author       = {Toumar, Alexandra J. and Ong, Shyue Ping and Richards, William Davidson and Dacek, Stephen and Ceder, Gerbrand},

  abstractNote = {},

  doi          = {10.1103/PhysRevApplied.4.064002},

  journal      = {Physical Review Applied},

  number       = 6,

  volume       = 4,

  place        = {United States},

  year         = {2015},

  month        = {12}

}

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Works referenced in this record:

An investigation of the sodium patterning in NaxCoO2 (0.5⩽x⩽1) by density functional theory methods
journal, March 2008

Meng, Ying S.; Hinuma, Yoyo; Ceder, Gerbrand
The Journal of Chemical Physics, Vol. 128, Issue 10
DOI: 10.1063/1.2839292

Electrochemical Na-Deintercalation from NaVO2
journal, January 2011

Didier, C.; Guignard, M.; Denage, C.
Electrochemical and Solid-State Letters, Vol. 14, Issue 5
DOI: 10.1149/1.3555102

Electrochemical Na Insertion and Solid Electrolyte Interphase for Hard-Carbon Electrodes and Application to Na-Ion Batteries
journal, August 2011

Komaba, Shinichi; Murata, Wataru; Ishikawa, Toru
Advanced Functional Materials, Vol. 21, Issue 20
DOI: 10.1002/adfm.201100854

Configurational Electronic Entropy and the Phase Diagram of Mixed-Valence Oxides: The Case of ${Li}_{x} {FePO}_{4}$
journal, October 2006

Zhou, Fei; Maxisch, Thomas; Ceder, Gerbrand
Physical Review Letters, Vol. 97, Issue 15
DOI: 10.1103/PhysRevLett.97.155704

Projector augmented-wave method
journal, December 1994

Blöchl, P. E.
Physical Review B, Vol. 50, Issue 24, p. 17953-17979
DOI: 10.1103/PhysRevB.50.17953

Sodium deintercalation from sodium iron oxide
journal, June 1994

Takeda, Yasuo; Nakahara, Kazuaki; Nishijima, Motoaki
Materials Research Bulletin, Vol. 29, Issue 6
DOI: 10.1016/0025-5408(94)90122-8

NaTiO ₂ : a layered anode material for sodium-ion batteries
journal, January 2015

Wu, Di; Li, Xin; Xu, Bo
Energy & Environmental Science, Vol. 8, Issue 1
DOI: 10.1039/C4EE03045A

Probing Lithium and Vacancy Ordering in O3 Layered Li[sub x]CoO[sub 2] (x≈0.5)
journal, January 2003

Shao-Horn, Y.; Levasseur, S.; Weill, F.
Journal of The Electrochemical Society, Vol. 150, Issue 3
DOI: 10.1149/1.1553787

NaxVO2 as possible electrode for Na-ion batteries
journal, September 2011

Hamani, David; Ati, Mohamed; Tarascon, Jean-Marie
Electrochemistry Communications, Vol. 13, Issue 9
DOI: 10.1016/j.elecom.2011.06.005

Electrochemical intercalation of sodium in NaxCoO2 bronzes
journal, August 1981

Delmas, C.; Braconnier, J.; Fouassier, C.
Solid State Ionics, Vol. 3-4
DOI: 10.1016/0167-2738(81)90076-X

P2-Na0.6[Cr0.6Ti0.4]O2 cation-disordered electrode for high-rate symmetric rechargeable sodium-ion batteries
journal, April 2015

Wang, Yuesheng; Xiao, Ruijuan; Hu, Yong-Sheng
Nature Communications, Vol. 6, Issue 1
DOI: 10.1038/ncomms7954

Structural evolution and electrochemistry of monoclinic NaNiO2 upon the first cycling process
journal, July 2014

Han, Man Huon; Gonzalo, Elena; Casas-Cabanas, Montse
Journal of Power Sources, Vol. 258
DOI: 10.1016/j.jpowsour.2014.02.048

Crystal Structures and Electrode Performance of Alpha-NaFeO2 for Rechargeable Sodium Batteries
journal, January 2012

Yabuuchi, Naoaki; Yoshida, Hiroaki; Komaba, Shinichi
Electrochemistry, Vol. 80, Issue 10
DOI: 10.5796/electrochemistry.80.716

Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials
journal, January 2011

Ong, Shyue Ping; Chevrier, Vincent L.; Hautier, Geoffroy
Energy & Environmental Science, Vol. 4, Issue 9
DOI: 10.1039/c1ee01782a

Ground State Structure of Triangular Lattice Gas Model with up to 3rd Neighbor Interactions
journal, March 1978

Kaburagi, Makoto; Kanamori, Junjiro
Journal of the Physical Society of Japan, Vol. 44, Issue 3
DOI: 10.1143/JPSJ.44.718

In Situ X-Ray Diffraction Study of P2-Na[sub 2/3][Ni[sub 1/3]Mn[sub 2/3]]O[sub 2]
journal, January 2001

Lu, Zhonghua; Dahn, J. R.
Journal of The Electrochemical Society, Vol. 148, Issue 11
DOI: 10.1149/1.1407247

Direct visualization of the Jahn–Teller effect coupled to Na ordering in Na5/8MnO2
journal, May 2014

Li, Xin; Ma, Xiaohua; Su, Dong
Nature Materials, Vol. 13, Issue 6
DOI: 10.1038/nmat3964

First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA + U method
journal, January 1997

Anisimov, Vladimir I.; Aryasetiawan, F.; Lichtenstein, A. I.
Journal of Physics: Condensed Matter, Vol. 9, Issue 4, p. 767-808
DOI: 10.1088/0953-8984/9/4/002

First-principles calculations of lithium ordering and phase stability on ${Li}_{x} {NiO}_{2}$
journal, August 2002

Arroyo y. de Dompablo, M. E.; Van der Ven, A.; Ceder, G.
Physical Review B, Vol. 66, Issue 6
DOI: 10.1103/PhysRevB.66.064112

First-principles investigation of phase stability in ${Li}_{x} {CoO}_{2}$
journal, August 1998

Van der Ven, A.; Aydinol, M. K.; Ceder, G.
Physical Review B, Vol. 58, Issue 6
DOI: 10.1103/PhysRevB.58.2975

Coupled Ion/Electron Hopping in Li _x NiO ₂ : A ⁷ Li NMR Study
journal, February 2006

Chazel, C.; Ménétrier, M.; Croguennec, L.
Inorganic Chemistry, Vol. 45, Issue 3
DOI: 10.1021/ic051593n

A study of the Na x TiO2 system by electrochemical deintercalation
journal, January 1983

Maazaz, A.; Delmas, C.; Hagenmuller, P.
Journal of Inclusion Phenomena, Vol. 1, Issue 1
DOI: 10.1007/BF00658014

O3-type Na(Mn0.25Fe0.25Co0.25Ni0.25)O2: A quaternary layered cathode compound for rechargeable Na ion batteries
journal, December 2014

Li, Xin; Wu, Di; Zhou, Yong-Ning
Electrochemistry Communications, Vol. 49
DOI: 10.1016/j.elecom.2014.10.003

Electrochemical and In Situ X‐Ray Diffraction Studies of Lithium Intercalation in Li_xCoO₂
journal, January 1992

Reimers, Jan N.; Dahn, J. R.
Journal of The Electrochemical Society, Vol. 139, Issue 8, p. 2091-2097
DOI: 10.1149/1.2221184

Electrochemical intercalation activity of layered NaCrO2 vs. LiCrO2
journal, March 2010

Komaba, Shinichi; Takei, Chikara; Nakayama, Tetsuri
Electrochemistry Communications, Vol. 12, Issue 3
DOI: 10.1016/j.elecom.2009.12.033

Electrochemically Reversible Sodium Intercalation of Layered NaNi0.5Mn0.5O2 and NaCrO2
conference, January 2009

Komaba, Shinichi; Nakayama, Tetsuri; Ogata, Atsushi
214th ECS Meeting, ECS Transactions
DOI: 10.1149/1.3112727

Electrode Materials for Rechargeable Sodium-Ion Batteries: Potential Alternatives to Current Lithium-Ion Batteries
journal, May 2012

Kim, Sung-Wook; Seo, Dong-Hwa; Ma, Xiaohua
Advanced Energy Materials, Vol. 2, Issue 7, p. 710-721
DOI: 10.1002/aenm.201200026

Electrochemical Properties of Monoclinic NaNiO ₂
journal, November 2012

Vassilaras, Plousia; Ma, Xiaohua; Li, Xin
Journal of The Electrochemical Society, Vol. 160, Issue 2
DOI: 10.1149/2.023302jes

New Insight into Structural Evolution in Layered NaCrO ₂ during Electrochemical Sodium Extraction
journal, December 2014

Kubota, Kei; Ikeuchi, Issei; Nakayama, Tetsuri
The Journal of Physical Chemistry C, Vol. 119, Issue 1
DOI: 10.1021/jp5105888

Research Development on Sodium-Ion Batteries
journal, October 2014

Yabuuchi, Naoaki; Kubota, Kei; Dahbi, Mouad
Chemical Reviews, Vol. 114, Issue 23
DOI: 10.1021/cr500192f

Phase diagrams of lithium transition metal oxides: investigations from first principles
journal, September 1999

Ceder, Gerbrand; Van der Ven, Anton
Electrochimica Acta, Vol. 45, Issue 1-2, p. 131-150
DOI: 10.1016/S0013-4686(99)00199-1

Electrochemical aspects of the deintercalation of layered AMO2 compounds
journal, January 1985

Kikkawa, S.; Miyazaki, S.; Koizumi, M.
Journal of Power Sources, Vol. 14, Issue 1-3
DOI: 10.1016/0378-7753(85)88035-6

Ground-state phase diagram of Na _x CoO ₂ : correlation of Na ordering with CoO ₂ stacking sequences
journal, December 2008

Wang, Yanli; Ding, Yi; Ni, Jun
Journal of Physics: Condensed Matter, Vol. 21, Issue 3
DOI: 10.1088/0953-8984/21/3/035401

P2-NaxVO2 system as electrodes for batteries and electron-correlated materials
journal, November 2012

Guignard, Marie; Didier, Christophe; Darriet, Jacques
Nature Materials, Vol. 12, Issue 1
DOI: 10.1038/nmat3478

Electrochemical Properties of Monoclinic NaMnO2
journal, January 2011

Ma, Xiaohua; Chen, Hailong; Ceder, Gerbrand
Journal of The Electrochemical Society, Vol. 158, Issue 12
DOI: 10.1149/2.035112jes

First-Principles Prediction of Vacancy Order-Disorder and Intercalation Battery Voltages in ${Li}_{x} {CoO}_{2}$
journal, July 1998

Wolverton, C.; Zunger, Alex
Physical Review Letters, Vol. 81, Issue 3
DOI: 10.1103/PhysRevLett.81.606

O′3–Na _x VO ₂ System: A Superstructure for Na _1/2 VO ₂
journal, September 2012

Didier, Christophe; Guignard, Marie; Darriet, Jacques
Inorganic Chemistry, Vol. 51, Issue 20
DOI: 10.1021/ic301505e

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Kresse, G.; Furthmüller, J.
Physical Review B, Vol. 54, Issue 16, p. 11169-11186
DOI: 10.1103/PhysRevB.54.11169

$\sqrt{3}\times\sqrt{3}$ Structure on the Triangular Lattice
journal, August 1985

Saito, Yukio; Tabe, Ganji
Journal of the Physical Society of Japan, Vol. 54, Issue 8
DOI: 10.1143/JPSJ.54.2955

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

A high-throughput infrastructure for density functional theory calculations
journal, June 2011

Jain, Anubhav; Hautier, Geoffroy; Moore, Charles J.
Computational Materials Science, Vol. 50, Issue 8
DOI: 10.1016/j.commatsci.2011.02.023

Temperature-concentration phase diagram of $P 2 {-Na}_{x} {CoO}_{2}$ from first-principles calculations
journal, June 2008

Hinuma, Yoyo; Meng, Ying S.; Ceder, Gerbrand
Physical Review B, Vol. 77, Issue 22
DOI: 10.1103/PhysRevB.77.224111

Sodium-Ion Batteries
journal, May 2012

Slater, Michael D.; Kim, Donghan; Lee, Eungje
Advanced Functional Materials, Vol. 23, Issue 8, p. 947-958
DOI: 10.1002/adfm.201200691

First-principles calculations on LixNiO2: phase stability and monoclinic distortion
journal, June 2003

Arroyo y. de Dompablo, M. E.; Ceder, G.
Journal of Power Sources, Vol. 119-121
DOI: 10.1016/S0378-7753(03)00199-X

Electrochemical intercalation and deintercalation of NaxMnO2 bronzes
journal, May 1985

Mendiboure, A.; Delmas, C.; Hagenmuller, P.
Journal of Solid State Chemistry, Vol. 57, Issue 3
DOI: 10.1016/0022-4596(85)90194-X

Rationale for mixing exact exchange with density functional approximations
journal, December 1996

Perdew, John P.; Ernzerhof, Matthias; Burke, Kieron
The Journal of Chemical Physics, Vol. 105, Issue 22, p. 9982-9985
DOI: 10.1063/1.472933

Triplet interactions and the c(2×2) overlayer phase diagram
journal, February 1993

Ceder, G.; Dreyssé, H.; de Fontaine, D.
Physica A: Statistical Mechanics and its Applications, Vol. 193, Issue 1
DOI: 10.1016/0378-4371(93)90217-R

Structural classification and properties of the layered oxides
journal, January 1980

Delmas, C.; Fouassier, C.; Hagenmuller, P.
Physica B+C, Vol. 99, Issue 1-4
DOI: 10.1016/0378-4363(80)90214-4

Etude par desintercalation electrochimique des systemes NaxCrO2 et NaxNiO2
journal, August 1982

Braconnier, J. J.; Delmas, C.; Hagenmuller, P.
Materials Research Bulletin, Vol. 17, Issue 8
DOI: 10.1016/0025-5408(82)90124-6

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Title: Vacancy Ordering in O 3 -Type Layered Metal Oxide Sodium-Ion Battery Cathodes

Citation Formats

An investigation of the sodium patterning in NaxCoO2 (0.5⩽x⩽1) by density functional theory methods journal, March 2008

Electrochemical Na-Deintercalation from NaVO2 journal, January 2011

Electrochemical Na Insertion and Solid Electrolyte Interphase for Hard-Carbon Electrodes and Application to Na-Ion Batteries journal, August 2011

Configurational Electronic Entropy and the Phase Diagram of Mixed-Valence Oxides: The Case of Li x FePO 4 journal, October 2006

Projector augmented-wave method journal, December 1994

Sodium deintercalation from sodium iron oxide journal, June 1994

NaTiO 2 : a layered anode material for sodium-ion batteries journal, January 2015

Probing Lithium and Vacancy Ordering in O3 Layered Li[sub x]CoO[sub 2] (x≈0.5) journal, January 2003

NaxVO2 as possible electrode for Na-ion batteries journal, September 2011

Electrochemical intercalation of sodium in NaxCoO2 bronzes journal, August 1981

P2-Na0.6[Cr0.6Ti0.4]O2 cation-disordered electrode for high-rate symmetric rechargeable sodium-ion batteries journal, April 2015

Structural evolution and electrochemistry of monoclinic NaNiO2 upon the first cycling process journal, July 2014

Crystal Structures and Electrode Performance of Alpha-NaFeO2 for Rechargeable Sodium Batteries journal, January 2012

Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials journal, January 2011

Ground State Structure of Triangular Lattice Gas Model with up to 3rd Neighbor Interactions journal, March 1978

In Situ X-Ray Diffraction Study of P2-Na[sub 2/3][Ni[sub 1/3]Mn[sub 2/3]]O[sub 2] journal, January 2001

Direct visualization of the Jahn–Teller effect coupled to Na ordering in Na5/8MnO2 journal, May 2014

First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA + U method journal, January 1997

First-principles calculations of lithium ordering and phase stability on Li x NiO 2 journal, August 2002

First-principles investigation of phase stability in Li x CoO 2 journal, August 1998

Coupled Ion/Electron Hopping in Li x NiO 2 : A 7 Li NMR Study journal, February 2006

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Electrode Materials for Rechargeable Sodium-Ion Batteries: Potential Alternatives to Current Lithium-Ion Batteries journal, May 2012

Electrochemical Properties of Monoclinic NaNiO 2 journal, November 2012

New Insight into Structural Evolution in Layered NaCrO 2 during Electrochemical Sodium Extraction journal, December 2014

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Phase diagrams of lithium transition metal oxides: investigations from first principles journal, September 1999

Electrochemical aspects of the deintercalation of layered AMO2 compounds journal, January 1985

Ground-state phase diagram of Na x CoO 2 : correlation of Na ordering with CoO 2 stacking sequences journal, December 2008

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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

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First-principles calculations on LixNiO2: phase stability and monoclinic distortion journal, June 2003

Electrochemical intercalation and deintercalation of NaxMnO2 bronzes journal, May 1985

Rationale for mixing exact exchange with density functional approximations journal, December 1996

Triplet interactions and the c(2×2) overlayer phase diagram journal, February 1993

Structural classification and properties of the layered oxides journal, January 1980

Etude par desintercalation electrochimique des systemes NaxCrO2 et NaxNiO2 journal, August 1982

Title: Vacancy Ordering in $O 3$ -Type Layered Metal Oxide Sodium-Ion Battery Cathodes

An investigation of the sodium patterning in NaxCoO2 (0.5⩽x⩽1) by density functional theory methods
journal, March 2008

Electrochemical Na-Deintercalation from NaVO2
journal, January 2011

Electrochemical Na Insertion and Solid Electrolyte Interphase for Hard-Carbon Electrodes and Application to Na-Ion Batteries
journal, August 2011

Configurational Electronic Entropy and the Phase Diagram of Mixed-Valence Oxides: The Case of ${Li}_{x} {FePO}_{4}$
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Projector augmented-wave method
journal, December 1994

Sodium deintercalation from sodium iron oxide
journal, June 1994

NaTiO ₂ : a layered anode material for sodium-ion batteries
journal, January 2015

Probing Lithium and Vacancy Ordering in O3 Layered Li[sub x]CoO[sub 2] (x≈0.5)
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Electrochemical intercalation of sodium in NaxCoO2 bronzes
journal, August 1981

P2-Na0.6[Cr0.6Ti0.4]O2 cation-disordered electrode for high-rate symmetric rechargeable sodium-ion batteries
journal, April 2015

Structural evolution and electrochemistry of monoclinic NaNiO2 upon the first cycling process
journal, July 2014

Crystal Structures and Electrode Performance of Alpha-NaFeO2 for Rechargeable Sodium Batteries
journal, January 2012

Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials
journal, January 2011

Ground State Structure of Triangular Lattice Gas Model with up to 3rd Neighbor Interactions
journal, March 1978

In Situ X-Ray Diffraction Study of P2-Na[sub 2/3][Ni[sub 1/3]Mn[sub 2/3]]O[sub 2]
journal, January 2001

Direct visualization of the Jahn–Teller effect coupled to Na ordering in Na5/8MnO2
journal, May 2014

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journal, January 1997

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journal, August 2002

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journal, August 1998

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journal, January 1983

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conference, January 2009

Electrode Materials for Rechargeable Sodium-Ion Batteries: Potential Alternatives to Current Lithium-Ion Batteries
journal, May 2012

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journal, November 2012

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journal, December 2014

Research Development on Sodium-Ion Batteries
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Phase diagrams of lithium transition metal oxides: investigations from first principles
journal, September 1999

Electrochemical aspects of the deintercalation of layered AMO2 compounds
journal, January 1985

Ground-state phase diagram of Na _x CoO ₂ : correlation of Na ordering with CoO ₂ stacking sequences
journal, December 2008

P2-NaxVO2 system as electrodes for batteries and electron-correlated materials
journal, November 2012

Electrochemical Properties of Monoclinic NaMnO2
journal, January 2011

First-Principles Prediction of Vacancy Order-Disorder and Intercalation Battery Voltages in ${Li}_{x} {CoO}_{2}$
journal, July 1998

O′3–Na _x VO ₂ System: A Superstructure for Na _1/2 VO ₂
journal, September 2012

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

\(\sqrt{3}\times\sqrt{3}\) Structure on the Triangular Lattice
journal, August 1985

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

A high-throughput infrastructure for density functional theory calculations
journal, June 2011

Temperature-concentration phase diagram of $P 2 {-Na}_{x} {CoO}_{2}$ from first-principles calculations
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Sodium-Ion Batteries
journal, May 2012

First-principles calculations on LixNiO2: phase stability and monoclinic distortion
journal, June 2003

Electrochemical intercalation and deintercalation of NaxMnO2 bronzes
journal, May 1985

Rationale for mixing exact exchange with density functional approximations
journal, December 1996

Triplet interactions and the c(2×2) overlayer phase diagram
journal, February 1993

Structural classification and properties of the layered oxides
journal, January 1980

Etude par desintercalation electrochimique des systemes NaxCrO2 et NaxNiO2
journal, August 1982