A First-Principles and Experimental Investigation of Nickel Solubility into the P2 NaxCoO2 Sodium-Ion Cathode

Bianchini, Matteo; Wang, Jingyang; Clément, Raphaële; Ceder, Gerbrand

doi:10.1002/aenm.201801446

A First-Principles and Experimental Investigation of Nickel Solubility into the P2 Na_xCoO₂ Sodium-Ion Cathode

Journal Article · 02 August 2018 · Advanced Energy Materials

DOI:https://doi.org/10.1002/aenm.201801446· OSTI ID:1474175

^[1]; Wang, Jingyang ^[1]; Clément, Raphaële ^[1]; ^[1]

Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley CA 94720 USA; Department of Materials Science and Engineering, University of California, Berkeley CA 94720 USA

Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: INDUSTRY

OSTI ID:: 1474175

Journal Information:: Advanced Energy Materials, Vol. 8, Issue 26; ISSN 1614-6832

Publisher:: Wiley

Country of Publication:: United States

Language:: ENGLISH

References (92)

Polyanionic Insertion Materials for Sodium-Ion Batteries Barpanda, Prabeer; Lander, Laura; Nishimura, Shin-ichi Advanced Energy Materials, Vol. 8, Issue 17 https://doi.org/10.1002/aenm.201703055	journal	April 2018
High Performance Na _0.5 [Ni _0.23 Fe _0.13 Mn _0.63 ]O ₂ Cathode for Sodium-Ion Batteries Hasa, Ivana; Buchholz, Daniel; Passerini, Stefano Advanced Energy Materials, Vol. 4, Issue 15 https://doi.org/10.1002/aenm.201400083	journal	June 2014
Prediction of solid-aqueous equilibria: Scheme to combine first-principles calculations of solids with experimental aqueous states Persson, Kristin A.; Waldwick, Bryn; Lazic, Predrag Physical Review B, Vol. 85, Issue 23 https://doi.org/10.1103/PhysRevB.85.235438	journal	June 2012
ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT Ravel, B.; Newville, M. Journal of Synchrotron Radiation, Vol. 12, Issue 4 https://doi.org/10.1107/S0909049505012719	journal	June 2005
Electrochemical investigation of the P2–NaxCoO2 phase diagram Berthelot, R.; Carlier, D.; Delmas, C. Nature Materials, Vol. 10, Issue 1 https://doi.org/10.1038/nmat2920	journal	December 2010
A High Power–High Energy Na ₃ V ₂ (PO ₄ ) ₂ F ₃ Sodium Cathode: Investigation of Transport Parameters, Rational Design and Realization Zhu, Changbao; Wu, Chao; Chen, Chia-Chin Chemistry of Materials, Vol. 29, Issue 12 https://doi.org/10.1021/acs.chemmater.7b00927	journal	May 2017
A combined first principles and experimental study on Na3V2(PO4)2F3 for rechargeable Na batteries Shakoor, R. A.; Seo, Dong-Hwa; Kim, Hyungsub Journal of Materials Chemistry, Vol. 22, Issue 38 https://doi.org/10.1039/c2jm33862a	journal	January 2012
Stabilite relative des environnements octaedrique et prismatique triangulaire dans les oxydes lamellaires alcalins AxMO2 (x ⩽ 1) Claude Delmas, Mm.; Fouassier, Claude; Hagenmuller, Paul Materials Research Bulletin, Vol. 11, Issue 12 https://doi.org/10.1016/0025-5408(76)90098-2	journal	December 1976
Carbon-Coated Na ₃ V ₂ (PO ₄ ) ₃ Embedded in Porous Carbon Matrix: An Ultrafast Na-Storage Cathode with the Potential of Outperforming Li Cathodes Zhu, Changbao; Song, Kepeng; van Aken, Peter A. Nano Letters, Vol. 14, Issue 4 https://doi.org/10.1021/nl500548a	journal	March 2014
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Review—Manganese-Based P2-Type Transition Metal Oxides as Sodium-Ion Battery Cathode Materials Clément, Raphaële J.; Bruce, Peter G.; Grey, Clare P. Journal of The Electrochemical Society, Vol. 162, Issue 14 https://doi.org/10.1149/2.0201514jes	journal	January 2015
The crystal structures of NiO.3BaO, NiO.BaO, BaNiO ₃ and intermediate phases with composition near Ba ₂ Ni ₂ O ₅ ; with a note on NiO Lander, J. J. Acta Crystallographica, Vol. 4, Issue 2 https://doi.org/10.1107/S0365110X51000441	journal	March 1951
Diffusion mechanism in the sodium-ion battery material sodium cobaltate Willis, T. J.; Porter, D. G.; Voneshen, D. J. Scientific Reports, Vol. 8, Issue 1 https://doi.org/10.1038/s41598-018-21354-5	journal	February 2018
An Ultrastable Anode for Long-Life Room-Temperature Sodium-Ion Batteries Yu, Haijun; Ren, Yang; Xiao, Dongdong Angewandte Chemie International Edition, Vol. 53, Issue 34 https://doi.org/10.1002/anie.201404549	journal	June 2014
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
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
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
Recent advances in magnetic structure determination by neutron powder diffraction Rodríguez-Carvajal, Juan Physica B: Condensed Matter, Vol. 192, Issue 1-2 https://doi.org/10.1016/0921-4526(93)90108-I	journal	October 1993
P2-Na0.6[Cr0.6Ti0.4]O2 cation-disordered electrode for high-rate symmetric rechargeable sodium-ion batteries Wang, Yuesheng; Xiao, Ruijuan; Hu, Yong-Sheng Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms7954	journal	April 2015
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
Structural evolution and electrochemistry of monoclinic NaNiO2 upon the first cycling process Han, Man Huon; Gonzalo, Elena; Casas-Cabanas, Montse Journal of Power Sources, Vol. 258 https://doi.org/10.1016/j.jpowsour.2014.02.048	journal	July 2014
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Kinetics of non-equilibrium lithium incorporation in LiFePO4 Malik, Rahul; Zhou, Fei; Ceder, G. Nature Materials, Vol. 10, Issue 8 https://doi.org/10.1038/nmat3065	journal	July 2011
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
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data Momma, Koichi; Izumi, Fujio Journal of Applied Crystallography, Vol. 44, Issue 6 https://doi.org/10.1107/S0021889811038970	journal	October 2011
The electrochemical insertion properties of sodium vanadium fluorophosphate, Na3V2(PO4)2F3 Gover, R.; Bryan, A.; Burns, P. Solid State Ionics, Vol. 177, Issue 17-18 https://doi.org/10.1016/j.ssi.2006.07.028	journal	July 2006
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
Ground State Structure of Triangular Lattice Gas Model with up to 3rd Neighbor Interactions Kaburagi, Makoto; Kanamori, Junjiro Journal of the Physical Society of Japan, Vol. 44, Issue 3 https://doi.org/10.1143/JPSJ.44.718	journal	March 1978
Sur quelques nouvelles phases de formule NaxMnO2 (x ⩽ 1) Parant, Jean-Paul; Olazcuaga, Roger; Devalette, Michel Journal of Solid State Chemistry, Vol. 3, Issue 1 https://doi.org/10.1016/0022-4596(71)90001-6	journal	February 1971
In Situ X-Ray Diffraction Study of P2-Na[sub 2/3][Ni[sub 1/3]Mn[sub 2/3]]O[sub 2] Lu, Zhonghua; Dahn, J. R. Journal of The Electrochemical Society, Vol. 148, Issue 11 https://doi.org/10.1149/1.1407247	journal	January 2001
First-principles calculations of lithium ordering and phase stability on Li x NiO 2 Arroyo y. de Dompablo, M. E.; Van der Ven, A.; Ceder, G. Physical Review B, Vol. 66, Issue 6 https://doi.org/10.1103/PhysRevB.66.064112	journal	August 2002
Na _0.67 Mn _1−x Mg _x O ₂ (0 ≤ x ≤ 0.2): a high capacity cathode for sodium-ion batteries Billaud, Juliette; Singh, Gurpreet; Armstrong, A. Robert Energy Environ. Sci., Vol. 7, Issue 4 https://doi.org/10.1039/C4EE00465E	journal	January 2014
Synthesis and Stoichiometry of Different Layered Sodium Cobalt Oxides Lei, Yuechuan; Li, Xin; Liu, Lei Chemistry of Materials, Vol. 26, Issue 18 https://doi.org/10.1021/cm5021788	journal	September 2014
A comparison of destabilization mechanisms of the layered NaxMO2 and LixMO2 compounds upon alkali de-intercalation Kim, Sangtae; Ma, Xiaohua; Ong, Shyue Ping Physical Chemistry Chemical Physics, Vol. 14, Issue 44 https://doi.org/10.1039/c2cp43377j	journal	January 2012
Energetics of MnO 2 polymorphs in density functional theory Kitchaev, Daniil A.; Peng, Haowei; Liu, Yun Physical Review B, Vol. 93, Issue 4 https://doi.org/10.1103/PhysRevB.93.045132	journal	January 2016
Crystal structure, local sodium environments and ion dynamics in Na0.8Ni0.6Sb0.4O2, a new mixed antimonate Smirnova, O.; Rocha, J.; Nalbandyan, V. Solid State Ionics, Vol. 178, Issue 23-24 https://doi.org/10.1016/j.ssi.2007.08.002	journal	August 2007
An advanced cathode for Na-ion batteries with high rate and excellent structural stability Lee, Dae Hoe; Xu, Jing; Meng, Ying Shirley Physical Chemistry Chemical Physics, Vol. 15, Issue 9 https://doi.org/10.1039/c2cp44467d	journal	January 2013
Electrochemical properties of P2-phase Na0.74CoO2 compounds as cathode material for rechargeable sodium-ion batteries Ding, J. J.; Zhou, Y. N.; Sun, Q. Electrochimica Acta, Vol. 87 https://doi.org/10.1016/j.electacta.2012.09.058	journal	January 2013
On the P2-Na _x Co _{1– y} (Mn _2/3 Ni _1/3 ) y O ₂ Cathode Materials for Sodium-Ion Batteries: Synthesis, Electrochemical Performance, and Redox Processes Occurring during the Electrochemical Cycling Doubaji, Siham; Ma, Lu; Asfaw, Habtom Desta ACS Applied Materials & Interfaces, Vol. 10, Issue 1 https://doi.org/10.1021/acsami.7b13472	journal	December 2017
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
P2-Na _x Mn _1/2 Fe _1/2 O ₂ Phase Used as Positive Electrode in Na Batteries: Structural Changes Induced by the Electrochemical (De)intercalation Process Mortemard de Boisse, Benoit; Carlier, Dany; Guignard, Marie Inorganic Chemistry, Vol. 53, Issue 20 https://doi.org/10.1021/ic5017802	journal	September 2014
Layered P2-Na2/3Co1/2Ti1/2O2 as a high-performance cathode material for sodium-ion batteries Sabi, Noha; Doubaji, Siham; Hashimoto, Kazuki Journal of Power Sources, Vol. 342 https://doi.org/10.1016/j.jpowsour.2017.01.025	journal	February 2017
Electrochemical intercalation activity of layered NaCrO2 vs. LiCrO2 Komaba, Shinichi; Takei, Chikara; Nakayama, Tetsuri Electrochemistry Communications, Vol. 12, Issue 3 https://doi.org/10.1016/j.elecom.2009.12.033	journal	March 2010
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
Electrochemical Properties of Monoclinic NaNiO ₂ Vassilaras, Plousia; Ma, Xiaohua; Li, Xin Journal of The Electrochemical Society, Vol. 160, Issue 2 https://doi.org/10.1149/2.023302jes	journal	November 2012
High-Performance P2-Type Na _2/3 (Mn _1/2 Fe _1/4 Co _1/4 )O ₂ Cathode Material with Superior Rate Capability for Na-Ion Batteries Liu, Lei; Li, Xin; Bo, Shou-Hang Advanced Energy Materials, Vol. 5, Issue 22 https://doi.org/10.1002/aenm.201500944	journal	September 2015
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
Strongly Constrained and Appropriately Normed Semilocal Density Functional Sun, Jianwei; Ruzsinszky, Adrienn; Perdew, John P. Physical Review Letters, Vol. 115, Issue 3 https://doi.org/10.1103/PhysRevLett.115.036402	journal	July 2015
Studies of the layered manganese bronzes, Na2/3[Mn1−xMx]O2 with M=Co, Ni, Li, and Li2/3[Mn1−xMx]O2 prepared by ion-exchange Paulsen, J. M.; Dahn, J. R. Solid State Ionics, Vol. 126, Issue 1-2 https://doi.org/10.1016/S0167-2738(99)00147-2	journal	November 1999
Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability Hautier, Geoffroy; Ong, Shyue Ping; Jain, Anubhav Physical Review B, Vol. 85, Issue 15 https://doi.org/10.1103/PhysRevB.85.155208	journal	April 2012
Structure of the high voltage phase of layered P2-Na _2/3−z [Mn _1/2 Fe _1/2 ]O ₂ and the positive effect of Ni substitution on its stability Talaie, Elahe; Duffort, Victor; Smith, Hillary L. Energy & Environmental Science, Vol. 8, Issue 8 https://doi.org/10.1039/C5EE01365H	journal	January 2015
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
Review—Practical Issues and Future Perspective for Na-Ion Batteries Kubota, Kei; Komaba, Shinichi Journal of The Electrochemical Society, Vol. 162, Issue 14 https://doi.org/10.1149/2.0151514jes	journal	January 2015
A comprehensive review of sodium layered oxides: powerful cathodes for Na-ion batteries Han, Man Huon; Gonzalo, Elena; Singh, Gurpreet Energy & Environmental Science, Vol. 8, Issue 1 https://doi.org/10.1039/C4EE03192J	journal	January 2015
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
On the NaxNi0.6Co0.4O2System: Physical and Electrochemical Studies Saadoune, I.; Maazaz, A.; Ménétrier, M. Journal of Solid State Chemistry, Vol. 122, Issue 1 https://doi.org/10.1006/jssc.1996.0090	journal	February 1996
Coupling between electronic and structural degrees of freedom in the triangular lattice conductor Na x Co O 2 Huang, Q.; Foo, M. L.; Pascal, R. A. Physical Review B, Vol. 70, Issue 18 https://doi.org/10.1103/PhysRevB.70.184110	journal	November 2004
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
Insights into Diffusion Mechanisms in P2 Layered Oxide Materials by First-Principles Calculations Mo, Yifei; Ong, Shyue Ping; Ceder, Gerbrand Chemistry of Materials, Vol. 26, Issue 18 https://doi.org/10.1021/cm501563f	journal	September 2014
P2-NaxVO2 system as electrodes for batteries and electron-correlated materials Guignard, Marie; Didier, Christophe; Darriet, Jacques Nature Materials, Vol. 12, Issue 1 https://doi.org/10.1038/nmat3478	journal	November 2012
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
Rate Dependent Performance Related to Crystal Structure Evolution of Na _0.67 Mn _0.8 Mg _0.2 O ₂ in a Sodium-Ion Battery Sharma, Neeraj; Tapia-Ruiz, Nuria; Singh, Gurpreet Chemistry of Materials, Vol. 27, Issue 20 https://doi.org/10.1021/acs.chemmater.5b02142	journal	October 2015
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
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
The P2-Na2/3Co2/3Mn1/3O2 phase: structure, physical properties and electrochemical behavior as positive electrode in sodium battery Carlier, D.; Cheng, J. H.; Berthelot, R. Dalton Transactions, Vol. 40, Issue 36 https://doi.org/10.1039/c1dt10798d	journal	January 2011
Effects of Transition-Metal Mixing on Na Ordering and Kinetics in Layered P 2 Oxides Zheng, Chen; Radhakrishnan, Balachandran; Chu, Iek-Heng Physical Review Applied, Vol. 7, Issue 6 https://doi.org/10.1103/PhysRevApplied.7.064003	journal	June 2017
Polyanion-Type Electrode Materials for Sodium-Ion Batteries Ni, Qiao; Bai, Ying; Wu, Feng Advanced Science, Vol. 4, Issue 3 https://doi.org/10.1002/advs.201600275	journal	January 2017
Studies on solid solutions based on layered honeycomb-ordered phases P2-Na2M2TeO6 (M=Co, Ni, Zn) Berthelot, Romain; Schmidt, Whitney; Sleight, A. W. Journal of Solid State Chemistry, Vol. 196 https://doi.org/10.1016/j.jssc.2012.06.022	journal	December 2012
Investigation of P2-Na _2/3 Mn _1/3 Fe _1/3 Co _1/3 O ₂ for Na-Ion Battery Positive Electrodes Thorne, J. S.; Dunlap, R. A.; Obrovac, M. N. Journal of The Electrochemical Society, Vol. 161, Issue 14 https://doi.org/10.1149/2.0981414jes	journal	January 2014
Carbon coated Na3V2(PO4)3 as novel electrode material for sodium ion batteries Jian, Zelang; Zhao, Liang; Pan, Huilin Electrochemistry Communications, Vol. 14, Issue 1 https://doi.org/10.1016/j.elecom.2011.11.009	journal	January 2012
Electrochemical properties and structural evolution of O3-type layered sodium mixed transition metal oxides with trivalent nickel Vassilaras, Plousia; Kwon, Deok-Hwang; Dacek, Stephen T. Journal of Materials Chemistry A, Vol. 5, Issue 9 https://doi.org/10.1039/C6TA09220A	journal	January 2017
Structurally stable Mg-doped P2-Na _2/3 Mn _1−y Mg _y O ₂ sodium-ion battery cathodes with high rate performance: insights from electrochemical, NMR and diffraction studies Clément, Raphaële J.; Billaud, Juliette; Robert Armstrong, A. Energy & Environmental Science, Vol. 9, Issue 10 https://doi.org/10.1039/C6EE01750A	journal	January 2016
Inhomogeneous Electron Gas Hohenberg, P.; Kohn, W. Physical Review, Vol. 136, Issue 3B, p. B864-B871 https://doi.org/10.1103/PhysRev.136.B864	journal	November 1964
Li−Fe−P−O ₂ Phase Diagram from First Principles Calculations Ong, Shyue Ping; Wang, Lei; Kang, Byoungwoo Chemistry of Materials, Vol. 20, Issue 5 https://doi.org/10.1021/cm702327g	journal	February 2008
Recent research progress on iron- and manganese-based positive electrode materials for rechargeable sodium batteries Yabuuchi, Naoaki; Komaba, Shinichi Science and Technology of Advanced Materials, Vol. 15, Issue 4 https://doi.org/10.1088/1468-6996/15/4/043501	journal	August 2014
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
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
Crystal structure and elementary properties of Na x Co O 2 ( x = 0.32 , 0.51, 0.6, 0.75, and 0.92) in the three-layer Na Co O 2 family Viciu, L.; Bos, J. W. G.; Zandbergen, H. W. Physical Review B, Vol. 73, Issue 17 https://doi.org/10.1103/PhysRevB.73.174104	journal	May 2006
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
Origins of Bistability and Na Ion Mobility Difference in P2- and O3-Na _2/3 Fe _2/3 Mn _1/3 O ₂ Cathode Polymorphs Katcho, Nebil A.; Carrasco, Javier; Saurel, Damien Advanced Energy Materials, Vol. 7, Issue 1 https://doi.org/10.1002/aenm.201601477	journal	September 2016
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
Toward high energy density cathode materials for sodium-ion batteries: investigating the beneficial effect of aluminum doping on the P2-type structure Hasa, Ivana; Passerini, Stefano; Hassoun, Jusef Journal of Materials Chemistry A, Vol. 5, Issue 9 https://doi.org/10.1039/C6TA08667E	journal	January 2017
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
Sodium-Ion Batteries Rojo, Teofilo; Hu, Yong-Sheng; Forsyth, Maria Advanced Energy Materials, Vol. 8, Issue 17 https://doi.org/10.1002/aenm.201800880	journal	June 2018
A profile refinement method for nuclear and magnetic structures Rietveld, H. M. Journal of Applied Crystallography, Vol. 2, Issue 2, p. 65-71 https://doi.org/10.1107/S0021889869006558	journal	June 1969
Synthesis, Structure, and Electrochemical Properties of the Layered Sodium Insertion Cathode Material: NaNi _{¹ / ₃} Mn _{¹ / ₃} Co _{¹ / ₃} O ₂ Sathiya, M.; Hemalatha, K.; Ramesha, K. Chemistry of Materials, Vol. 24, Issue 10 https://doi.org/10.1021/cm300466b	journal	April 2012
Is lithium the new gold? Tarascon, Jean-Marie Nature Chemistry, Vol. 2, Issue 6 https://doi.org/10.1038/nchem.680	journal	June 2010
Additional Sodium Insertion into Polyanionic Cathodes for Higher-Energy Na-Ion Batteries Bianchini, Matteo; Xiao, Penghao; Wang, Yan Advanced Energy Materials, Vol. 7, Issue 18 https://doi.org/10.1002/aenm.201700514	journal	May 2017
Sur de nouveaux bronzes oxygénés de formule NaχCoO2 (χ1). Le système cobalt-oxygène-sodium Fouassier, Claude; Matejka, Guy; Reau, Jean-Maurice Journal of Solid State Chemistry, Vol. 6, Issue 4 https://doi.org/10.1016/S0022-4596(73)80011-8	journal	April 1973
Structural classification and properties of the layered oxides Delmas, C.; Fouassier, C.; Hagenmuller, P. Physica B+C, Vol. 99, Issue 1-4 https://doi.org/10.1016/0378-4363(80)90214-4	journal	January 1980
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis Ong, Shyue Ping; Richards, William Davidson; Jain, Anubhav Computational Materials Science, Vol. 68 https://doi.org/10.1016/j.commatsci.2012.10.028	journal	February 2013
Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals Radin, Maxwell D.; Van der Ven, Anton Chemistry of Materials, Vol. 28, Issue 21 https://doi.org/10.1021/acs.chemmater.6b03454	journal	October 2016

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