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Perspectives on Cobalt Supply through 2030 in the Face of Changing Demand.

Fu X, Beatty DN, Gaustad GG, Ceder G, Roth R, Kirchain RE, Bustamante M, Babbitt C, Olivetti EA.

Environ Sci Technol. 2020 Feb 19. doi: 10.1021/acs.est.9b04975. [Epub ahead of print]


Computational investigation of chalcogenide spinel conductors for all-solid-state Mg batteries.

Koettgen J, Bartel CJ, Ceder G.

Chem Commun (Camb). 2020 Feb 13;56(13):1952-1955. doi: 10.1039/c9cc09510a.


Author Correction: Text-mined dataset of inorganic materials synthesis recipes.

Kononova O, Huo H, He T, Rong Z, Botari T, Sun W, Tshitoyan V, Ceder G.

Sci Data. 2019 Nov 15;6(1):273. doi: 10.1038/s41597-019-0297-x.


Text-mined dataset of inorganic materials synthesis recipes.

Kononova O, Huo H, He T, Rong Z, Botari T, Sun W, Tshitoyan V, Ceder G.

Sci Data. 2019 Oct 15;6(1):203. doi: 10.1038/s41597-019-0224-1. Erratum in: Sci Data. 2019 Nov 15;6(1):273.


Named Entity Recognition and Normalization Applied to Large-Scale Information Extraction from the Materials Science Literature.

Weston L, Tshitoyan V, Dagdelen J, Kononova O, Trewartha A, Persson KA, Ceder G, Jain A.

J Chem Inf Model. 2019 Sep 23;59(9):3692-3702. doi: 10.1021/acs.jcim.9b00470. Epub 2019 Aug 19.


Unsupervised word embeddings capture latent knowledge from materials science literature.

Tshitoyan V, Dagdelen J, Weston L, Dunn A, Rong Z, Kononova O, Persson KA, Ceder G, Jain A.

Nature. 2019 Jul;571(7763):95-98. doi: 10.1038/s41586-019-1335-8. Epub 2019 Jul 3.


Ternary nitride semiconductors in the rocksalt crystal structure.

Bauers SR, Holder A, Sun W, Melamed CL, Woods-Robinson R, Mangum J, Perkins J, Tumas W, Gorman B, Tamboli A, Ceder G, Lany S, Zakutayev A.

Proc Natl Acad Sci U S A. 2019 Jul 23;116(30):14829-14834. doi: 10.1073/pnas.1904926116. Epub 2019 Jul 3.


A map of the inorganic ternary metal nitrides.

Sun W, Bartel CJ, Arca E, Bauers SR, Matthews B, Orvañanos B, Chen BR, Toney MF, Schelhas LT, Tumas W, Tate J, Zakutayev A, Lany S, Holder AM, Ceder G.

Nat Mater. 2019 Jul;18(7):732-739. doi: 10.1038/s41563-019-0396-2. Epub 2019 Jun 17.


Evaluation of Mg Compounds as Coating Materials in Mg Batteries.

Chen T, Ceder G, Sai Gautam G, Canepa P.

Front Chem. 2019 Jan 30;7:24. doi: 10.3389/fchem.2019.00024. eCollection 2019.


Hidden structural and chemical order controls lithium transport in cation-disordered oxides for rechargeable batteries.

Ji H, Urban A, Kitchaev DA, Kwon DH, Artrith N, Ophus C, Huang W, Cai Z, Shi T, Kim JC, Kim H, Ceder G.

Nat Commun. 2019 Feb 5;10(1):592. doi: 10.1038/s41467-019-08490-w.


Metal-oxygen decoordination stabilizes anion redox in Li-rich oxides.

Hong J, Gent WE, Xiao P, Lim K, Seo DH, Wu J, Csernica PM, Takacs CJ, Nordlund D, Sun CJ, Stone KH, Passarello D, Yang W, Prendergast D, Ceder G, Toney MF, Chueh WC.

Nat Mater. 2019 Mar;18(3):256-265. doi: 10.1038/s41563-018-0276-1. Epub 2019 Feb 4.


Non-equilibrium crystallization pathways of manganese oxides in aqueous solution.

Sun W, Kitchaev DA, Kramer D, Ceder G.

Nat Commun. 2019 Feb 4;10(1):573. doi: 10.1038/s41467-019-08494-6.


Resolving the Amorphous Structure of Lithium Phosphorus Oxynitride (Lipon).

Lacivita V, Westover AS, Kercher A, Phillip ND, Yang G, Veith G, Ceder G, Dudney NJ.

J Am Chem Soc. 2018 Sep 5;140(35):11029-11038. doi: 10.1021/jacs.8b05192. Epub 2018 Aug 27.


Understanding crystallization pathways leading to manganese oxide polymorph formation.

Chen BR, Sun W, Kitchaev DA, Mangum JS, Thampy V, Garten LM, Ginley DS, Gorman BP, Stone KH, Ceder G, Toney MF, Schelhas LT.

Nat Commun. 2018 Jun 29;9(1):2553. doi: 10.1038/s41467-018-04917-y.


Electrochemical trapping of metastable Mn3+ ions for activation of MnO2 oxygen evolution catalysts.

Morgan Chan Z, Kitchaev DA, Nelson Weker J, Schnedermann C, Lim K, Ceder G, Tumas W, Toney MF, Nocera DG.

Proc Natl Acad Sci U S A. 2018 Jun 5;115(23):E5261-E5268. doi: 10.1073/pnas.1722235115. Epub 2018 May 21.


Revealing and Rationalizing the Rich Polytypism of Todorokite MnO2.

Hu X, Kitchaev DA, Wu L, Zhang B, Meng Q, Poyraz AS, Marschilok AC, Takeuchi ES, Takeuchi KJ, Ceder G, Zhu Y.

J Am Chem Soc. 2018 Jun 6;140(22):6961-6968. doi: 10.1021/jacs.8b02971. Epub 2018 May 14.


Reversible Mn2+/Mn4+ double redox in lithium-excess cathode materials.

Lee J, Kitchaev DA, Kwon DH, Lee CW, Papp JK, Liu YS, Lun Z, Clément RJ, Shi T, McCloskey BD, Guo J, Balasubramanian M, Ceder G.

Nature. 2018 Apr;556(7700):185-190. doi: 10.1038/s41586-018-0015-4. Epub 2018 Apr 11.


Redox-Mediated Stabilization in Zinc Molybdenum Nitrides.

Arca E, Lany S, Perkins JD, Bartel C, Mangum J, Sun W, Holder A, Ceder G, Gorman B, Teeter G, Tumas W, Zakutayev A.

J Am Chem Soc. 2018 Mar 28;140(12):4293-4301. doi: 10.1021/jacs.7b12861. Epub 2018 Mar 14.


Localized concentration reversal of lithium during intercalation into nanoparticles.

Zhang W, Yu HC, Wu L, Liu H, Abdellahi A, Qiu B, Bai J, Orvananos B, Strobridge FC, Zhou X, Liu Z, Ceder G, Zhu Y, Thornton K, Grey CP, Wang F.

Sci Adv. 2018 Jan 12;4(1):eaao2608. doi: 10.1126/sciadv.aao2608. eCollection 2018 Jan.


Electrostatic Estimation of Intercalant Jump-Diffusion Barriers Using Finite-Size Ion Models.

Zimmermann NER, Hannah DC, Rong Z, Liu M, Ceder G, Haranczyk M, Persson KA.

J Phys Chem Lett. 2018 Feb 1;9(3):628-634. doi: 10.1021/acs.jpclett.7b03199. Epub 2018 Jan 22.


Electronic-Structure Origin of Cation Disorder in Transition-Metal Oxides.

Urban A, Abdellahi A, Dacek S, Artrith N, Ceder G.

Phys Rev Lett. 2017 Oct 27;119(17):176402. doi: 10.1103/PhysRevLett.119.176402. Epub 2017 Oct 25.


High magnesium mobility in ternary spinel chalcogenides.

Canepa P, Bo SH, Sai Gautam G, Key B, Richards WD, Shi T, Tian Y, Wang Y, Li J, Ceder G.

Nat Commun. 2017 Nov 24;8(1):1759. doi: 10.1038/s41467-017-01772-1.


High-fraction brookite films from amorphous precursors.

Haggerty JES, Schelhas LT, Kitchaev DA, Mangum JS, Garten LM, Sun W, Stone KH, Perkins JD, Toney MF, Ceder G, Ginley DS, Gorman BP, Tate J.

Sci Rep. 2017 Nov 9;7(1):15232. doi: 10.1038/s41598-017-15364-y.


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

Lee J, Papp JK, Clément RJ, Sallis S, Kwon DH, Shi T, Yang W, McCloskey BD, Ceder G.

Nat Commun. 2017 Oct 17;8(1):981. doi: 10.1038/s41467-017-01115-0.


Investigation of Potassium Storage in Layered P3-Type K0.5 MnO2 Cathode.

Kim H, Seo DH, Kim JC, Bo SH, Liu L, Shi T, Ceder G.

Adv Mater. 2017 Oct;29(37). doi: 10.1002/adma.201702480. Epub 2017 Aug 7.


Fast Mg2+ diffusion in Mo3(PO4)3O for Mg batteries.

Rong Z, Xiao P, Liu M, Huang W, Hannah DC, Scullin W, Persson KA, Ceder G.

Chem Commun (Camb). 2017 Jul 13;53(57):7998-8001. doi: 10.1039/c7cc02903a.


Electrolyte-Induced Surface Transformation and Transition-Metal Dissolution of Fully Delithiated LiNi0.8Co0.15Al0.05O2.

Faenza NV, Lebens-Higgins ZW, Mukherjee P, Sallis S, Pereira N, Badway F, Halajko A, Ceder G, Cosandey F, Piper LFJ, Amatucci GG.

Langmuir. 2017 Sep 19;33(37):9333-9353. doi: 10.1021/acs.langmuir.7b00863. Epub 2017 Jun 22.


Magnesium ion mobility in post-spinels accessible at ambient pressure.

Hannah DC, Sai Gautam G, Canepa P, Rong Z, Ceder G.

Chem Commun (Camb). 2017 May 4;53(37):5171-5174. doi: 10.1039/c7cc01092c.


Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges.

Canepa P, Sai Gautam G, Hannah DC, Malik R, Liu M, Gallagher KG, Persson KA, Ceder G.

Chem Rev. 2017 Mar 8;117(5):4287-4341. doi: 10.1021/acs.chemrev.6b00614. Epub 2017 Feb 13.


Thermodynamics of Phase Selection in MnO2 Framework Structures through Alkali Intercalation and Hydration.

Kitchaev DA, Dacek ST, Sun W, Ceder G.

J Am Chem Soc. 2017 Feb 22;139(7):2672-2681. doi: 10.1021/jacs.6b11301. Epub 2017 Feb 13.


The thermodynamic scale of inorganic crystalline metastability.

Sun W, Dacek ST, Ong SP, Hautier G, Jain A, Richards WD, Gamst AC, Persson KA, Ceder G.

Sci Adv. 2016 Nov 18;2(11):e1600225. doi: 10.1126/sciadv.1600225. eCollection 2016 Nov.


Evaluating structure selection in the hydrothermal growth of FeS2 pyrite and marcasite.

Kitchaev DA, Ceder G.

Nat Commun. 2016 Dec 14;7:13799. doi: 10.1038/ncomms13799.


A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds.

de Jong M, Chen W, Notestine R, Persson K, Ceder G, Jain A, Asta M, Gamst A.

Sci Rep. 2016 Oct 3;6:34256. doi: 10.1038/srep34256.


About the Compatibility between High Voltage Spinel Cathode Materials and Solid Oxide Electrolytes as a Function of Temperature.

Miara L, Windmüller A, Tsai CL, Richards WD, Ma Q, Uhlenbruck S, Guillon O, Ceder G.

ACS Appl Mater Interfaces. 2016 Oct 12;8(40):26842-26850. Epub 2016 Sep 29.


An efficient algorithm for finding the minimum energy path for cation migration in ionic materials.

Rong Z, Kitchaev D, Canepa P, Huang W, Ceder G.

J Chem Phys. 2016 Aug 21;145(7):074112. doi: 10.1063/1.4960790.


The structural and chemical origin of the oxygen redox activity in layered and cation-disordered Li-excess cathode materials.

Seo DH, Lee J, Urban A, Malik R, Kang S, Ceder G.

Nat Chem. 2016 Jul;8(7):692-7. doi: 10.1038/nchem.2524. Epub 2016 May 30.


Can artificial intelligence create the next wonder material?

Nosengo N, Ceder G.

Nature. 2016 May 5;533(7601):22-5. doi: 10.1038/533022a. No abstract available. Erratum in: Nature. 2016 May 12;533(7602):159. Nature. 2016 May 26;533(7604):451. Nature. 2016 Jun 16;534(7607):322.


Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures.

Caskey CM, Holder A, Shulda S, Christensen ST, Diercks D, Schwartz CP, Biagioni D, Nordlund D, Kukliansky A, Natan A, Prendergast D, Orvananos B, Sun W, Zhang X, Ceder G, Ginley DS, Tumas W, Perkins JD, Stevanovic V, Pylypenko S, Lany S, Richards RM, Zakutayev A.

J Chem Phys. 2016 Apr 14;144(14):144201. doi: 10.1063/1.4945561.


Design and synthesis of the superionic conductor Na10SnP2S12.

Richards WD, Tsujimura T, Miara LJ, Wang Y, Kim JC, Ong SP, Uechi I, Suzuki N, Ceder G.

Nat Commun. 2016 Mar 17;7:11009. doi: 10.1038/ncomms11009.


Role of Structural H2O in Intercalation Electrodes: The Case of Mg in Nanocrystalline Xerogel-V2O5.

Sai Gautam G, Canepa P, Richards WD, Malik R, Ceder G.

Nano Lett. 2016 Apr 13;16(4):2426-31. doi: 10.1021/acs.nanolett.5b05273. Epub 2016 Mar 18.


Design principles for solid-state lithium superionic conductors.

Wang Y, Richards WD, Ong SP, Miara LJ, Kim JC, Mo Y, Ceder G.

Nat Mater. 2015 Oct;14(10):1026-31. doi: 10.1038/nmat4369. Epub 2015 Aug 17.


First-principles evaluation of multi-valent cation insertion into orthorhombic V2O5.

Gautam GS, Canepa P, Malik R, Liu M, Persson K, Ceder G.

Chem Commun (Camb). 2015 Sep 14;51(71):13619-22. doi: 10.1039/c5cc04947d.


High-rate performance of a mixed olivine cathode with off-stoichiometric composition.

Kim JC, Li X, Kang B, Ceder G.

Chem Commun (Camb). 2015 Sep 4;51(68):13279-82. doi: 10.1039/c5cc04434k.


Charting the complete elastic properties of inorganic crystalline compounds.

de Jong M, Chen W, Angsten T, Jain A, Notestine R, Gamst A, Sluiter M, Krishna Ande C, van der Zwaag S, Plata JJ, Toher C, Curtarolo S, Ceder G, Persson KA, Asta M.

Sci Data. 2015 Mar 17;2:150009. doi: 10.1038/sdata.2015.9. eCollection 2015.


Nucleation of metastable aragonite CaCO3 in seawater.

Sun W, Jayaraman S, Chen W, Persson KA, Ceder G.

Proc Natl Acad Sci U S A. 2015 Mar 17;112(11):3199-204. doi: 10.1073/pnas.1423898112. Epub 2015 Mar 4. Erratum in: Proc Natl Acad Sci U S A. 2015 May 19;112(20):E2735.


Relating voltage and thermal safety in Li-ion battery cathodes: a high-throughput computational study.

Jain A, Hautier G, Ong SP, Dacek S, Ceder G.

Phys Chem Chem Phys. 2015 Feb 28;17(8):5942-53. doi: 10.1039/c5cp00250h.


Correction to Ion-exchange mechanism of layered transition-metal oxides: case study of LiNi0.5Mn0.5O2.

Gwon H, Kim SW, Park YU, Hong J, Ceder G, Jeon S, Kang K.

Inorg Chem. 2015 Feb 16;54(4):2081. doi: 10.1021/ic5031069. Epub 2015 Jan 22. No abstract available.


Designing new lithium-excess cathode materials from percolation theory: nanohighways in Li(x)Ni(2-4x/3)Sb(x/3)O2.

Twu N, Li X, Urban A, Balasubramanian M, Lee J, Liu L, Ceder G.

Nano Lett. 2015 Jan 14;15(1):596-602. doi: 10.1021/nl5040754. Epub 2014 Dec 22.


Ion-exchange mechanism of layered transition-metal oxides: case study of LiNi(0.5)Mn(0.5)O₂.

Gwon H, Kim SW, Park YU, Hong J, Ceder G, Jeon S, Kang K.

Inorg Chem. 2014 Aug 4;53(15):8083-7. doi: 10.1021/ic501069x. Epub 2014 Jul 17. Erratum in: Inorg Chem. 2015 Feb 16;54(4):2081.


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