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Items: 1 to 50 of 109

1.

Constructing first-principles phase diagrams of amorphous LixSi using machine-learning-assisted sampling with an evolutionary algorithm.

Artrith N, Urban A, Ceder G.

J Chem Phys. 2018 Jun 28;148(24):241711. doi: 10.1063/1.5017661.

PMID:
29960321
2.

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.

3.

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.

PMID:
29784802
4.

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.

PMID:
29733635
5.

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.

6.

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.

PMID:
29494134
7.

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.

8.

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.

9.

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.

PMID:
29219459
10.

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.

11.

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.

12.

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.

13.

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.

PMID:
28782851
14.

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.

PMID:
28664208
15.

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.

PMID:
28595010
16.

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.

PMID:
28439589
17.

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.

18.

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.

PMID:
28140575
19.

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.

20.

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.

21.

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.

22.

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.

PMID:
27642769
23.

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.

PMID:
27544092
24.

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.

PMID:
27325096
25.

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 26;533(7604):451. Nature. 2016 May 12;533(7602):159. Nature. 2016 Jun 16;534(7607):322.

PMID:
27147015
26.

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.

27.

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.

28.

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.

PMID:
26982964
29.

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.

PMID:
26280225
30.

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.

PMID:
26225908
31.

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.

PMID:
26199196
32.

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.

33.

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.

34.

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.

PMID:
25636088
35.

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.

PMID:
25612210
36.

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.

PMID:
25517087
37.

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.

PMID:
25033369
38.

Direct visualization of the Jahn-Teller effect coupled to Na ordering in Na5/8MnO2.

Li X, Ma X, Su D, Liu L, Chisnell R, Ong SP, Chen H, Toumar A, Idrobo JC, Lei Y, Bai J, Wang F, Lynn JW, Lee YS, Ceder G.

Nat Mater. 2014 Jun;13(6):586-92. doi: 10.1038/nmat3964. Epub 2014 May 18.

PMID:
24836735
39.

Nanoscale stabilization of sodium oxides: implications for Na-O2 batteries.

Kang S, Mo Y, Ong SP, Ceder G.

Nano Lett. 2014 Feb 12;14(2):1016-20. doi: 10.1021/nl404557w. Epub 2014 Jan 14.

PMID:
24417743
40.

Unlocking the potential of cation-disordered oxides for rechargeable lithium batteries.

Lee J, Urban A, Li X, Su D, Hautier G, Ceder G.

Science. 2014 Jan 31;343(6170):519-22. doi: 10.1126/science.1246432. Epub 2014 Jan 9.

PMID:
24407480
41.

World changing ideas. 10 ways science may jazz up our gadgets, help to solve our most intractable problems and save lives.

Ceder G, Persson K, Levitan D, Fessenden M, Greenemeier L, Billings L, Courage KH, Choi CQ, Yuhas D, Maron DF.

Sci Am. 2013 Dec;309(6):34-49. No abstract available. Erratum in: Sci Am. 2014 Apr;310(4):10.

PMID:
24383363
42.

Low intensity conduction states in FeS2: implications for absorption, open-circuit voltage and surface recombination.

Lazić P, Armiento R, Herbert FW, Chakraborty R, Sun R, Chan MK, Hartman K, Buonassisi T, Yildiz B, Ceder G.

J Phys Condens Matter. 2013 Nov 20;25(46):465801. doi: 10.1088/0953-8984/25/46/465801. Epub 2013 Oct 21.

43.

Identification and design principles of low hole effective mass p-type transparent conducting oxides.

Hautier G, Miglio A, Ceder G, Rignanese GM, Gonze X.

Nat Commun. 2013;4:2292. doi: 10.1038/ncomms3292.

44.

Prevalence of alcohol, illicit drugs and psychoactive medicines in killed drivers in four European countries.

Legrand SA, Gjerde H, Isalberti C, Van der Linden T, Lillsunde P, Dias MJ, Gustafsson S, Ceder G, Verstraete AG.

Int J Inj Contr Saf Promot. 2014;21(1):17-28. doi: 10.1080/17457300.2012.748809. Epub 2013 Jan 9.

PMID:
23297822
45.

Synthesis, computed stability, and crystal structure of a new family of inorganic compounds: carbonophosphates.

Chen H, Hautier G, Ceder G.

J Am Chem Soc. 2012 Dec 5;134(48):19619-27. doi: 10.1021/ja3040834. Epub 2012 Nov 20.

PMID:
23083488
46.

A comparison of destabilization mechanisms of the layered Na(x)MO2 and Li(x)MO2 compounds upon alkali de-intercalation.

Kim S, Ma X, Ong SP, Ceder G.

Phys Chem Chem Phys. 2012 Nov 28;14(44):15571-8. doi: 10.1039/c2cp43377j. Epub 2012 Oct 17.

PMID:
23076452
47.

Effects of d-amphetamine on simulated driving performance before and after sleep deprivation.

Hjälmdahl M, Vadeby A, Forsman A, Fors C, Ceder G, Woxler P, Kronstrand R.

Psychopharmacology (Berl). 2012 Aug;222(3):401-11. doi: 10.1007/s00213-012-2744-7. Epub 2012 May 26.

PMID:
22638811
48.

Electronic spin transition in nanosize stoichiometric lithium cobalt oxide.

Qian D, Hinuma Y, Chen H, Du LS, Carroll KJ, Ceder G, Grey CP, Meng YS.

J Am Chem Soc. 2012 Apr 11;134(14):6096-9. doi: 10.1021/ja300868e. Epub 2012 Mar 28.

PMID:
22448963
49.

Recycling ZnTe, CdTe, and other compound semiconductors by ambipolar electrolysis.

Bradwell DJ, Osswald S, Wei W, Barriga SA, Ceder G, Sadoway DR.

J Am Chem Soc. 2011 Dec 14;133(49):19971-5. doi: 10.1021/ja208577j. Epub 2011 Nov 17.

PMID:
22035469
50.

Drugs related to motor vehicle crashes in northern European countries: a study of fatally injured drivers.

Mørland J, Steentoft A, Simonsen KW, Ojanperä I, Vuori E, Magnusdottir K, Kristinsson J, Ceder G, Kronstrand R, Christophersen A.

Accid Anal Prev. 2011 Nov;43(6):1920-6. doi: 10.1016/j.aap.2011.05.002. Epub 2011 May 28.

PMID:
21819819

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