High magnesium mobility in ternary spinel chalcogenides

Canepa, Pieremanuele; Bo, Shou-Hang; Sai Gautam, Gopalakrishnan; Key, Baris; Richards, William D.; Shi, Tan; Tian, Yaosen; Wang, Yan; Li, Juchuan; Ceder, Gerbrand

doi:10.1038/s41467-017-01772-1

Title: High magnesium mobility in ternary spinel chalcogenides

Journal Article · 24 November 2017 · Nature Communications

DOI: https://doi.org/10.1038/s41467-017-01772-1 · OSTI ID:1417619

^[1]; Bo, Shou-Hang ^[2];

^[3]; Key, Baris ^[4]; Richards, William D. ^[5];

^[6]; Tian, Yaosen ^[6]; Wang, Yan ^[5];

^[7]; Ceder, Gerbrand ^[3]

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Division; Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Division; Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering; Shanghai Jiao Tong Univ. (China). Shanghai Jiao Tong Univ. Joint Inst.
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Division; Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering; Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering
Argonne National Lab. (ANL), Argonne, IL (United States). Chemical Sciences and Engineering Division
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Materials Science and Engineering
Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Science Division

Magnesium batteries appear a viable alternative to overcome the safety and energy density limitations faced by current lithium-ion technology. Furthermore, the development of a competitive magnesium battery is plagued by the existing notion of poor magnesium mobility in solids. We demonstrate by using ab initio calculations, nuclear magnetic resonance, and impedance spectroscopy measurements that substantial magnesium ion mobility can indeed be achieved in close-packed frameworks (~ 0.01-0.1 mS cm ^-1 at 298 K), specifically in the magnesium scandium selenide spinel. Our theoretical predictions also indicate that high magnesium ion mobility is possible in other chalcogenide spinels, opening the door for the realization of other magnesium solid ionic conductors and the eventual development of an all-solid-state magnesium battery.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science - Office of Basic Energy Sciences - Joint Center for Energy Storage Research (JCESR)

Grant/Contract Number:: AC02-05CH11231; AC02-06CH11357; 3F-31144

OSTI ID:: 1417619

Alternate ID(s):: OSTI ID: 1427174

Journal Information:: Nature Communications, Vol. 8, Issue 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

References (68)

Long-range Li+ dynamics in the lithium argyrodite Li7PSe6 as probed by rotating-frame spin–lattice relaxation NMR Epp, V.; Gün, Ö.; Deiseroth, H. -J. Physical Chemistry Chemical Physics, Vol. 15, Issue 19 https://doi.org/10.1039/c3cp44379e	journal	January 2013
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
A sulphide lithium super ion conductor is superior to liquid ion conductors for use in rechargeable batteries Seino, Yoshikatsu; Ota, Tsuyoshi; Takada, Kazunori Energy Environ. Sci., Vol. 7, Issue 2 https://doi.org/10.1039/C3EE41655K	journal	January 2014
A novel inorganic solid state ion conductor for rechargeable Mg batteries Higashi, Shougo; Miwa, Kazutoshi; Aoki, Masakazu Chem. Commun., Vol. 50, Issue 11 https://doi.org/10.1039/C3CC47097K	journal	January 2014
Hybrid functionals based on a screened Coulomb potential Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias The Journal of Chemical Physics, Vol. 118, Issue 18 https://doi.org/10.1063/1.1564060	journal	May 2003
Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges Canepa, Pieremanuele; Sai Gautam, Gopalakrishnan; Hannah, Daniel C. Chemical Reviews, Vol. 117, Issue 5 https://doi.org/10.1021/acs.chemrev.6b00614	journal	February 2017
A high capacity thiospinel cathode for Mg batteries Sun, Xiaoqi; Bonnick, Patrick; Duffort, Victor Energy & Environmental Science, Vol. 9, Issue 7 https://doi.org/10.1039/C6EE00724D	journal	January 2016
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
Spinel compounds as multivalent battery cathodes: a systematic evaluation based on ab initio calculations Liu, Miao; Rong, Ziqin; Malik, Rahul Energy & Environmental Science, Vol. 8, Issue 3 https://doi.org/10.1039/C4EE03389B	journal	January 2015
On the Way to Rechargeable Mg Batteries: The Challenge of New Cathode Materials ^† Levi, E.; Gofer, Y.; Aurbach, D. Chemistry of Materials, Vol. 22, Issue 3 https://doi.org/10.1021/cm9016497	journal	February 2010
Ion transport in Ca2+, Sr2+, Ba2+, and Pb2+ beta″ aluminas Seevers, R.; deNuzzio, J.; Farrington, G. C. Journal of Solid State Chemistry, Vol. 50, Issue 2 https://doi.org/10.1016/0022-4596(83)90182-2	journal	November 1983
Trivalent Aluminum Ionic Conduction in the Aluminum Tungstate−Scandium Tungstate−Lutetium Tungstate Solid Solution System Tamura, S.; Egawa, T.; Okazaki, Y. Chemistry of Materials, Vol. 10, Issue 7 https://doi.org/10.1021/cm980115q	journal	July 1998
Influence of Inversion on Mg Mobility and Electrochemistry in Spinels Sai Gautam, Gopalakrishnan; Canepa, Pieremanuele; Urban, Alexander Chemistry of Materials, Vol. 29, Issue 18 https://doi.org/10.1021/acs.chemmater.7b02820	journal	September 2017
Magnesium ion dynamics in Mg(BH ₄ ) _2(1−x) X _2x (X = Cl or AlH ₄ ) from first-principles molecular dynamics simulations Ikeshoji, Tamio; Tsuchida, Eiji; Takagi, Shigeyuki RSC Adv., Vol. 4, Issue 3 https://doi.org/10.1039/C3RA42453G	journal	January 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
Treatment of the Impedance of Mixed Conductors Equivalent Circuit Model and Explicit Approximate Solutions Jamnik, J. Journal of The Electrochemical Society, Vol. 146, Issue 11 https://doi.org/10.1149/1.1392611	journal	January 1999
A lithium superionic conductor Kamaya, Noriaki; Homma, Kenji; Yamakawa, Yuichiro Nature Materials, Vol. 10, Issue 9, p. 682-686 https://doi.org/10.1038/nmat3066	journal	July 2011
Direct Observation of Reversible Magnesium Ion Intercalation into a Spinel Oxide Host Kim, Chunjoong; Phillips, Patrick J.; Key, Baris Advanced Materials, Vol. 27, Issue 22 https://doi.org/10.1002/adma.201500083	journal	April 2015
Rare-Earth Transition-Metal Chalcogenides Mitchell, Kwasi; Ibers, James A. Chemical Reviews, Vol. 102, Issue 6 https://doi.org/10.1021/cr010319h	journal	June 2002
NMR relaxometry as a versatile tool to study Li ion dynamics in potential battery materials Kuhn, A.; Kunze, M.; Sreeraj, P. Solid State Nuclear Magnetic Resonance, Vol. 42 https://doi.org/10.1016/j.ssnmr.2012.02.001	journal	April 2012
What factors determine cation coordination numbers? Brown, I. D. Acta Crystallographica Section B Structural Science, Vol. 44, Issue 6 https://doi.org/10.1107/S0108768188007712	journal	December 1988
Evaluation of sulfur spinel compounds for multivalent battery cathode applications Liu, Miao; Jain, Anubhav; Rong, Ziqin Energy & Environmental Science, Vol. 9, Issue 10 https://doi.org/10.1039/C6EE01731B	journal	January 2016
Prototype systems for rechargeable magnesium batteries Aurbach, D.; Lu, Z.; Schechter, A. Nature, Vol. 407, Issue 6805, p. 724-727 https://doi.org/10.1038/35037553	journal	October 2000
Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)] Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias The Journal of Chemical Physics, Vol. 124, Issue 21 https://doi.org/10.1063/1.2204597	journal	June 2006
Fast-ion conduction and the structure of beta -Mg ₃ Bi ₂ Barnes, A. C.; Guo, C.; Howells, W. S. Journal of Physics: Condensed Matter, Vol. 6, Issue 32 https://doi.org/10.1088/0953-8984/6/32/002	journal	August 1994
Preparation and Properties of II-Ln[sub 2]-S[sub 4] Ternary Sulfides Yim, W. M.; Fan, A. K.; Stofko, E. J. Journal of The Electrochemical Society, Vol. 120, Issue 3 https://doi.org/10.1149/1.2403474	journal	January 1973
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
Cathode materials for magnesium and magnesium-ion based batteries Huie, Matthew M.; Bock, David C.; Takeuchi, Esther S. Coordination Chemistry Reviews, Vol. 287 https://doi.org/10.1016/j.ccr.2014.11.005	journal	March 2015
Mg rechargeable batteries: an on-going challenge Yoo, Hyun Deog; Shterenberg, Ivgeni; Gofer, Yosef Energy & Environmental Science, Vol. 6, Issue 8, p. 2265-2279 https://doi.org/10.1039/c3ee40871j	journal	January 2013
Extremely slow Li ion dynamics in monoclinic Li2TiO3—probing macroscopic jump diffusion via7Li NMR stimulated echoes Ruprecht, Benjamin; Wilkening, Martin; Uecker, Reinhard Physical Chemistry Chemical Physics, Vol. 14, Issue 34 https://doi.org/10.1039/c2cp41662j	journal	January 2012
Impedance Spectroscopy as a Tool for Chemical and Electrochemical Analysis of Mixed Conductors: A Case Study of Ceria Lai, Wei; Haile, Sossina M. Journal of the American Ceramic Society, Vol. 88, Issue 11 https://doi.org/10.1111/j.1551-2916.2005.00740.x	journal	November 2005
Li Ion Dynamics in a LiAlO ₂ Single Crystal Studied by ⁷ Li NMR Spectroscopy and Conductivity Measurements Indris, Sylvio; Heitjans, Paul; Uecker, Reinhard The Journal of Physical Chemistry C, Vol. 116, Issue 27 https://doi.org/10.1021/jp3042928	journal	June 2012
Self-Consistent Equations Including Exchange and Correlation Effects Kohn, W.; Sham, L. J. Physical Review, Vol. 140, Issue 4A, p. A1133-A1138 https://doi.org/10.1103/PhysRev.140.A1133	journal	November 1965
Formation of MgO during Chemical Magnesiation of Mg-Ion Battery Materials Wang, H.; Senguttuvan, P.; Proffit, D. L. ECS Electrochemistry Letters, Vol. 4, Issue 8 https://doi.org/10.1149/2.0051508eel	journal	January 2015
Tracer diffusion measurements in solid lithium: a test case for the comparison between NMR in static and pulsed magnetic field gradients after upgrading a standard solid state NMR spectrometer Marion Fischer, D.; Duwe, Peter; Indris, Sylvio Solid State Nuclear Magnetic Resonance, Vol. 26, Issue 2 https://doi.org/10.1016/j.ssnmr.2004.02.002	journal	September 2004
Materials Design Rules for Multivalent Ion Mobility in Intercalation Structures Rong, Ziqin; Malik, Rahul; Canepa, Pieremanuele Chemistry of Materials, Vol. 27, Issue 17 https://doi.org/10.1021/acs.chemmater.5b02342	journal	August 2015
Design principles for solid-state lithium superionic conductors Wang, Yan; Richards, William Davidson; Ong, Shyue Ping Nature Materials, Vol. 14, Issue 10 https://doi.org/10.1038/nmat4369	journal	August 2015
Compatibility issues between electrodes and electrolytes in solid-state batteries Tian, Yaosen; Shi, Tan; Richards, William D. Energy & Environmental Science, Vol. 10, Issue 5 https://doi.org/10.1039/C7EE00534B	journal	January 2017
Interlayer-Expanded Molybdenum Disulfide Nanocomposites for Electrochemical Magnesium Storage Liang, Yanliang; Yoo, Hyun Deog; Li, Yifei Nano Letters, Vol. 15, Issue 3 https://doi.org/10.1021/acs.nanolett.5b00388	journal	February 2015
Li _0.6 [Li _0.2 Sn _0.8 S ₂ ] – a layered lithium superionic conductor Holzmann, T.; Schoop, L. M.; Ali, M. N. Energy & Environmental Science, Vol. 9, Issue 8 https://doi.org/10.1039/C6EE00633G	journal	January 2016
Solid electrolytes with multivalent cation conduction. 1. Conducting species in MgZrPO4 system Ikeda, S.; Takahashi, M.; Ishikawa, J. Solid State Ionics, Vol. 23, Issue 1-2 https://doi.org/10.1016/0167-2738(87)90091-9	journal	March 1987
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
A High Power Rechargeable Nonaqueous Multivalent Zn/V ₂ O ₅ Battery Senguttuvan, Premkumar; Han, Sang-Don; Kim, Soojeong Advanced Energy Materials, Vol. 6, Issue 24 https://doi.org/10.1002/aenm.201600826	journal	August 2016
Optimization methods for finding minimum energy paths Sheppard, Daniel; Terrell, Rye; Henkelman, Graeme The Journal of Chemical Physics, Vol. 128, Issue 13 https://doi.org/10.1063/1.2841941	journal	April 2008
Magnesium-ion battery-relevant electrochemistry of MgMn ₂ O ₄ : crystallite size effects and the notable role of electrolyte water content Yin, Jiefu; Brady, Alexander B.; Takeuchi, Esther S. Chemical Communications, Vol. 53, Issue 26 https://doi.org/10.1039/C7CC00265C	journal	January 2017
Li self-diffusion in garnet-type Li 7 La 3 Zr 2 O 12 as probed directly by diffusion-induced Li 7 spin-lattice relaxation NMR spectroscopy Kuhn, A.; Narayanan, S.; Spencer, L. Physical Review B, Vol. 83, Issue 9 https://doi.org/10.1103/PhysRevB.83.094302	journal	March 2011
Correlated fluorine diffusion and ionic conduction in the nanocrystalline F ⁻ solid electrolyte Ba _0.6 La _0.4 F _2.4 — ¹⁹ F T _1(ρ) NMR relaxation vs. conductivity measurements Preishuber-Pflügl, F.; Bottke, P.; Pregartner, V. Phys. Chem. Chem. Phys., Vol. 16, Issue 20 https://doi.org/10.1039/C4CP00422A	journal	January 2014
Divalent magnesium ion conducting characteristics in phosphate based solid electrolyte composites Imanaka, Nobuhito; Okazaki, Yusuke; Adachi, Gin-ya Journal of Materials Chemistry, Vol. 10, Issue 6 https://doi.org/10.1039/a909599c	journal	January 2000
A high-capacity and long-life aqueous rechargeable zinc battery using a metal oxide intercalation cathode Kundu, Dipan; Adams, Brian D.; Duffort, Victor Nature Energy, Vol. 1, Issue 10 https://doi.org/10.1038/nenergy.2016.119	journal	August 2016
Rietveld structure refinement of two high-pressure spinels: ZnIn2S4-II and MnIn2Se4-II Berand, Nadia; Range, Klaus-Jürgen Journal of Alloys and Compounds, Vol. 241, Issue 1-2 https://doi.org/10.1016/0925-8388(96)02251-7	journal	August 1996
Quest for Nonaqueous Multivalent Secondary Batteries: Magnesium and Beyond Muldoon, John; Bucur, Claudiu B.; Gregory, Thomas Chemical Reviews, Vol. 114, Issue 23 https://doi.org/10.1021/cr500049y	journal	October 2014
Optimization of divalent magnesium ion conduction in phosphate based polycrystalline solid electrolytes Imanaka, N.; Okazaki, Y.; Adachi, G. Ionics, Vol. 7, Issue 4-6 https://doi.org/10.1007/BF02373581	journal	July 2001
Interface Stability in Solid-State Batteries Richards, William D.; Miara, Lincoln J.; Wang, Yan Chemistry of Materials, Vol. 28, Issue 1 https://doi.org/10.1021/acs.chemmater.5b04082	journal	December 2015
Na ₃ PSe ₄ : A Novel Chalcogenide Solid Electrolyte with High Ionic Conductivity Zhang, Long; Yang, Kun; Mi, Jianli Advanced Energy Materials, Vol. 5, Issue 24 https://doi.org/10.1002/aenm.201501294	journal	October 2015
Trivalent Al ³⁺ Ion Conduction in Aluminum Tungstate Solid Kobayashi, Yasuyuki; Egawa, Takashi; Tamura, Shinji Chemistry of Materials, Vol. 9, Issue 7 https://doi.org/10.1021/cm970004b	journal	July 1997
The Intercalation Phase Diagram of Mg in V ₂ O ₅ from First-Principles Sai Gautam, Gopalakrishnan; Canepa, Pieremanuele; Abdellahi, Aziz Chemistry of Materials, Vol. 27, Issue 10 https://doi.org/10.1021/acs.chemmater.5b00957	journal	May 2015
Diffusion and ionic conduction in nanocrystalline ceramics Heitjans, Paul; Indris, Sylvio Journal of Physics: Condensed Matter, Vol. 15, Issue 30 https://doi.org/10.1088/0953-8984/15/30/202	journal	July 2003
Inorganic Solid-State Electrolytes for Lithium Batteries: Mechanisms and Properties Governing Ion Conduction Bachman, John Christopher; Muy, Sokseiha; Grimaud, Alexis Chemical Reviews, Vol. 116, Issue 1 https://doi.org/10.1021/acs.chemrev.5b00563	journal	December 2015
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets Chen, Ruyi; Cui, Qirui; Liao, Liyang Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-23414-3	journal	May 2021
Magnesium-Ion Battery-Relevant Electrochemistry of MgMn₂O₄: Crystallite Size Effects and the Notable Role of Electrolyte Water Content Yin, Jiefu; Brady, Alexander B.; Takeuchi, Esther S. ECS Meeting Abstracts, Vol. MA2017-02, Issue 3, p. 198 https://doi.org/10.1149/ma2017-02/3/198	journal	September 2017
Diffusion and Ionic Conduction in Nanocrystalline Ceramics Heitjans, Paul; Indris, Sylvio MRS Proceedings, Vol. 676 https://doi.org/10.1557/proc-676-y6.6	journal	January 2001
The intercalation phase diagram of Mg in V$_2$O$_5$ from first principles Gautam, Gopalakrishnan Sai; Canepa, Pieremanuele; Abdellahi, Aziz arXiv https://doi.org/10.48550/arxiv.1505.07731	text	January 2015
Influence of inversion on Mg mobility and electrochemistry in spinels Gautam, Gopalakrishnan Sai; Canepa, Pieremanuele; Urban, Alexander arXiv https://doi.org/10.48550/arxiv.1708.07458	text	January 2017
Bonding and dynamical phenomena in MgO: A high temperature 17O and 25Mg NMR study Fiske, Peter S.; Stebbins, Jonathan F.; Farnan, Ian Physics and Chemistry of Minerals, Vol. 20, Issue 8 https://doi.org/10.1007/bf00211854	journal	May 1994
A lithium superionic conductor Kamaya, Noriaki; Homma, Kenji; Yamakawa, Yuichiro Nature Materials, Vol. 10, Issue 9, p. 682-686 https://doi.org/10.1038/nmat3066	journal	July 2011
Optimization methods for finding minimum energy paths Sheppard, Daniel; Terrell, Rye; Henkelman, Graeme The Journal of Chemical Physics, Vol. 128, Issue 13 https://doi.org/10.1063/1.2841941	journal	April 2008
Treatment of the Impedance of Mixed Conductors Equivalent Circuit Model and Explicit Approximate Solutions Jamnik, J. Journal of The Electrochemical Society, Vol. 146, Issue 11 https://doi.org/10.1149/1.1392611	journal	January 1999
Extremely slow Li ion dynamics in monoclinic Li 2TiO 3 - Probing macroscopic jump diffusion via 7Li NMR stimulated echoes Ruprecht, Bernhard; Wilkening, Martin; Uecker, Reinhard Cambridge : Royal Society of Chemistry https://doi.org/10.15488/2163	text	January 2012

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