Elastic Properties of the Solid Electrolyte Li7La3Zr2O12 (LLZO)

Chemistry of Materials

Volumn 28, Issue 1, 2016, Pages 197-206

  Yu, Seungho ^a   Schmidt, Robert D ^a   Garcia Mendez, Regina ^a   Herbert, Erik ^a   Dudney, Nancy J ^b   Wolfenstine, Jeffrey B ^c   Sakamoto, Jeff ^a   Siegel, Donald J ^a,d,e  

^a UNIVERSITY OF MICHIGAN   (United States)

^b Michigan Technological University   (United States)

^c OAK RIDGE NATIONAL LABORATORY   (United States)

^d U S ARMY RESEARCH LABORATORY   (United States)

^e TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL STABILITY; ELASTIC MODULI; ELASTICITY; ELECTRIC BATTERIES; ELECTRODES; ELECTROLYTES; LITHIUM; LITHIUM-ION BATTERIES; POTENTIOMETRIC SENSORS; SECONDARY BATTERIES; SHEAR STRAIN; ZIRCONIUM;

ELASTIC PROPERTIES; ELECTROLYTE INTERFACES; FIRST-PRINCIPLES CALCULATION; HIGH CONDUCTIVITY; INITIATION AND PROPAGATION; LI ION CONDUCTIVITIES; NANOINDENTATION EXPERIMENTS; NOMINAL COMPOSITION;

SOLID ELECTROLYTES;

EID: 84954441923     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/acs.chemmater.5b03854     Document Type: Article

References (64)

1. 2 and Li-S Batteries with High Energy Storage Nat. Mater. 2011, 11, 19-29 10.1038/nmat3191
2. Roth, E. P.; Orendorff, C. J. How Electrolytes Influence Battery Safety Electrochem. Soc. Interface 2012, 21, 45-49
3. Goodenough, J. B.; Kim, Y. Challenges for Rechargeable Li Batteries Chem. Mater. 2010, 22, 587-603 10.1021/cm901452z
4. Kamaya, N.; Homma, K.; Yamakawa, Y.; Hirayama, M.; Kanno, R.; Yonemura, M.; Kamiyama, T.; Kato, Y.; Hama, S.; Kawamoto, K.; Mitsui, A. A Lithium Superionic Conductor Nat. Mater. 2011, 10, 682-686 10.1038/nmat3066
5. Radin, M. D.; Siegel, D. J. Non-Aqueous Metal-Air Batteries: Past, Present, and Future, Chapter 18. In Rechargeable Batteries: Materials, Technologies and New Trends. Zhang, Z.; Zhang, S. S., Eds. Springer: Switzerland, 2015, 511.
6. 5+, x = 0, 0.25) J. Mater. Chem. 2012, 22, 1426-1434
7. Kanno, R.; Hata, T.; Kawamoto, Y.; Irie, M. Synthesis of a New Lithium Ionic Conductor, Thio-LISICON-Lithium Germanium Sulfide System Solid State Ionics 2000, 130, 97-104 10.1016/S0167-2738(00)00277-0
8. 5 Sulfide Solid Electrolytes in the Atmosphere Solid State Ionics 2011, 182, 116-119 10.1016/j.ssi.2010.10.013
9. 12 Angew. Chem., Int. Ed. 2007, 46, 7778-7781 10.1002/anie.200701144
10. 12 Solid Electrolyte to All-Solid-State Battery Using Li Metal Anode J. Electrochem. Soc. 2010, 157, A1076-A1079 10.1149/1.3474232
11. 12 Chem. Mater. 2011, 23, 3587-3589 10.1021/cm201671k
12. 12" Garnet: A Fast Lithium-Ion Conductor Inorg. Chem. 2011, 50, 1089-1097 10.1021/ic101914e
13. 12) for Li-ion batteries Solid State Ionics 2014, 261, 100-105 10.1016/j.ssi.2014.04.021
14. 12 with the Garnet-Related Type Structure J. Solid State Chem. 2009, 182, 2046-2052 10.1016/j.jssc.2009.05.020
15. 12 Phys. Rev. Lett. 2012, 109, 205702 10.1103/PhysRevLett.109.205702
16. 12 J. Power Sources 2012, 206, 315-319 10.1016/j.jpowsour.2012.01.131
17. 12 (LLZO) J. Mater. Chem. A 2014, 2, 13431-13436 10.1039/C4TA02099E
18. 12 Chem. Mater. 2015, 27, 3658-3665 10.1021/acs.chemmater.5b00362
19. 12 Solid State Ionics 2012, 206, 28-32 10.1016/j.ssi.2011.10.022
20. Thompson, T.; Sharafi, A.; Johannes, M. D.; Huq, A.; Allen, J. L.; Wolfenstine, J.; Sakamoto, J. A Tale of Two Sites: On Defining the Carrier Concentration in Garnet-Based Ionic Conductors for Advanced Li Batteries Adv. Energy Mater. 2015, 5, 1500096 10.1002/aenm.201500096
21. Ni, J.; Case, E.; Sakamoto, J.; Rangasamy, E.; Wolfenstine, J. Room Temperature Elastic Moduli and Vickers Hardness of Hot-Pressed LLZO Cubic Garnet J. Mater. Sci. 2012, 47, 7978-7985 10.1007/s10853-012-6687-5
22. 12: A Study from First-Principles Calculations Int. J. Electrochem. Sci. 2014, 9, 562-568
23. Monroe, C.; Newman, J. The Impact of Elastic Deformation on Deposition Kinetics at Lithium/Polymer Interfaces J. Electrochem. Soc. 2005, 152, A396-A404 10.1149/1.1850854
24. Miannay, D. P. Fracture Mechanics; Springer: New York, 1998.
25. 2: Density Functional Theory Calculations J. Chem. Phys. 2014, 140, 121102 10.1063/1.4869515
26. Blöchl, P. E. Projector Augmented-Wave Method Phys. Rev. B: Condens. Matter Mater. Phys. 1994, 50, 17953-17979 10.1103/PhysRevB.50.17953
27. Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method Phys. Rev. B: Condens. Matter Mater. Phys. 1999, 59, 1758-1775 10.1103/PhysRevB.59.1758
28. Kresse, G.; Furthmüller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B: Condens. Matter Mater. Phys. 1996, 54, 11169-11186 10.1103/PhysRevB.54.11169
29. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868 10.1103/PhysRevLett.77.3865
30. Monkhorst, H. J.; Pack, J. D. Special Points for Brillouin-Zone Integrations Phys. Rev. B 1976, 13, 5188-5192 10.1103/PhysRevB.13.5188
31. 12 J. Power Sources 2012, 209, 278-281 10.1016/j.jpowsour.2012.02.100
32. 12 Garnet Chem. Mater. 2014, 26, 2617-2623 10.1021/cm5000999
33. Mehl, M. J.; Osburn, J. E.; Papaconstantopoulos, D. A.; Klein, B. M. Structural Properties of Ordered High-Melting-Temperature Intermetallic Alloys from First-Principles Total-Energy Calculations Phys. Rev. B: Condens. Matter Mater. Phys. 1990, 41, 10311-10323 10.1103/PhysRevB.41.10311
34. Murnaghan, F. D. The Compressibility of Media under Extreme Pressures Proc. Natl. Acad. Sci. U. S. A. 1944, 30, 244-247 10.1073/pnas.30.9.244
35. Ranganathan, S. I.; Ostoja-Starzewski, M. Universal Elastic Anisotropy Index Phys. Rev. Lett. 2008, 101, 055504 10.1103/PhysRevLett.101.055504
36. Chung, D.-H.; Swica, J. J.; Crandall, W. B. Relation of Single-Crystal Elastic Constants to Polycrystalline Isotropic Elastic Moduli of MgO J. Am. Ceram. Soc. 1963, 46, 452-457 10.1111/j.1151-2916.1963.tb11775.x
37. Uesugi, T.; Takigawa, Y.; Higashi, K. Elastic constants of AlLi from first principles Mater. Trans. 2005, 46, 1117-1121 10.2320/matertrans.46.1117
38. Oliver, W. C.; Pharr, G. M. An Improved Technique for Determining Hardness and Elastic Modulus Using Load and Displacement Sensing Indentation Experiments J. Mater. Res. 1992, 7, 1564-1583 10.1557/JMR.1992.1564
39. Hay, J.; Agee, P.; Herbert, E. Continuous Stiffness Measurement during Instrumented Indentation Testing Exp. Technol. 2010, 34, 86-94 10.1111/j.1747-1567.2010.00618.x
40. Herbert, E. G.; Johanns, K. E.; Singleton, R. S.; Pharr, G. M. On the Measurement of Energy Dissipation Using Nanoindentation and the Continuous Stiffness Measurement Technique J. Mater. Res. 2013, 28, 3029-3042 10.1557/jmr.2013.305
41. Marklund, K.; Mahmoud, S. A. Elastic Constants of Magnesium Oxide Phys. Scr. 1971, 3, 75-76 10.1088/0031-8949/3/2/005
42. Wachtman, J. B.; Tefft, W. E.; Lam, D. G.; Apstein, C. S. Exponential Temperature Dependence of Young's Modulus for Several Oxides Phys. Rev. 1961, 122, 1754-1759 10.1103/PhysRev.122.1754
43. Dovesi, R.; Roetti, C.; Freyria-Fava, C.; Prencipe, M.; Saunders, V. R. On the Elastic Properties of Lithium, Sodium and Potassium Oxide. An Ab Initio Study Chem. Phys. 1991, 156, 11-19 10.1016/0301-0104(91)87032-Q
44. 12 (x = 0-2) Solid State Ionics 2012, 206, 33-38 10.1016/j.ssi.2011.10.023
45. Rice, R. W. Porosity of Ceramics; Marcel Dekker: New York, 1998.
46. Pugh, S. F. Relations between the Elastic Moduli and the Plastic Properties of Polycrystalline Pure Metals London Edinb. Dubl. Philos. Mag. 1954, 45, 823-843 10.1080/14786440808520496
47. Niu, H.; Chen, X.-Q.; Liu, P.; Xing, W.; Cheng, X.; Li, D.; Li, Y. Extra-Electron Induced Covalent Strengthening and Generalization of Intrinsic Ductile-to-Brittle Criterion Sci. Rep. 2012, 2, 718 10.1038/srep00718
48. 12 and its Comparison to Other Solid Li-Ion Conductors Mater. Lett. 2013, 96, 117-120 10.1016/j.matlet.2013.01.021
49. Chiang, Y.-M.; Birnie, D.; Kingery, W. D. Physical Ceramics; John Wiley & Sons: New York, 1997.
50. Nash, H. C.; Smith, C. S. Single-Crystal Elastic Constants of Lithium J. Phys. Chem. Solids 1959, 9, 113-118 10.1016/0022-3697(59)90201-X
51. Slotwinski, T.; Trivisonno, J. Temperature Dependence of the Elastic Constants of Single Crystal Lithium J. Phys. Chem. Solids 1969, 30, 1276-1278 10.1016/0022-3697(69)90386-2
52. Day, J. P.; Ruoff, A. L. The Variation of the Elastic Constants of Lithium with Temperature and Pressure Phys. Status Solidi A 1974, 25, 205-213 10.1002/pssa.2210250118
53. 6Li and Natural Lithium Phys. Rev. B 1977, 16, 5173-5184 10.1103/PhysRevB.16.5173
54. Robertson, W. M.; Montgomery, D. J. Elastic Modulus of Isotopically-Concentrated Lithium Phys. Rev. 1960, 117, 440-442 10.1103/PhysRev.117.440
55. Bridgman, P. W. The Effect of Tension on the Electrical Resistance of Certain Abnormal Metals Proc. Am. Acad. Arts Sci. 1922, 57, 41-66 10.2307/20025885
56. Huntington, H. B.; Seitz, F.; Turnbull, D. Solid State Physics: Advances in Research and Applications; Academic Press: New York, 1958.
57. 3 Ceramic J. Mater. Sci. 2004, 39, 3057-3061 10.1023/B:JMSC.0000025832.93840.b0
58. Fryxell, R. E.; Chandler, B. A. Creep, Strength, Expansion, and Elastic Moduli of Sintered BeO as a Function of Grain Size, Porosity, and Grain Prientation J. Am. Ceram. Soc. 1964, 47, 283-291 10.1111/j.1151-2916.1964.tb14417.x
59. Vasilos, T.; Mitchell, J. B.; Spriggs, R. M. Mechanical Properties of Pure, Dense Magnesium Oxide as a Function of Temperature and Grain Size J. Am. Ceram. Soc. 1964, 47, 606-610 10.1111/j.1151-2916.1964.tb13115.x
60. Davidge, R. W.; Evans, A. G. The Strength of Ceramics Mater. Sci. Eng. 1970, 6, 281-298 10.1016/0025-5416(70)90064-9
61. Jackman, S. D.; Cutler, R. A. Effect of Microcracking on Ionic Conductivity in LATP J. Power Sources 2012, 218, 65-72 10.1016/j.jpowsour.2012.06.081
62. 3 J. Mater. Sci. 2012, 47, 5970-5977 10.1007/s10853-012-6500-5
63. Herbert, E. G.; Tenhaeff, W. E.; Dudney, N. J.; Pharr, G. M. Mechanical Characterization of LiPON Films Using Nanoindentation Thin Solid Films 2011, 520, 413-418 10.1016/j.tsf.2011.07.068
64. Rice, R. W. Possible Effects of Elastic Anisotropy on Mechanical Properties of Ceramics J. Mater. Sci. Lett. 1994, 13, 1261-1266 10.1007/BF00270955