Reactive flow in silicon electrodes assisted by the insertion of lithium

Nano Letters

Volumn 12, Issue 8, 2012, Pages 4397-4403

  Zhao, Kejie ^a   Tritsaris, Georgios A ^a   Pharr, Matt ^a   Wang, Wei L ^a   Okeke, Onyekwelu ^a   Suo, Zhigang ^a   Vlassak, Joost J ^a   Kaxiras, Efthimios ^a  

^a HARVARD UNIVERSITY   (United States)

Author keywords

first principles; Li ion battery; reactive flow; silicon

Indexed keywords

A-SI THIN FILMS; AMORPHOUS SILICON (A-SI); ATOMIC SCALE; DEVIATORIC STRESS; EXPERIMENTAL MEASUREMENTS; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; HIGH ENERGY DENSITY MATERIALS; LARGE DEFORMATIONS; LARGE INELASTIC DEFORMATION; LI ATOMS; LI INSERTION; LI-ION BATTERIES; LITHIATION; MATERIAL PROPERTY; NON-EQUILIBRIUM PROCESS; QUANTITATIVE AGREEMENT; REACTIVE FLOW; SILICON ELECTRODE; THEORETICAL MODELS; THEORETICAL TREATMENTS;

CALCULATIONS; ELECTROCHEMICAL CELLS; ELECTRODES; ELECTRONIC PROPERTIES; LITHIUM; MECHANICAL PROPERTIES; SILICON;

CRYSTAL ATOMIC STRUCTURE;

EID: 84864692577     PISSN: 15306984     EISSN: 15306992     Source Type: Journal    
DOI: 10.1021/nl302261w     Document Type: Article

References (52)

1. Zhang, W. J. J. Power Sources 2011, 196 (1) 13-24
2. Beaulieu, L. Y.; Eberman, K. W.; Turner, R. L.; Krause, L. J.; Dahn, J. R. Electrochem. Solid-State Lett. 2001, 4 (9) A137-A140
3. Kasavajjula, U.; Wang, C. S.; Appleby, A. J. J. Power Sources 2007, 163 (2) 1003-1039
4. Huang, J. Y.; Zhong, L.; Wang, C. M.; Sullivan, J. P.; Xu, W.; Zhang, L. Q.; Mao, S. X.; Hudak, N. S.; Liu, X. H.; Subramanian, A.; Fan, H. Y.; Qi, L. A.; Kushima, A.; Li, J. Science 2010, 330 (6010) 1515-1520
5. Bruce, P. G.; Freunberger, S. A.; Hardwick, L. J.; Tarascon, J. M. Nat. Mater. 2012, 11 (1) 19-29
6. Zheng, G. Y.; Yang, Y.; Cha, J. J.; Hong, S. S.; Cui, Y. Nano Lett. 2011, 11 (10) 4462-4467
7. Huggins, R. A.; Nix, W. D. Ionics 2000, 6 (1-2) 57-63
8. Chan, C. K.; Peng, H. L.; Liu, G.; McIlwrath, K.; Zhang, X. F.; Huggins, R. A.; Cui, Y. Nat. Nanotechnol. 2008, 3 (1) 31-35
9. Takamura, T.; Ohara, S.; Uehara, M.; Suzuki, J.; Sekine, K J. Power Sources 2004, 129 (1) 96-100
10. Haftbaradaran, H.; Xiao, X.; Verbrugge, M. W.; Gao., H. J. Power Sources 2012, 206, 357-366
11. Yu, C.; Li, X.; Ma, T.; Rong, J.; Zhang, R.; Shaffer, J.; An, Y.; Liu, Q.; Wei, B.; Jiang, H. Adv. Mater. 2012, 2 (1) 68-73
12. Yao, Y.; McDowell, M. T.; Ryu, I.; Wu, H.; Liu, N. A.; Hu, L. B.; Nix, W. D.; Cui, Y. Nano Lett. 2011, 11 (7) 2949-2954
13. Hertzberg, B.; Alexeev, A.; Yushin, G. J. Am. Chem. Soc. 2010, 132 (25) 8548-8549
14. Cui, L. F.; Hu, L. B.; Choi, J. W.; Cui, Y. Nano Lett. 2010, 4 (7) 3671-3678
15. Wu, H.; Chan, G; Choi, J. W.; Ryu, I; Yao, Y.; McDowell, M. T.; Lee, S. W.; Jackson, A.; Yang, Y.; Hu, L.; Cui, Y. Nat. Nanotechnol. 2012, 7, 310-315
16. Wu, H.; Zheng, G.; Liu, N.; Carney, T. J.; Yang, Y.; Cui, Y. Nano Lett. 2012, 12 (2) 904-909
17. Hwang, T. H.; Lee, Y. M.; Kong, B.; Seo, J.; Choi, J. W. Nano Lett. 2012, 12 (2) 802-809
18. Sethuraman, V. A.; Chon, M. J.; Shimshak, M.; Srinivasan, V.; Guduru, P. R. J. Power Sources 2010, 195 (15) 5062-5066
19. Li, J. C.; Dozier, A. K.; Li, Y. C.; Yang, F. Q.; Cheng, Y. T. J. Electrochem. Soc. 2011, 158 (6) A689-A694
20. Bower, A. F.; Guduru, P. R.; Sethuraman, V. A. J. Mech. Phys. Solids 2011, 59 (4) 804-828
21. Zhao, K. J.; Pharr, M.; Vlassak, J. J.; Suo, Z. G. J. Appl. Phys. 2011, 109 (1) 016110-1-016110-3
22. Zhao, K. J.; Pharr, M.; Cai, S. Q.; Vlassak, J. J.; Suo, Z. G. J. Am. Ceram. Soc. 2011, 94, S226-S235
23. Zhao, K. J.; Pharr, M.; Wan, Q.; Wang, W. L.; Kaxiras, E.; Vlassak, J. J.; Suo, Z. G. J. Electrochem. Soc. 2012, 159 (3) A238-A243
24. Wan, W. H.; Zhang, Q. F.; Cui, Y.; Wang, E. G. J. Phys.: Condens. Matter 2010, 22 (41) 415501-9
25. Zhang, Q. F.; Zhang, W. X.; Wan, W. H.; Cui, Y.; Wang, E. G. Nano Lett. 2010, 10 (9) 3243-3249
26. Zhang, Q. F.; Cui, Y.; Wang, E. G. J. Phys. Chem. C 2011, 115 (19) 9376-9381
27. Ng, M.-F.; Sullivan, M. B.; Tong, S. W.; Wu, P. Nano Lett. 2011, 11 (11) 4794-4799
28. Jung, S. C.; Han, Y. K. Phys. Chem. Chem. Phys. 2011, 13 (48) 21282-21287
29. Chou, C.-Y.; Kim, H.; Hwang, G. S. J. Phys. Chem. C 2011, 115 (40) 20018-20026
30. Kim, H.; Chou, C.-Y.; Ekerdt, J. G.; Hwang, G. S. J. Phys. Chem. C 2011, 115 (5) 2514-2521
31. Shenoy, V. B.; Johari, P.; Qi, Y. J. Power Sources 2010, 195 (19) 6825-6830
32. Huang, S.; Zhu, T. J. Power Sources 2011, 196 (7) 3664-3668
33. Chevrier, V. L.; Dahn, J. R. J. Electrochem. Soc. 2009, 156 (6) A454-A458
34. Chevrier, V. L.; Dahn, J. R. J. Electrochem. Soc. 2010, 157 (4) A392-A398
35. Zhao, K. J.; Wang, W. L.; Gregoire, J.; Pharr, M.; Suo, Z. G.; Vlassak, J. J.; Kaxiras, E. Nano Lett. 2011, 11 (7) 2962-2967
36. Freund, L. B.; Suresh, S. Thin film materials; Cambridge University Press: Cambridge, U.K., 2003.
37. Soni, S. K.; Sheldon, B. W.; Xiao, X. C.; Tokranov, A. Scr. Mater. 2010, 64 (4) 307-310
38. Pyun, S. I.; Go, J. Y.; Jang, T. S. Electrochim. Acta 2004, 49 (25) 4477-4486
39. Soler, J. M.; Artacho, E.; Gale, J. D.; Garcia, A.; Junquera, J.; Ordejon, P.; Sanchez-Portal, D. J. Phys.: Condens. Matter 2002, 14 (11) 2745-2779 (we use the PBE exchange-correlation functional, norm-conserving pseudopotentials, and reciprocal-space mesh cutoff equivalent to a 10 Å real-space period for the amorphous supercell)
40. Bazant, M. Z.; Kaxiras, E.; Justo, J. F. Phys. Rev. B 1997, 56 (14) 8542-8552
41. Mo, Y.; Bazant, M. Z.; Kaxiras, E. Phys. Rev. B 2004, 70 (20) 20510-1-205210-10
42. Ding, N.; Xu, J.; Yao, Y. X.; Wegner, G.; Fang, X.; Chen, C. H.; Lieberwirth, I. Solid State Ionics 2009, 180 (2-3) 222-225
43. Xie, J.; Imanishi, N.; Zhang, T.; Hirano, A.; Takeda, Y.; Yamamoto, O. Mater. Chem. Phys. 2010, 120 (2-3) 421-425
44. Tolpygo, V. K.; Clarke, D. R. Acta Mater. 2004, 52 (17) 5129-5141
45. Oh, J.; Thompson, C. V. Electrochim. Acta 2011, 56 (11) 4044-4051
46. Ulm, F. J.; Coussy, O.; Li, K. F.; Larive, C. J. Eng. Mech. Div., Am. Soc. Civ. Eng. 2000, 126 (3) 233-242
47. Brassart, L.; Suo, Z. G. J. Mech. Phys. Solids 2012, submitted for publication.
48. Hill, R. The Mathematical Theory of Plasticity; Oxford University Press: Oxford, U.K., 1950.
49. Cui, Z. W.; Gao, F.; Cui, Z. H.; Qu, J. M. J. Power Sources 2012, 207, 150-159
50. Key, B.; Bhattacharyya, R.; Morcrette, M.; Seznec, V.; Tarascon, J.-M.; Grey, C. P. J. Am. Chem. Soc. 2009, 131 (26) 9239-9249
51. Johari, P.; Qi, Y.; Shenoy, V. B. Nano Lett. 2011, 11 (12) 5494-5500
52. McAuthur, M. A. An in-situ investigation of solid electrolyte interphase formation on electrode materials for lithium-ion batteries using spectroscopic ellipsometry. Thesis for the Degree of Master of Science, Dalhousie University, 2011.