A first-principles study on the effect of oxygen content on the structural and electronic properties of silicon suboxide as anode material for lithium ion batteries

Journal of Power Sources

Volumn 307, Issue , 2016, Pages 657-664

  Rahaman, Obaidur ^a   Mortazavi, Bohayra ^a   Rabczuk, Timon ^a,b  

^a BAUHAUS UNIVERSITY WEIMAR   (Germany)

^b Korea University   (South Korea)

Author keywords

Density functional theory; Lithium ion batteries; Silicon suboxide

Indexed keywords

ANODES; ATOMS; DENSITY FUNCTIONAL THEORY; ELECTRIC BATTERIES; ELECTRODES; ELECTRONIC PROPERTIES; IONS; LITHIUM; LITHIUM ALLOYS; LITHIUM COMPOUNDS; MIXTURES; OXYGEN; SILICATES; SILICON; SILICON BATTERIES;

ANODE MATERIAL FOR LITHIUM ION BATTERIES; FIRST-PRINCIPLES STUDY; LITHIUM SILICATES; LITHIUM STORAGE CAPACITY; REVERSIBLE CAPACITY; SILICON SUB OXIDES; STABLE COMPLEXES; STRUCTURAL AND ELECTRONIC PROPERTIES;

LITHIUM-ION BATTERIES;

EID: 84954420983     PISSN: 03787753     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpowsour.2016.01.003     Document Type: Article

References (30)

1. Y. Zhang, Y. Li, Z. Wang, and K. Zhao Nano Lett. 14 2014 7161
2. C.C. Nguyen, H. Choi, and S. Song J. Electrochem. Soc. 160 2013 A906
3. H. Kim, C. Chou, J.G. Ekerdt, and G.S. Hwang J. Phys. Chem. C 115 2011 2514
4. J.Y. Wan, A.F. Kaplan, J. Zheng, X.G. Han, Y.C. Chen, N.J. Weadock, N. Faenza, S. Lacey, T. Li, J. Guo, and L.B. Hu J. Mater. Chem. A 2 2014 6051
5. C.K. Chan, H.L. Peng, G. Liu, K. McIlwrath, X.F. Zhang, R.A. Huggins, and Y. Cui Nat. Nanotechnol. 3 2008 31
6. J. Graetz, C.C. Ahn, R. Yazami, and B. Fultz Electrochem. Solid State Lett. 6 2003 A194
7. D.T. Nguyen, C.C. Nguyen, J. Kim, J.Y. KIm, and S. Song ACS Appl. Mater. Interfaces 5 2013 11234
8. T. Kim, S. Park, and S.M. Oh J. Electrochem. Soc. 154 2007 A1112
9. K. Kim, J. Park, S. Doo, and T. Kim Thin Solid Films 518 2010 6547
10. P.R. Abel, Y.M. Lin, H. Celio, A. Heller, and C.B. Mullins ACS Nano 6 2012 2506
11. C. Chou, and G.S. Hwang Chem. Mater. 25 2013 3435
12. N. Liao, B. Zheng, H. Zhou, and W. Xue J. Mater. Chem. 2015 3
13. N. Liao, B. Zheng, H. Zhou, and W. Xue Electrochim. Acta 156 2015 115
14. G. Kresse, and J. Hafner Phys. Rev. B Condens. Matter 47 1993 558
15. G. Kresse, and J. Furthmuller Phys. Rev. B Condens. Matter 54 1996 11169
16. P.E. Blochl Phys. Rev. B Condens. Matter 50 1994 17953
17. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 1976 13
18. Y.Q. Wang, R. Smirani, and G.G. Ross J. Cryst. Growth 294 2006 486
19. C.-M. Park, W. Choi, Y. Hwa, J.-H. Kim, G. Jeong, and H.-J. Sohn J. Mater. Chem. 20 2010 4854
20. M. Mamiya, H. Takei, M. Kikuchi, and C. Uyeda J. Cryst. Growth 229 2001 457
21. M. Mamiya, M. Kikuchi, and H. Takei J. Cryst. Growth 237 2002 1909
22. F. Iacona, C. Bongiorno, C. Spinella, S. Boninelli, and F. Priolo J. Appl. Phys. 95 2004 3723
23. D. Yu, S. Lee, and G.S. Hwang J. Appl. Phys. 2007 102
24. V.L. Chevrier, and J.R. Dahn J. Electrochem. Soc. 156 2009 A454
25. S. Huang, and T. Zhu J. Power Sources 196 2011 3664
26. L.Y. Beaulieu, T.D. Hatchard, A. Bonakdarpour, M.D. Fleischauer, and J.R. Dahn J. Electrochem. Soc. 2003 150
27. K.J. Zhao, G.A. Tritsaris, M. Pharr, W.L. Wang, O. Okeke, Z.G. Suo, J.J. Vlassak, and E. Kaxiras Nano Lett. 12 2012 4397
28. Y.F. Zhang, Y.J. Li, Z.Y. Wang, and K.J. Zhao Nano Lett. 14 2014 7161
29. C. Chou, and G.S. Hwang Surf. Sci. 612 2013 16
30. T.D. Hatchard, and J.R. Dahn J. Electrochem. Soc. 151 2004 A838