First-principles and experimental investigation of the morphology of layer-structured LiNiO 2 and LiCoO 2

Journal of Materials Chemistry

Volumn 22, Issue 25, 2012, Pages 12874-12881

  Kim, Yongseon ^a,b   Lee, Hyundeok ^b,c   Kang, Shinhoo ^a  

^a Seoul National University   (South Korea)

^b Samsung SDI   (South Korea)

^c Korea University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL MECHANISM; CRYSTAL FACETS; CRYSTAL MODELS; DENSITY FUNCTIONAL THEORY METHODS; DRIVING FORCES; EXPERIMENTAL INVESTIGATIONS; IONIC BONDING; LAYERED MATERIAL; LI ATOMS; LITHIUM-ION BATTERY; MOLECULAR ORBITAL METHOD; MORPHOLOGICAL CHARACTERISTIC; SMALL PARTICLES; THEORETICAL CALCULATIONS;

CALCULATIONS; CHEMICAL ANALYSIS; DENSITY FUNCTIONAL THEORY; INTERFACIAL ENERGY; MORPHOLOGY; ORBITAL CALCULATIONS; QUANTUM CHEMISTRY;

CRYSTAL ATOMIC STRUCTURE;

EID: 84862236593     PISSN: 09599428     EISSN: 13645501     Source Type: Journal    
DOI: 10.1039/c2jm31145c     Document Type: Article

References (33)

1. M. Thomas W. David J. Goodenough P. Groves Mater. Res. Bull. 1985 20 1137
2. J. R. Dahn U. Von Sacken M. W. Juzkow H. Al-Janaby J. Electrochem. Soc. 1991 138 2207
3. M. Broussely F. Perton J. Labat R. J. Staniewicz A. Romero J. Power Sources 1993 43-44 209
4. T. Ohzuku A. Ueda Solid State Ionics 1994 69 201
5. M. Winter J. Besenhard M. Spahr P. Novak Adv. Mater. 1998 10 725
6. W. Johnston R. Heikes D. Sestrich J. Phys. Chem. Solids 1958 7 1
7. H. Orman P. Wiseman Acta Crystallogr., Sect. A: Found. Crystallogr. 1984 40 12
8. T. Hewston B. Chamberland J. Phys. Chem. Solids 1987 48 97
9. J. Reimers W. Li J. Dahn Phys. Rev. B: Condens. Matter 1993 47 8486
10. M. Arroyo y de Dompablo G. Ceder J. Power Sources 2003 119-121 654
11. T. Ohzuku A. Ueda M. Kouguchi J. Electrochem. Soc. 1995 142 4033
12. H. Arai S. Ijadam Y. Sakurai J. Yamaki Solid State Ionics 1998 109 295
13. R. Stoyanova E. Zhecheva R. Alcantara J. Tirado G. Bromiley F. Bromiley T. Boffa Ballaran Solid State Ionics 2003 161 197
14. S. Albrecht J. Kumpers M. Kruft S. Malcus C. Vogler M. Wahl M. Wohlfahrt-Mehrens J. Power Sources 2003 119-121 178
15. M. Guilmard L. Croguennec D. Denux C. Delmas Chem. Mater. 2003 15 4476
16. H. Liang X. Qiu H. Chen Z. He W. Zhu L. Chen Electrochem. Commun. 2004 6 789
17. L. Hu Z. Xiong C. Ouyang S. Shi Y. Ji M. Lei Z. Wang H. Li X. Huang L. Chen Phys. Rev. B: Condens. Matter Mater. Phys. 2005 71 125433
18. D. Kramer G. Ceder Chem. Mater. 2009 21 3799
19. K. Teshima S. Lee Y. Mizuno H. Inagaki M. Hozumi K. Kohama K. Yubuta T. Shishido S. Oishi Cryst. Growth Des. 2010 10 4471
20. Y. Kim ACS Appl. Mater. Interfaces 2012 4 2329
21. G. Kresse D. Joubert Phys. Rev. B: Condens. Matter Mater. Phys. 1999 59 1758
22. G. Kresse J. Furthmuller Phys. Rev. B: Condens. Matter 1996 54 11169
23. L. Wang T. Maxisch G. Ceder Phys. Rev. B: Condens. Matter Mater. Phys. 2006 73 195107
24. L. Wang T. Maxisch G. Ceder Chem. Mater. 2007 19 543
25. H. Adachi M. Tsukada C. Satoko J. Phys. Soc. Jpn. 1978 45 875
26. J. Slater Phys. Rev. 1951 81 385
27. H. Adachi, Y. Kowada, I. Tanaka, H. Nakamatsu and M. Mizuno, Hajimeteno Denshijoutai Kaisan, Sankyo-Shuppan, Japan, Tokyo, 1998
28. Y. Kim S. Kang Acta Mater. 2011 59 126
29. Y. Kim S. Kang Acta Mater. 2011 59 3024
30. L. Wang F. Zhou Y. Meng G. Ceder Phys. Rev. B: Condens. Matter Mater. Phys. 2007 76 165435
31. Y. Kim D. Kim ACS Appl. Mater. Interfaces 2012 4 586
32. J. Reed G. Ceder Chem. Rev. 2004 104 4513
33. Y. Kim D. Kim S. Kang Chem. Mater. 2011 23 5388