First principles investigation of dynamic performance in the process of lithium intercalation into black phosphorus

Wuli Xuebao/Acta Physica Sinica

Volumn 61, Issue 24, 2012, Pages

  Zeng, Xiang Ming ^a,b   Yan, Hui Jun ^b   Ouyang, Chu Ying ^b  

^a XinYu University   (China)

^b JIANGXI NORMAL UNIVERSITY   (China)

Author keywords

Black phosphorus; Diffusion energy barriers; Elastic band method; Lithium ion batteries

Indexed keywords

EID: 84872579751     PISSN: 10003290     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (28)

1. Lu Q, Hu X G, Chen H Mao Y Z 2005 Chinese Patent ZL-03153105.9 [2005-07-06]
2. Motohiro N, Akitoshi H 2010 The 15th international Meeting on Lithium Batteries-IMLB Montréal, Canada, June 27 - July 3, 2010 248
3. Park C M, Sohn H J 2007 Adv. Mater. 19 2465
4. Tom N, Marcel K, Thorben P 2008 J. Solid-State Chem. 181 1707
5. Park C M 2008 US Patent 11 835 710 [2008-02-14]
6. Du Y L, Ouyang C Y, Shi S Q, Lei M S 2010 J. Appl. Phys. 107 093718
7. Ouyang C Y, Zeng X M, Sljivancanin Z, Baldereschi A 2010 J. Phys. Chem. C 114 4756
8. Zhong Z Y, Nie Z X, Du Y L, Ouyang C Y, Shi S Q, Lei M S 2009 Chin. Phys. 18 2492
9. Liu C H, Ouyang C Y, Ji Y H 2011 Acta Phys. Sin. 60 077103 (in Chinese)
10. Ouyang C Y, Wang D Y, Shi S Q, Wang Z X, Li H, Huang X J, Chen L Q 2006 Chin. Phys. Lett. 23 61
11. Jorn S G, Sylvia K 1999 J. Solid-State Chem. 147 341
12. Honle W, Manriquez V, Meyer T, Schnering H G 1983 Z. Kristallogr 162 104
13. Kresse G, Hafner J 1993 Phys. Rev. B 47 558
14. Kresse G, Furthmuller J 1996 Phys. Rev. B 54 10304
15. Blochl P E 1994 Phys. Rev. B 50 17953
16. Kresse G, Joubert D 1999 Phys. Rev. B 59 1758
17. Perdew J P, Wang Y 1992 Phys. Rev. B 45 13244
18. Perdew J P, Chevary J A 1992 Phys. Rev. B 46: 6671
19. Monkhorst H J, Pack J D 1976 Phys. Rev. B 13 5188
20. Henkelman G, Uberuaga B P, Jonsson H 2000 J. Chem. Phys. 113 22
21. Sheppard D, Terrell R, Henkelman G 2008 J. Chem. Phys. 128, 134106
22. Jorn S G, Sylvia K 1999 J. Solid-State Chem. 147 341
23. Persson K, Sethuraman V A, Hardwick L J, Hinuma Y, Meng Y S, Van V A, Srinivasan V, Kostecki R, Ceder G 2010 J. Phys. Chem. Lett. 1 1176
24. Van V A, Ceder G 2000 Electrochem. Solid-State Lett. 3 301
25. Ouyang C Y, Shi S Q, Wang Z X, Huang X J, Chen L Q 2004 Phys. Rev. B 69 104303
26. Morgan D, Van V A, Ceder G 2004 Electrochem. Solid-State Lett. 7 A30
27. Du Y A, Holzwarth N A W 2007 Phys. Rev. B 76 174302
28. Weppner W, Huggins R A 1977 J. Electrochem. Soc. 124 1569