The role of transition metal interfaces on the electronic transport in lithium-air batteries

Catalysis Today

Volumn 165, Issue 1, 2011, Pages 2-9

  Chen, Jingzhe ^a   Hummelshøj, Jens S ^b   Thygesen, Kristian S ^a   Myrdal, Jon S G ^a   Nørskov, Jens K ^b,c   Vegge, Tejs ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

^c Stanford University   (United States)

Author keywords

Density functional theory; Electronic transport; Lithium air batteries

Indexed keywords

ANTIBONDING; APPLIED BIAS; BATTERY DISCHARGE; BULK STATE; CHARGING CONDITIONS; ELECTRONIC CONDUCTION; ELECTRONIC TRANSPORT; INTERFACE STATE; LATTICE MATCHING; LIMITING FACTORS; LITHIUM VACANCY; LITHIUM-AIR BATTERIES; LITHIUM-AIR BATTERY; METAL INTERFACE; METAL SUBSTRATE; NON-EQUILIBRIUM GREEN'S FUNCTION; OVERPOTENTIAL; PT CATALYSTS;

CHARGING (BATTERIES); DENSITY FUNCTIONAL THEORY; ELECTRON MOBILITY; OXIDATION; PLATINUM; TRANSITION METALS;

LITHIUM;

EID: 79955384715     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cattod.2010.12.022     Document Type: Conference Paper

References (53)

1. K. Mizushima, P.C. Jones, P.J. Wiseman, and J.B. Goodenough Mater. Res. Bull. 15 1980 783
2. M.M. Thackeray, W.I.F. David, P.G. Bruce, and J.B. Goodenough Mater. Res. Bull. 18 1983 461
3. T. Nagaura Prog. Batteries Solar Cells 10 1991 209
4. M.S. Whittingham Chem. Rev. 104 2004 4271
5. T. Ogasawara, A. Débart, M. Holzapfel, P. Novák, and P.G. Bruce J. Am. Chem. Soc. 128 2006 1390
6. J.M. Tarascon, and M. Armand Nature 414 2001 359
7. A. Shukla, and T.P. Kumar Curr. Sci. 93 2008 314
8. M. Armand, and J.M. Tarascon Nature 451 2008 652
9. L.F. Cui, R. Ruffo, C.K. Chan, H. Peng, and Y. Cui Nano Lett. 9 2009 491
10. C.K. Chan, X.F. Zhang, and Y. Cui Nano Lett. 8 2008 307
11. L. Baggetto, R.A. Niessen, F. Roozeboom, and P.H. Notten Adv. Funct. Mater. 18 2008 1057
12. K.M. Abraham, and Z. Jiang J. Electrochem. Soc. 143 1996 1
13. J. Read J. Electrochem. Soc. 150 2003 A1351
14. S.S. Zhang, D. Foster, and J. Read J. Power Sources 195 2010 1235
15. C.O. Laoire, S. Mukerjee, K.M. Abraham, E.J. Plichta, and M.A. Hendrickson J. Phys. Chem. C 113 2009 20134
16. B. Kumar J. Electrochem. Soc. 157 2010 A50
17. P.G. Bruce, B. Scrosati, and J.M. Tarascon Angew. Chem. Int. Ed. Engl. 47 2008 2930
18. A. Debart, J. Bao, G. Armstrong, and P.G. Bruce ECS Trans. 3 2007 225
19. A. Débart, J. Bao, G. Armstrong, and P.G. Bruce J. Power Sources 174 2007 1177
20. J. Read J. Electrochem. Soc. 153 2006 A96
21. F.U. Renner Electrochim. Acta 53 2008 6064
22. Y.-C. Lu, Z. Xu, and H.A. Gasteiger JACS Commun. 2010 10.1021/ja1036572
23. X.-h. Yang, and Y.-y. Xia J. Solid State Electrochem. 14 2010 109
24. Y.-C. Lu, Z. Xu, H.A. Gasteiger, M.C. Parent, V. Chiloyan, and Y. Shao-Horn Electrochem. Solid State Lett. 13 2010 A69
25. J.S. Hummelshøj J. Chem. Phys. 132 2010 1
26. J. Greeley, and J.K. Norskov J. Phys. Chem. C 113 2009 4932
27. J. Greeley Nat. Chem. 1 2009 552
28. R. Forgie, G. Bugosh, K.C. Neyerlin, Z.C. Liu, and P. Strasser Electrochem. Solid State Lett. 13 2010 D36
29. M. Brandbyge, J.L. Mozos, P. Ordejon, J. Taylor, and K. Stokbro Phys. Rev. B 65 2002 165401
30. D.J. Mowbray, G. Jones, and K.S. Thygesen J. Chem. Phys. 128 2008 111103
31. K.S. Thygesen, and K.W. Jacobsen Phys. Rev. Lett. 94 2005 036807
32. K.S. Thygesen, and K.W. Jacobsen Phys. Rev. Lett. 91 2003 146801
33. J.M. Garcia-Lastra, K.S. Thygesen, M. Strange, and A. Rubio Phys. Rev. Lett. 101 2008 236806
34. K.S. Thygesen, and K.W. Jacobsen Chem. Phys. 319 2005 111
35. P. Hohenberg, and W. Kohn Phys. Rev. B 136 1964 B864
36. W. Kohn, and L.J. Sham Phys. Rev. 140 1965 1133
37. J.J. Mortensen, L.B. Hansen, and K.W. Jacobsen Phys. Rev. B 71 2005 035109
38. J. Enkovaara J. Phys.: Condens. Matter 22 2010 253202
39. S.R. Bahn, and K.W. Jacobsen Comp. Sci. Eng. 4 2002 56
40. P. Blöchl Phys. Rev. B 50 1994 17953
41. B. Hammer, L.B. Hansen, and J.K. Nørskov Phys. Rev. B 59 1999 7413
42. A.H. Larsen, M. Vanin, J.J. Mortensen, K.S. Thygesen, and K.W. Jacobsen Phys. Rev. B 80 2009 195112
43. P. Pulay Chem. Phys. Lett. 73 1980 393
44. Y. Meir, and N. Wingreen Phys. Rev. Lett. 68 1992 2512
45. G. Henkelman, and H. Jonsson J. Chem. Phys. 111 1999 7010
46. H. Jónsson, G. Mills, and K.W. Jacobsen Classical and Quantum Dynamics, in Condensed Phase Simulations 1998 World Scientific Singapore
47. P. Hänggi, P. Talkner, and M. Borkovec Rev. Mod. Phys. 62 1990 251
48. T. Vegge, T. Rasmussen, T. Leffers, O.B. Pedersen, and K.W. Jacobsen Phys. Rev. Lett 85 2000 3866
49. K. Burke, J.P. Perdew, and Y. Wang Phys. Rev. Lett. 77 1996 3865
50. M.W. Chase Jr., NIST-JANAF Thermochemical Tables, fourth edition, J. Phys. Chem. Ref. Data, Monograph 9 (1998) 1-1951.
51. Y. Xu, and W.A. Shelton J. Chem. Phys. 133 2009 024703
52. N. Seriani Nanotechnology 20 2009 445703
53. G. Girishkumar, B. McCloskey, A.C. Luntz, S. Swanson, and W. Wilcke J. Phys. Chem. Lett. 1 2010 2193