Mechanisms for catalytic carbon nanofiber growth studied by ab initio density functional theory calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 73, Issue 11, 2006, Pages

  Abild Pedersen, Frank ^a   Nørskov, Jens K ^a   Rostrup Nielsen, Jens R ^b   Sehested, Jens ^b   Helveg, Stig ^b  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b HALDOR TOPSØE A S   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33645047922     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.73.115419     Document Type: Article

References (40)

1. K. P. de Jong and J. W. Geus, Adv. Catal. ADCAAX 0065-2342 42, 481 (2000).
2. M. Terrones, Int. Mater. Rev. INMREO 0950-6608 49, 6 (2004).
3. K. Hata, D. N. Futuba, K. Mizuno, T. Numai, M. Yumura, and S. Iijima, Science SCIEAS 0036-8075 10.1126/science.1104962 306, 1362 (2004).
4. P. M. Ajayan, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 10.1021/cr970102g 99, 1787 (1999).
5. J. R. Rostrup-Nielsen, J. Sehested, and J. K. Nørskov, Adv. Catal. ADCAAX 0065-2342 47, 65 (2002).
6. R. T. K. Baker, P. S. Harris, R. B. Thomas, and R. J. Waite, J. Catal. JCTLA5 0021-9517 10.1016/0021-9517(72)90032-2 26, 51 (1972).
7. J. R. Rostrup-Nielsen, J. Catal. JCTLA5 0021-9517 27, 343 (1972).
8. J. R. Rostrup-Nielsen and D. L. Trimm, J. Catal. JCTLA5 0021-9517 10.1016/0021-9517(77)90087-2 48, 155 (1977).
9. T. Baird, J. R. Fryer, and B. Grant, Carbon CRBNAH 0008-6223 12, 591 (1974).
10. H. E. Grenga and K. R. Lawless, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1661351 43, 1508 (1972).
11. S. Hofmann, C. Ducati, J. Robertson, and B. Kleinsorge, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1589187 83, 135 (2003).
12. A. Oberlin, M. Endo, and T. Koyama, J. Cryst. Growth JCRGAE 0022-0248 10.1016/0022-0248(76)90115-9 32, 335 (1976).
13. R. Sharma and Z. Iqbal, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1646465 84, 990 (2004).
14. R. Sharma, P. Rez, M. Treacy, and S. Stuart, J. Electron Microsc. JELJA7 0022-0744 54, 231 (2005).
15. S. Helveg, C. López-Cartes, J. Sehested, P. L. Hansen, B. S. Clausen, J. R. Rostrup-Nielsen, F. Abild-Pedersen, and J. K. Nørskov, Nature (London) NATUAS 0028-0836 10.1038/nature02278 427, 426 (2004).
16. H. S. Bengaard, J. K. Nørskov, J. Sehested, B. S. Clausen, L. P. Nielsen, A. M. Molenbroek, and J. R. Rostrup-Nielsen, J. Catal. JCTLA5 0021-9517 10.1006/jcat.2002.3579 209, 365 (2002).
17. L. Vitos, A. V. Ruban, H. L. Skriver, and J. Kollar, Philos. Mag. B PMABDJ 1364-2812 10.1080/014186398257754 78, 487 (1998).
18. B. Hammer, L. B. Hansen, and J. K. Nørskov, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.7413 59, 7413 (1999).
19. D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.41.7892 41, R7892 (1990).
20. M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.64.1045 64, 1045 (1992).
21. J. L. F. Da Silva, C. Stampfl, and M. Scheffler, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.066104 90, 066104 (2003).
22. R. Rosei, M. De Crescenzi, F. Sette, C. Quaresima, A. Savoia, and P. Perfetti, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.28.1161 28, 1161 (1983).
23. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
24. G. Mills, H. Jónsson, and G. K. Schenter, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(94)00731-4 324, 305 (1995).
25. R. T. Vang, K. Honkala, S. Dahl, E. K. Vestergaard, J. Schnadt, E. Lægsgaard, B. S. Clausen, and J. K. Nørskov, Nat. Mater. NMAACR 1476-1122 10.1038/nmat1311 4, 160 (2005).
26. T. P. Beebe Jr., D. W. Goodman, B. D. Kay, and J. T. Yates Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.453162 87, 2305 (1987).
27. F. Abild-Pedersen, O. Lytken, J. Engbæk, G. Nielsen, I. Chorkendorff, and J. K. Nørskov, Surf. Sci. SUSCAS 0039-6028 590, 127 (2005).
28. W. Humphrey, A. Dalke, and K. Schulten, J. Mol. Graphics JMGRDV 0263-7855 10.1016/0263-7855(96)00018-5 14, 33 (1996).
29. U. Yxklinten, J. Hartford, and T. Holmquist, Phys. Scr. PHSTBO 0031-8949 55, 499 (1997).
30. M. Todorova, W. X. Li, M. V. Ganduglia-Pirovano, C. Stampfl, K. Reuter, and M. Scheffler, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89. 096103 89, 096103 (2002).
31. J. J. Lander, H. E. Kern, and A. L. Beach, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1702064 23, 1305 (1952).
32. T. A. Massaro and E. E. Petersen, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1659976 42, 5534 (1971).
33. R. T. Yang and J. P. Chen, J. Catal. JCTLA5 0021-9517 10.1016/0021-9517(89)90006-7 115, 52 (1989).
34. B. Hammer and J. K. Nørskov, Adv. Catal. ADCAAX 0065-2342 10.1016/S0360-0564(02)45013-4 45, 71 (2000).
35. D. C. Langreth, M. Dion, H. Rydberg, E. Schröder, P. Hyldgaard, and B. I. Lundqvist, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/qua.20315 101, 599 (2005).
36. M. F. Ashby and D. R. H. Jones, Engineering Materials: 1 An Introduction to their Properties and Applications (Butterworth-Heinemann, Oxford, 2000).
37. I. Alstrup, J. Catal. JCTLA5 0021-9517 10.1016/0021-9517(88)90207-2 109, 241 (1988).
38. J. W. Snoeck, G. F. Froment, and M. Fowless, J. Catal. JCTLA5 0021-9517 10.1006/jcat.1997.1634 169, 240 (1997).
39. D. L. Trimm, Catal. Rev. - Sci. Eng. CRSEC9 0161-4940 16, 155 (1977).
40. F. Besenbacher, I. Chorkendorff, B. S. Clausen, B. Hammer, A. M. Molenbroek, J. K. Nørskov, and I. Stensgaard, Science SCIEAS 0036-8075 10.1126/science.279.5358.1913 279, 1913 (1998).