First principles study of small palladium cluster growth and isomerization

International Journal of Quantum Chemistry

Volumn 107, Issue 7, 2007, Pages 1632-1641

  Luo, Chen ^a   Zhou, Chenggang ^a,b   Wu, Jinping ^a   Kumar, T J Dhilip ^b   Balakrishnan, Naduvalath ^b   Forrey, Robert C ^c   Cheng, Hansong ^d  

^a CHINA UNIVERSITY OF GEOSCIENCES   (China)

^b UNIVERSITY OF NEVADA   (United States)

^c PENNSYLVANIA STATE UNIVERSITY   (United States)

^d AIR PRODUCTS AND CHEMICALS INC   (United States)

Author keywords

Cluster evolution; Cluster isomerization; Pd clusters

Indexed keywords

CLUSTER EVOLUTION; CLUSTER ISOMERIZATION; PALLADIUM CLUSTERS;

APPROXIMATION THEORY; BINDING ENERGY; DENSITY FUNCTIONAL THEORY; GROWTH (MATERIALS); ISOMERIZATION;

PALLADIUM;

EID: 34247368039     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21315     Document Type: Article

References (51)

1. Cheng, H.; Wang, L. S. Phys Rev Lett 1996, 77, 51.
2. Futschek, T.; Marsman, M.; Hafner, J. J Phys Condens Matter 2005, 58, 532.
3. Karabacak, M.; Özçelik, S.; Güvenç, Z. B. Surf Sci 2002, 507-510, 636.
4. Karabacak, M.; Özçelik, S.; Güvenç, Z. B. Surf Sci 2003, 532-535, 306.
5. Guo, X.-Y. Phys Chim Sin 2003, 19, 174.
6. Guvelioglu, G. H.; Ma, P.; He, X.; R. C., Forrey, Cheng, H. Phys Rev Lett 2005, 94, 026103.
7. Guvelioglu, G. H.; Ma, P.; He, X.; R. C., Forrey, Cheng, H. Phys Rev B 2006, 73, 155436.
8. Forrey, R. C.; Guvelioglu, G. H.; Ma, P.; He, X.; Cheng, H. Phys Rev B 2006, 73, 155437.
9. Nie, A.; Wu, J.; Zhou, C.; Yao, S.; Luo, C.; Forrey, R. C.; Cheng, H. Int J Quan Chem (in press).
10. Cui, O.; Musaev, D. G.; Morokuma, K. J. J Chem Phys 1998, 108, 8418.
11. Efremenko, I.; Sheintuch, M. J Mol Catal A: Chem 2000, 160, 445.
12. Kumar, V. Comput Mater Sci 2006, 35, 375.
13. Aguilera-Granja, F.; Montejano-Carrizales, J. M.; Berlanga-Ramirez, E. O.; Vega, A. Phys Rev B 1998, 58, 1665.
14. Watari, N.; Ohnishi, S. Phys Rev B 1998, 58, 1665.
15. Che, M.; Bennett, C. O. Adv Catal 1989, 36, 55.
16. Xiao, Y.; Yu, G.; Yuan, J.; Wang, J.; Chen, Z. Electrochim Acta 2006, 51, 4218.
17. Walter, E. C.; Murray, B. J.; Favier, F.; Kaltenpoth, G.; Penner, R. M. J Phys Chem B 2002, 106, 11407.
18. Walter, E. C.; Favier, F.; Penner, R. M. Anal Chem 2002, 74, 1546.
19. Stanislsus, S. A.; Cooper, B. H. Catal Rev Sci Eng 1994, 36, 75.
20. Nava, P.; Sierka, M.; Ahlrichs, R. Phys Chem Chem Phys 1999, 74, 405.
21. Aguilerea-Granja, F.; Momtejano-Carrizales, J. M.; Verlanga-Ramirez, E. O.; Vega, A. Phys Lett B 2004, 354, 271.
22. Aguilerea-Granja, F.; Momtejano-Carrizales, J. M.; Vega, A. Phys Lett A 2004, 332, 107.
23. Aguilerea-Granja, F.; Momtejano-Carrizales, J. M.; Vega, A. Solid State Commun 2005, 133, 573.
24. Giordano, L.; Pacchioni, G. Surf Sci 2005, 575, 197.
25. Reifsnyder, S. N.; Otten, M. M.; Lamn, H. H. Catal Today 1998, 39, 317.
26. Takeguchi, M.; Mitsuishi, K.; Tanaka, M.; Furuya, K. Surf Sci 2003, 532-535, 671.
27. Chang, Z.; Thornton, G. Surf Sci 2000, 459, 303.
28. Koyasu, K.; Naono, Y.; Akutsu, M.; Mitsui, M.; Nakajima, A. Chem Phys Lett 2006, 442, 62.
29. Hu, H. N.; Chen, H. Y.; Yu, S. Y.; Chen, L. J.; Chen, J. L.; Wu, G. H. J Magn Magn Mater 2006, 299, 170.
30. Colbert, J.; Zangwill, A.; Strongin, M. Phys Rev B 1983, 27, 1378.
31. Perdew, J. P.; Wang, Y. Phys Rev B 1992, 45, 13244.
32. Delley, B. J Chem Phys 1990, 92, 508.
33. Delley, B. J Phys Chem 1996, 100, 6107.
34. Delley, B. Int J Quan Chem 1998, 69, 423.
35. Delley, B. J Phys Chem 1996, 113, 7756.
36. Lin, S.; Straus, B.; Kant, A. J Chem Phys 1969, 51, 2282.
37. Lide, D. R., Ed. Handbook of Chemistry and Physics; CRC Press: Boca Raton, FL, 1995.
38. Herzberg, G. Mol Spec Mol Struct 1979, 4.
39. Barretau, C.; Guirado-López, R.; Spanjaard, D.; Desjonqúeres, M. S.; Oles, A. Phys Rev B 2000, 61, 7781.
40. Rey, C.; Gallego, L. J.; García-Rodeja, J.; Alonso, J. A.; Iñiguez, M. P. Phys Rev B 1993, 48, 8253.
41. Cox, A. J.; Louderback, J. G.; Bloomfield, L. A. Phys Rev Lett 1993, 71, 923.
42. Cox, A. J.; Louderback, J. G.; Apsel, S. E.; Bloomfield, L. A. Phys Rev B 1994, 49, 12295.
43. Douglass, D. C.; Bucher, J. P.; Bloomfield, L. A. Phys Rev B 1992, 45, 6341.
44. Canteför, G.; Everhardt, W. Phys Rev Lett 1996, 76, 4975.
45. Zhao, J. J.; Chen, X. S.; Sun, Q.; Liu, F.; Wang, G. H. Europhys Lett 1995, 32, 113.
46. Dunlap, B. I. Phys Rev A 1990, 41, 5691.
47. Reddy, B. V.; Khanna, S. N.; Dunlap, B. I. Phys Rev Lett 1993, 70, 3323.
48. Kumar, V.; Kawazoe, Y. Phys Rev B 2002, 66, 144413.
49. Pontius, N.; Bechthold, P. S.; Eberhardt, M. N. J Elec Spectrosc Relat Phenom 2000, 106, 107.
50. Ervin, K. M.; Ho, J.; Lineberger, E. C. J Chem Phys 1998, 89, 4514.
51. Ho, J.; Polak, M. L.; Ervin, K. M.; Lineberger, W. C. J Chem Phys 1993, 99, 8542.