Growth behavior of La@ Sin (n=1-21) metal-encapsulated clusters

Journal of Chemical Physics

Volumn 128, Issue 8, 2008, Pages

  Peng, Qi ^a   Shen, Jiang ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY BEIJING   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; FULLERENES; GROWTH RATE; IONIZATION POTENTIAL; PARTICLE SIZE; REACTION RATES;

ADIABATIC IONIZATION POTENTIAL; CORRELATION FUNCTIONALS; METAL-ENCAPSULATED CLUSTERS; SIZE RANGE;

NANOCLUSTERS;

EID: 40149112155     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2834691     Document Type: Article

References (41)

1. Q. Sun, Q. Wang, P. Jena, B. K. Rao, and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.135503 90, 135503 (2003).
2. L. Mitas, J. C. Grossman, I. Stich, and J. Tobik, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.84.1479 84, 1479 (2000).
3. V. Kumar and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.235504 88, 235504 (2002).
4. L.-J. Guo, X. Liu, and G.-F. Zhao, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2743412 126, 234704 (2007).
5. N. Uchida, T. Miyazaki, and T. Kanayama, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.205427 74, 205427 (2006).
6. M. B. Torres, E. M. Fernández, and L. C. Balbás, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.75.205425 75, 205425 (2007).
7. J. Wang and J.-G. Han, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1998887 123, 064306 (2005).
8. Y. Gao and X. C. Zeng, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2121568 123, 204325 (2005).
9. G. Mpourmpakis and G. E. Froudakis, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.125407 68, 125407 (2003).
10. E. N. Koukaras, C. S. Garoufalis, and A. D. Zdetsis, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.235417 73, 235417 (2006).
11. A. D. Zdetsis, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.75.085409 75, 085409 (2007).
12. S. M. Beck, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.452877 87, 4233 (1987).
13. S. M. Beck, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.456684 90, 6306 (1989).
14. H. Hiura, T. Miyazaki, and T. Kanayama, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.1733 86, 1733 (2001).
15. J. Lu and S. Nagase, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.115506 90, 115506 (2003).
16. H. Prinzbach, A. Weiler, P. Landenberger, F. Wahl, J. G. Wacker, J. L. Fye, and M. F. Jarrold, Nature (London) NATUAS 0028-0836 10.1038/35024037 407, 60 (2000).
17. V. Kumar and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.045503 87, 045503 (2001); V. Kumar and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.199901 91, 199901 (2003).
18. S. N. Khanna, B. K. Rao, P. Jena, and S. K. Nayak, Chem. Phys. Lett. CHPLBC 0009-2614 373, 433 (2003).
19. S. N. Khanna, B. K. Rao, and P. Jena, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.89.016803 89, 016803 (2002).
20. V. Kumar, A. Kumar Singh, and Y. Kawazoe, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.125411 74, 125411 (2006).
21. A. Kumar Singh, V. Kumar, and Y. Kawazoe, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.115429 71, 115429 (2005).
22. B. Delley, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.458452 92, 508 (1990).
23. B. Delley, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.460208 94, 7245 (1991).
24. J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.13244 45, 13244 (1992).
25. W. J. Stevens, M. Krauss, and H. Basch, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.447604 81, 6026 (1984).
26. W. J. Stevens, H. Basch, M. Krauss, and P. Jasien, Can. J. Chem. CJCHAG 0008-4042 10.1139/v92-085 70, 612 (1992).
27. T. R. Cundari and W. J. Stevens, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464902 987, 5555 (1993).
28. P. C. Hohenberg and W. Kohn, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.136.B864 136, 864 (1964).
29. W. Kohn and L. J. Sham, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.140. A1133 140, 1133 (1965).
30. R. S. Mulliken, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1740589 23, 1841 (1955).
31. D. B. Zhang and J. Shen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1647513 120, 5081 (2004).
32. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988).
33. D. B. Zhang and J. Shen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1647060 120, 5104 (2004).
34. D. B. Zhang and J. Shen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1979469 123, 049903 (2005).
35. R. Car and M. Parrinello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.55.2471 55, 2471 (1985).
36. F. S. Ham, J. Lumin. JLUMA8 0022-2313 10.1016/S0022-2313(99)00187-8 85, 193 (2000).
37. L. Ma, J. Zhao, and B. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.125439 73, 125439 (2006).
38. J. Wang, Q.-M. Ma, Z. Xie, Y. Liu, and Y.-C. Li, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.76.035406 76, 035406 (2007).
39. H. Kawamura, V. Kumar, and Y. Kawazoe, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.245433 70, 245433 (2004).
40. H. Kawamura, V. Kumar, and Y. Kawazoe, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.075423 71, 075423 (2005).
41. Weijun Zheng and J. Michael Nilles, Dunja Radisic, and Kit H. Bowen, Jr., J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1851984 122, 071101 (2005).