Structures and relative stability of neutral gold clusters: Au n (n=15-19)

Journal of Chemical Physics

Volumn 125, Issue 15, 2006, Pages

  Bulusu, Satya ^b   Zeng, X C ^a  

^a UNIVERSITY OF NEBRASKA LINCOLN   (United States)

^b NONE

Author keywords

[No Author keywords available]

Indexed keywords

BIMETALLIC CLUSTERS; NEUTRAL CLUSTERS; STRUCTURAL TRANSITION;

MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; STABILITY;

GOLD;

GOLD; METAL NANOPARTICLE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; MACROMOLECULE; QUANTUM THEORY;

COMPUTER SIMULATION; GOLD; MACROMOLECULAR SUBSTANCES; METAL NANOPARTICLES; MODELS, CHEMICAL; QUANTUM THEORY;

EID: 33750151456     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2352755     Document Type: Article

References (42)

1. R. L. Whetten, J. T. Khoury, M. M. Alvarez, S. Murthy, I. Vez-mar, Z. L. Wang, P. W. Stephens, C. L. Cleveland, W. D. Ludedtke, and U. Landman, Adv. Mater. (Weinheim, Ger.) 5, 8 (1996).
2. C. A. Mirkin, R. L. Letsinger, R. C. Mucic, and J. Storhoff, Nature (London) 382, 607 (1996).
3. A. P. Alivisatos, K. P. Johnsson, X. Peng, T. E. Wilson, C. J. Loweth, M. P. Bruchez, and P. G. Schultz, Nature (London) 382, 609 (1996).
4. P. Pyykkö, Angew. Chem., Int. Ed. 43, 4412 (2004).
5. P. Schwerdtfeger, Angew. Chem., Int. Ed. 42, 1982 (2003).
6. H. Häkkinen and U. Landman, Phys. Rev. B 62, R2287 (2000).
7. J. Wang, G. H. Wang, and J. Zhao, Phys. Rev. B 66, 035418 (2002).
8. H. Häkkinen, B. Yoon, U. Landman, X. Li, H.-J. Zhai, and L.-S. Wang, J. Phys. Chem. A 107, 6168 (2003).
9. H. M. Lee, M. Ge, B. R. Sahu, P. Tarakeshwar, and K. S. Kim, J. Phys. Chem. B 107, 9994 (2003).
10. J. Li, X. Li, H.-J. Zhai, and L.-S. Wang, Science 299, 864 (2003).
11. L. Xiao and L. Wang, Chem. Phys. Lett. 392, 452 (2004).
12. F. Remacle and E. S. Kryachko, J. Chem. Phys. 122, 044304 (2005).
13. R. M. Olson, S. Varganov, M. S. Gordon, H. Metiu, S. Chretien, P. Piecuch, K. Kowalski, S. A. Kucharski, and M. Musial, J. Am. Chem. Soc. 127, 1049 (2005).
14. Y.-K. Han, J. Chem. Phys. 124, 024316 (2006).
15. A. V. Walker, J. Chem. Phys. 122, 94310 (2005).
16. W. Fa, C. Luo, and J. Dong, Phys. Rev. B 72, 205428 (2005).
17. Y. Gao, S. Bulusu, N. Shao, and X. C. Zeng (unpublished).
18. S. Bulusu, X. Li, L.-S. Wang, and X. C. Zeng, Proc. Natl. Acad. Sci. U.S.A. 103, 8326 (2006).
19. M. Kabir, A. Mookerjee, and A. K. Bhattacharya, Phys. Rev. A 69, 043203 (2004).
20. G. H. Guvelioglu, P. Ma, X. He, R. C. Forrey, and H. Cheng, Phys. Rev. Lett. 94, 026103 (2005).
21. M. Yang, K. A. Jackson, C. Koehler, Th. Frauenheim, and J. Jellinek, J. Chem. Phys. 124, 024308 (2006).
22. R. Fournier, J. Chem. Phys. 115, 2165 (2001).
23. J. Zhao, Y. Luo, and G. Wang, Eur. Phys. J. D 14, 309 (2001).
24. E. M. Fernández, J. M. Soler, I. L. Garzón, and L. C. Balbás, Phys. Rev. B 0163-1829 10.1103/PhysRevB.70.165403 70, 165403 (2004); E. M. Fernández, J. M. Soler, and L. C. Balbás, Phys. Rev. B 73, 235433 (2006).
25. E. M. Fernández, J. M. Soler, I. L. Garzón, and L. C. Balbás, Phys. Rev. B 0163-1829 10.1103/PhysRevB.70.165403 70, 165403 (2004); E. M. Fernández, J. M. Soler, and L. C. Balbás, Phys. Rev. B 73, 235433 (2006).
26. J. P. K. Doye and D. J. Wales, New J. Chem. 773 (1998).
27. I. L. Garzón, K. Michaelian, M. R. Beltrán, A. Posada-Amarillas, P. Ordejón, E. Artacho, D. Sánchez-Portal, and J. M. Soler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.81.1600 81, 1600 (1998); K. Michaelian, N. Rendón, and I. L. Garzón, Phys. Rev. B 60, 2000 (1999).
28. I. L. Garzón, K. Michaelian, M. R. Beltrán, A. Posada-Amarillas, P. Ordejón, E. Artacho, D. Sánchez-Portal, and J. M. Soler, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.81.1600 81, 1600 (1998); K. Michaelian, N. Rendón, and I. L. Garzón, Phys. Rev. B 60, 2000 (1999).
29. F. Furche, R. Ahlrichs, P. Weis, C. Jacob, S. Glib, T. Bierweiler, and M. M. Kappes, J. Chem. Phys. 117, 6982 (2002).
30. D. J. Wales and H. A. Scheraga, Science 285, 1368 (1999).
31. S. Yoo and X. C. Zeng, Angew. Chem., Int. Ed. 44, 1491 (2005).
32. Y. Gao, S. Bulusu, and X. C. Zeng, J. Am. Chem. Soc. 127, 15680 (2005).
33. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
34. B. Delley, J. Chem. Phys. 92, 508 (1990).
35. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision C.02, Gaussian, Inc., Pittsburgh, PA, 2003.
36. M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 86, 866 (1987).
37. P. Schwerdtfeger, M. Dolg, W. H. E. Schwarz, G. A. Bowmaker, and P. D. W. Boyd, J. Chem. Phys. 91, 1762 (1989).
38. R. Ahlrichs, M. Bär, H.-P. Baron, TURBOMOLE V5-8-0.
39. P. Pyykkö, J. Organomet. Chem. (to be published).
40. P. Pyykkö and N. Runeberg, Angew. Chem., Int. Ed. 41, 2174 (2002).
41. X. Li, B. Kiran, J. Li, H. J. Zhai, and L.-S. Wang, Angew. Chem., Int. Ed. 41, 4786 (2002).
42. Y. Gao, S. Bulusu, and X. C. Zeng, ChemPhysChem (to be published).