Au20: A tetrahedral cluster

Science

Volumn 299, Issue 5608, 2003, Pages 864-867

  Li, Jun ^a   Li, Xi ^a,b   Zhai, Hua Jin ^a,b   Wang, Lai Sheng ^a,b  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL LATTICES; ENERGY GAP; PHOTOELECTRON SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; STABILITY; STRUCTURE (COMPOSITION);

ATOMIC PACKING;

GOLD;

GOLD;

CRYSTAL STRUCTURE; GOLD; LATTICE DYNAMICS; SPECTROSCOPY;

ARTICLE; CHEMICAL STRUCTURE; CLUSTER ANALYSIS; CRYSTAL STRUCTURE; DNA BINDING; GEOMETRY; ISOMER; MOLECULAR DYNAMICS; PRIORITY JOURNAL; X RAY PHOTOELECTRON SPECTROSCOPY;

EID: 0037423317     PISSN: 00368075     EISSN: None     Source Type: Journal    
DOI: 10.1126/science.1079879     Document Type: Article

References (40)

1. H. W. Kroto, J. R. Heath, S. C. O'Brien, R. F. Curl, R. E. Smalley, Nature 318, 162 (1985).
2. W. Krätschmer, L. D. Lamb, K. Fostiropoulos, D. R. Huffman, Nature 347, 354 (1990).
3. M. A. Hayat, Ed., Colloidal Cold: Principles, Methods, and Applications (Academic Press, New York, 1989).
4. H. Valden, X. Lai, D. W. Goodman, Science 281, 1647 (1998).
5. U. Heiz, W. D. Schneider, J. Phys. D Appl. Phys. 33, R85 (2000).
6. A. Sanchez et al., J. Phys. Chem. A 103, 9573 (1999).
7. N. Lopez, J. K. Nørskov, J. Am. Chem. Soc. 124, 11262 (2002).
8. H.-G. Boyen et al., Science 297, 1533 (2002).
9. R. Elghanian, J. J. Storhoff, R. C. Mucic, R. L. Letsinger, C. A. Mirkin, Science 277, 1078 (1997).
10. S. Chen et al., Science 280, 2098 (1998).
11. R. L. Whetten et al., Acc. Chem. Res. 32, 397 (1999).
12. A. C. Templeton, W. P. Wuelfing, R. W. Murray, Acc. Chem. Res. 33, 27 (2000).
13. W. D. Luedtke, U. Landman, J. Phys. Chem. 100, 13323 (1996).
14. O. D. Häberlen, S. C. Chung, M. Stener, N. Rösch, J. Chem. Phys. 106, 5189 (1997).
15. I. L. Garzón et al., Phys. Rev. Lett. 81, 1600 (1998).
16. V. Bonacic-Koutecky et al., J. Chem. Phys. 117, 3120 (2002).
17. S. Gilb, P. Weis, F. Furche, R. Ahlrichs, M. M. Kappes, J. Chem. Phys. 116, 4094 (2002).
18. H. Häkkinen, M. Moseler, U. Landman, Phys. Rev. Lett. 89, 033401 (2002).
19. F. Furche et al., J. Chem. Phys. 117, 6982 (2002).
20. L. S. Wang, C. F. Ding, X. B. Wang, S. E. Barlow, Rev. Sci. Instrum. 70, 1957 (1999).
21. L. S. Wang, X. Li, in Cluster and Nanostructure Interfaces, P. Jena, S. N. Khanna, B. K. Rao, Eds. (World Scientific, Singapore, 2000), pp. 293-300
22. K. J. Tarlor, C. L. Pettiette-Hall, O. Cheshnovsky, R. E. Smalley, J. Chem. Phys. 96, 3319 (1992).
23. L. S. Wang, H. S. Cheng, J. Fan, J. Chem. Phys. 102, 9480 (1995).
24. X. B. Wang, C. F. Ding, L. S. Wang, J. Chem. Phys. 110, 8217 (1999).
25. O. Gunnarsson et al., Phys. Rev. Lett. 74, 187S (1995).
26. W. A. de Heer, Rev. Mod. Phys. 65, 611 (1993).
27. P. Pyykkö, N. Runeberg, Angew. Chem. Int. Ed. 41, 2174 (2002).
28. X. Li, B. Kiran, J. Li, H. J. Zhai, L. S. Wang, Angew. Chem. Int. Ed. 41, 4786 (2002).
29. 14] core. The vertical detachment energies of the anions were calculated via the self-consistent field energy difference between the neutral and anion ground states and the excitation energies of the neutral state calculated by the time-dependent density functional theory method (32). All the calculations were accomplished with the Amsterdam Density Functional (ADF 2002) program (33). We found that these theoretical methods are suitable for smaller gold clusters, as well as for gold clusters doped with an impurity atom (28).
30. J. P. Perdew, Y. Wang, Phys. Rev. B 45, 13244 (1992).
31. E. van Lenthe, E. J. Baerends, J. G. Snijders, J. Chem. Phys. 99, 4597 (1993).
32. S. J. A. van Gisbergen, J. G. Snijders, E. J. Baerends, Comput. Phys. Commun. 118, 119 (1999).
33. ADF 2002, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, Netherlands (www.scm.com).
34. H. Prinzbach et al., Nature 407, 60 (2000).
35. N. T. Wilson, R. L. Johnston, Eur. Phys. J. D 12, 161 (2000).
36. J. Wang, G. Wang, J. Zhao, Phys. Rev. B 66, 354181 (2002).
37. N. Nilius, T. M. Wallis, W. Ho, Science 297, 1853 (2002).
38. 20.
39. 20 is highly chemically inert and will maintain its structural integrity during catalysis.
40. We thank B. Kiran for helpful discussion. This work was supported by NSF (grant CHE-9817811) and performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the U.S. Department of Energy's (DOE's) Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, operated for DOE by Battelle. All the calculations were performed with supercomputers at the EMSL Molecular Science Computing Facility.