Structural variation of silver clusters from Ag13 to Ag 160

Journal of Physical Chemistry A

Volumn 111, Issue 23, 2007, Pages 5048-5056

  Yang, Xiaoli ^a   Cai, Wensheng ^a   Shao, Xueguang ^a  

^a NANKAI UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS MATERIALS; MOLECULAR INTERACTIONS; MOLECULAR STRUCTURE; STRUCTURAL OPTIMIZATION;

AMORPHOUS STRUCTURES; DYNAMIC LATTICE SEARCHING (DLS); SILVER CLUSTERS; STRUCTURAL VARIATION;

SILVER;

EID: 34347340516     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0711895     Document Type: Article

References (38)

1. Eachus, R. S.; Marchetti, A. P.; Muenter, A. A. The photophysics of silver halide imaging materials. Annu. Rev. Phys. Chem. 1999, 50, 117-144.
2. m and their deuterated analogs. J. Chem. Phys. 1997, 107 (24), 10555-10566.
3. Kim, S. H.; Medeiros-Ribeiro, G.; Ohlberg, D. A. A.; Stanley-Williams, R.; Heath, J. R. Individual and collective electronic properties of Ag nanocrystals. J. Phys. Chem. B 1999, 103, 10341-10347.
4. Wu, J.; Jiang, Y. S. Optimization of basis sets in valence bond calculations. Chem. Phys. Lett. 1999, 311, 315-320.
5. Lee, I.; Han, S. W.; Kim, K. Production of Au-Ag Alloy nanoparticles by laser ablation of bulk alloys. Chem. Commun. 2001, 1782-1783.
6. Johnston, R. L. Evolving better nanoparticles: genetic algorithms for optimising cluster geometries. J. Chem. Soc. Dalton Trans. 2003, 22, 4193-4207.
7. Marks, L. D. Experimental studies of small particle structures. Rep. Prog. Phys. 1994, 57, 603-649.
8. Martin, T. P. Shells of atoms. Phys. Rep. 1996, 273, 199-241.
9. Hall, B. D.; Flüeli, M.; Monot, R.; Borel, J. P. Multiply twinned structures in unsupported ultrafine silver particles observed by electron diffraction. Phys. Rev. B 1991, 43 (5), 3906-3917.
10. Reinhard, D.; Hall, B. D.; Ugarte, D.; Monot, R. Size-independent fcc-to-icosahedral structural transition in unsupported silver clusters: An electron diffraction study of clusters produced by inert-gas aggregation. Phys. Rev. B 1997, 55 (12), 7868-7881.
11. Baletto, F.; Mottet, C.; Ferrando, R. Reentrant morphology transition in the growth of free silver nanoclusters. Phys. Rev. Lett. 2000, 84 (24), 5544-5547.
12. Baletto, F.; Ferrando, R. Structural properties of nanoclusters: energetic, thermodynamic, and kinetic effects. Rev. Mod. Phys. 2005, 77 (1), 371-423.
13. Heer, W. A. The physics of simple metal clusters: experimental aspects and simple models. Rev. Mod. Phys. 1993, 65 (3), 611-676.
14. Baletto, F.; Mottet, C.; Ferrando, R. Microscopic mechanisms of the growth of metastable silver icosahedra. Phys. Rev. B 2001, 63, 155408-1-10.
15. Baletto, F.; Ferrando, R.; Fortunelli, A.; Montalenti, F.; Mottet, C. Crossover among structural motifs in transition and noble-metal clusters. J. Chem. Phys. 2002, 116 (9), 3856-3863.
16. n (n=2-6) clusters. Chem. Phys. Lett. 2006, 420, 550-555.
17. Matulis, V. E.; Ivashkevich, O. A.; Gurin, V. S. DFT study of electronic structure and geometry of neutral and anionic silver clusters. J. Mol. Struct. 2003, 664, 291-308.
18. 2 calculation. Chem. Phys. Lett. 2002, 355, 355-364.
19. René, F. Theoretical study of the structure of silver clusters. J. Chem. Phys. 2001, 115 (5), 2165-2177.
20. Erkoç, Ş.; Yilmaz, T. Molecular-dynamics simulations of silver clusters. Phys. E 1999, 5, 1-6.
21. Doye, J. P. K.; Wales, D. J. Global minima for transition metal clusters described by Sutton-Chen potentials. New. J. Chem. 1998, 22, 733-744.
22. Michaelian, K.; Rendón, N.; Garzón, I. L. Structure and energetics of Ni, Ag and Au nanoclusters. Phys. Rev. B 1999, 60 (3), 2000-2010.
23. Shao, X. G.; Liu, X. M.; Cai, W. S. Structural optimization of silver clusters up to 80 atoms with Gupta and Sutton-Chen potentials. J. Chem. Theor. Comput. 2005, 1, 762-768.
24. 120 by dynamic lattice searching method. Chem. Phys. Lett. 2006, 422, 358-362.
25. Shao, X. G.; Cheng, L. J.; Cai, W. S. A dynamic lattice searching method for fast optimization of Lennard-Jones clusters. J. Comput. Chem. 2004, 25, 1693-1698.
26. N clusters by using a dynamic lattice searching method. Chem. Phys. Chem. 2005, 6, 261-266.
27. Yang, X. L.; Cai, W. S.; Shao, X. G. A dynamic lattice searching method with constructed core for optimization of large Lennard-Jones clusters. J. Comput. Chem 2007, 28 (8), 1427-1433.
28. Cleveland, C. L.; Landman, U.; Schaaff, T. G.; Shafigullin, M. N.; Stephens, P. W.; Whetten, R. L. Structural evolution of smaller gold nanocrystals: the truncated decahedral motif. Phys. Rev. Lett. 1997, 79 (10), 1873-1876.
29. Jiang, H. Y.; Cai, W. S.; Shao, X. G. New lowest energy sequence of Mark's decahedral Lennard-Jones clusters containing up to 10000 atoms. J. Phys. Chem. A 2003, 107 (21), 4238-4243.
30. Xiang, Y. H.; Jiang, H. Y.; Cai, W. S. An efficient method based on lattice construction and the genetic algorithm for optimization of large Lennard-Jones clusters. J. Phys. Chem. A 2004, 108, 3586-3592.
31. Jacobsen, K. W.; Norskov, J. K.; Puska, M. J. Interatomic interactions in the effective-medium theory. Phys. Rev. B 1987, 35, 7423-7442.
32. Ercolessi, F.; Parrinello, M.; Tosatti, E. Simulation of gold in the glue model. Philos. Mag. A 1988, 58, 213-218.
33. Daw, M. S.; Baskes, M. I. Embedded-atom method: derivation and application to impurities, surfaces, and other defects in metals. Phys. Rev. B 1984, 29, 6443-6453.
34. Sutton, A. P.; Chen, J. Long-range Finnis-Sinclair potentials. J. Philos. Mag. Lett. 1990, 61, 139-146.
35. Rosato, A.; Guillope, M.; Legrand, B. Thermodynamical and structural- properties of FCC transition-metals using a simple tight-binding model. Philos. Mag. A 1989, 59, 321.
36. Gupta, R. P. Lattice relaxation at a metal surface. Phys. Rev. B 1981, 23, 6266-6270.
37. Mottet, C.; Tréglia, G.; Legrand, B. New magic numbers in metallic clusters: an unexpected metal dependence. Surf. Sci. 1997, 383, L719-L727.
38. Rossi, G.; Rapallo, A.; Mottet, C.; etc. Magic polyicosahedral coreshell clusters. Phys. Rev. Lett. 2004, 93 (10), 105503.