Skip to main content
SpringerLink
Log in

Global Optimization of Free and Supported Clusters

  • Chapter
  • First Online:
Book cover Metal Clusters and Nanoalloys

Part of the book series: Nanostructure Science and Technology ((NST))

  • 1299 Accesses

Abstract

The problem of searching for the lowest-energy structures of nanoparticles is considered. This problem is known as global optimization. After explaining some general features of the potential energy surface (PES) of nanoparticles, we focus on the Basin-hopping (BH) algorithm and its variants. Applications to specific systems are discussed, both for free and supported nanoparticles.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Log in via an institution
Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 129.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 169.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 169.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

References

  1. Baletto F, Ferrando R (2005) Rev Mod Phys 77:371

    Article  CAS  Google Scholar 

  2. Marks LD (1994) Rep Prog Phys 57:603

    Article  CAS  Google Scholar 

  3. Ferrando R, Jellinek J, Johnston RL (2008) Chem Rev (Washington, DC) 108:845

    Google Scholar 

  4. Baletto F, Mottet C, Ferrando R (2002) Phys Rev B 66:155420

    Article  Google Scholar 

  5. Baletto F, Mottet C, Ferrando R (2003) Phys Rev Lett 90:135504

    Article  CAS  Google Scholar 

  6. Rossi G, Rapallo A, Mottet C, Fortunelli A, Baletto F, Ferrando R (2004) Phys Rev Lett 93:105503

    Article  CAS  Google Scholar 

  7. Mariscal MM, Dassie SA, Leiva EPM (2005) J Chem Phys 123:184505

    Article  Google Scholar 

  8. Fromen MC, Morillo J, Casanove MJ, Lecante P (2006) Europhys Lett 73:885

    Article  CAS  Google Scholar 

  9. Cheng DJ, Wang WC, Huang SP (2006) J Phys Chem B 11:16193

    Article  Google Scholar 

  10. Ferrer D, Torres-Castro A, Gao X, Sepulveda-Guzman S, Ortiz-Mendez U, Jose-Yacaman M (2007) Nano Lett 7:1701

    Article  CAS  Google Scholar 

  11. Parsina I, Baletto F (2010) J Phys Chem C 114:1504

    Article  CAS  Google Scholar 

  12. Lordeiro RA, Guimaraes FF, Belchior JC, Johnston RL (2003) Int J Quantum Chem 95:112

    Article  CAS  Google Scholar 

  13. Wales DJ (2003) Energy landscapes. Cambridge University Press, Cambridge

    Google Scholar 

  14. Martin RM (2004) Electronic structure: basic theory and practical methods Cambridge University Press, Cambridge

    Google Scholar 

  15. Daw MS, Baskes MI (1984) Phys Rev B 296443

    Google Scholar 

  16. Cyrot-Lackmann F, Ducastelle F (1971) Phys Rev B 4:2406

    Article  Google Scholar 

  17. Gupta RP (1985) Phys Rev B 23:6265

    Article  Google Scholar 

  18. Rosato V, Guillopé M, Legrand B (1989) Philos Mag A59:321

    Google Scholar 

  19. Aprà E, Ferrando R, Fortunelli A (2006) Phys Rev B 73:205414

    Article  Google Scholar 

  20. De S, Ghasemi SA, Willand A, Genovese L, Kanhere D, Goedecker S (2011) J Chem Phys 134:124302

    Article  Google Scholar 

  21. Barcaro G, Fortunelli A, Rossi G, Nita F, Ferrando R (2006) J Phys Chem B 110:23197

    Article  CAS  Google Scholar 

  22. Bochicchio D, Ferrando R (2010) Nano Lett 10:4211

    Article  CAS  Google Scholar 

  23. Baletto F, Mottet C, Ferrando R (2000) Phys Rev Lett 84:5544

    Article  CAS  Google Scholar 

  24. Baletto F, Mottet C, Ferrando R (2001) Phys Rev B 63:155408

    Article  Google Scholar 

  25. Toai TJ, Rossi G, Ferrando R (2008) Faraday Discuss 138:49

    Article  CAS  Google Scholar 

  26. Paz SA, Leiva EPM, Jellinek J, Mariscal MM (2011) J Chem Phys 134:094701

    Article  CAS  Google Scholar 

  27. Garzon IL, Michaelian K, Beltran MR, Posada-Amarillas A, Ordejon P, Artacho E, Sanchez-Portal D, Soler JM (1998) Phys Rev Lett 81:1600

    Article  CAS  Google Scholar 

  28. Wales DJ, Hodges MP (1998) Chem Phys Lett 286:65

    Article  CAS  Google Scholar 

  29. Calvo F, Tran S, Blundell SA, Guet C, Spiegelmann F (2000) Phys Rev B 10394:62

    Google Scholar 

  30. Soler JM, Beltrán MR, Michaelian K, Garzón IL, Ordejón P, Sanchez-Portal D, Artacho E (2000) Phys Rev B 61:5771

    Article  CAS  Google Scholar 

  31. Hartke B (2002) Angew Chem Intl Ed 41:1468

    Article  CAS  Google Scholar 

  32. Paz-Borbón LO, Johnston RL, Barcaro G, Fortunelli A (2007) J Phys Chem C 111:2936

    Article  Google Scholar 

  33. Paz-Borbón LO, Johnston RL, Barcaro G, Fortunelli A (2008) J Chem Phys 128:134517

    Article  Google Scholar 

  34. Paola CD, Baletto F (2011) Phys Chem Chem Phys 13:7701

    Article  Google Scholar 

  35. Ferrando R, Fortunelli A, Johnston RL (2008) Phys Chem Chem Phys 10:640

    Article  CAS  Google Scholar 

  36. Barcaro G, Fortunelli A, Rossi G, Nita F, Ferrando R (2007) Phys Rev Lett 98:156101

    Article  CAS  Google Scholar 

  37. Ferrando R, Rossi G, Nita F, Barcaro G, Fortunelli A (2008) ACS Nano 2:1849

    Article  CAS  Google Scholar 

  38. Negreiros FR, Barcaro G, Kuntová Z, Rossi G, Ferrando R, Fortunelli A (2010) J Chem Phys 132:234703

    Article  Google Scholar 

  39. Barcaro G, Ferrando R, Fortunelli A, Rossi G (2010) J Phys Chem Lett 1:111

    Article  CAS  Google Scholar 

  40. Stillinger FH, Weber TA (1982) Phys Rev A 25:978

    Article  CAS  Google Scholar 

  41. Stillinger FH, Weber TA (1984) Science 225:983

    Article  CAS  Google Scholar 

  42. Stillinger FH (1999) Phys Rev E 59:48

    Article  CAS  Google Scholar 

  43. Rossi G, Ferrando R (2009) J Phys Cond Mat 9:084208

    Article  Google Scholar 

  44. Leary RH (2000) J Global Opt 18:367

    Article  Google Scholar 

  45. Jellinek J, Krissinel EB (1999) Theory of atomic and molecular clusters. Springer, Berlin

    Book  Google Scholar 

  46. Becker OM, Karplus M (1997) J Chem Phys 106:1495

    Article  CAS  Google Scholar 

  47. Doye JPK, Miller MA, Wales DJ (1999) J Chem Phys 110:6896

    Article  CAS  Google Scholar 

  48. Binggeli N, Martins JL, Chelikowsky JR (1992) Phys Rev Lett 68:2956

    Article  CAS  Google Scholar 

  49. Wales DJ, Scheraga HA (1999) Science 285:1368

    Article  CAS  Google Scholar 

  50. Hartke B (1993) J Chem Phys 97:9973

    Article  CAS  Google Scholar 

  51. Deaven DM, Ho KM (1995) Phys Rev Lett 75:288

    Article  CAS  Google Scholar 

  52. Johnston RL (2003) Dalton Trans. 4193

    Google Scholar 

  53. Goedecker S (2004) J Chem Phys 120:9911

    Article  CAS  Google Scholar 

  54. Wales DJ, Doye JPK (1997) J Phys Chem A 101:5111

    Article  CAS  Google Scholar 

  55. Sicher M, Mohr S, Goedecker S (2011) J Chem Phys 134:044106

    Article  Google Scholar 

  56. Rossi G, Ferrando R (2006) Chem Phys Lett 423:17

    Article  CAS  Google Scholar 

  57. Faken D, Jónsson H (1994) Comput Mater Sci 2:279

    Article  CAS  Google Scholar 

  58. Hansmann UHE, Wille LT (2002) Phys Rev Lett 88:068105

    Article  Google Scholar 

  59. Laio A, Parrinello M (2002) Proc Natl Acad Sci USA 99:12562

    Article  CAS  Google Scholar 

  60. Rossi G, Anghinolfi L, Ferrando R, Nita F, Barcaro G, Fortunelli A (2010) Phys Chem Chem Phys 12:8564

    Article  CAS  Google Scholar 

  61. Harris IA, Kidwell LS, Northby JA (1984) Phys Rev Lett 53:2390

    Article  CAS  Google Scholar 

  62. Ferrando R, Rossi G, Levi AC, Kuntová Z, Nita F, Barcaro G, Fortunelli A, Jelea A, Mottet C, Goniakowski J (2009) J Chem Phys 130:174702

    Article  Google Scholar 

  63. Ferrando R, Barcaro G, Fortunelli A (2009) Phys Rev Lett 102:216102

    Article  CAS  Google Scholar 

  64. Goniakowski J, Mottet C, Noguera C (2006) Phys Stat Sol B 243:2516

    Article  CAS  Google Scholar 

  65. Vervisch W, Mottet C, Goniakowski J (2002) Phys Rev B 65:245411

    Article  Google Scholar 

  66. Tian W, Sun HP, Pan XQ, Yu JH,Yeadon M, Boothroyd CB, Feng YP, Lukaszew RA, Clarke R (2005) Appl Phys Lett 86:131915

    Article  Google Scholar 

  67. Baletto F, Ferrando R, Fortunelli A, Montalenti F, Mottet C (2002) J Chem Phys 116:3856

    Article  CAS  Google Scholar 

  68. Wulff G (1901) Z Kristallogr 34:449

    CAS  Google Scholar 

  69. Henry CR (2005) Prog Surf Sci 80:92

    Article  CAS  Google Scholar 

  70. Robach O, Renaud G, Barbier A (1998) Phys Rev B 60:5858

    Article  Google Scholar 

  71. Revenant C, Renaud G, Lazzari R, Jupille J (2006) Nucl Instr Meth B 246:112

    Article  CAS  Google Scholar 

  72. Ferrando R, Barcaro G, Fortunelli A (2011) Phys Rev B 83:045418

    Article  Google Scholar 

  73. Pauwels B, Tendeloo GV, Bouwen W, Kuhn LT, Lievens P, Lei H, Hou M (2000) Phys Rev B 62:10383

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Dipartimento di Fisica dell’Università di Genova, via Dodecaneso 33, 16146, Genova, Italy

    Riccardo Ferrando

Authors
  1. Riccardo Ferrando
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Riccardo Ferrando .

Rights and permissions

Reprints and permissions

Copyright information

© 2013 Springer Science+Business Media New York

About this chapter

Cite this chapter

Ferrando, R. (2013). Global Optimization of Free and Supported Clusters. In: Metal Clusters and Nanoalloys. Nanostructure Science and Technology. Springer, New York, NY. https://doi.org/10.1007/978-1-4614-3643-0_6

Download citation

Publish with us

Policies and ethics

Search

Navigation