Structure and stability of the Si 4Li n (n = 1-7) binary clusters

Chemical Physics Letters

Volumn 522, Issue , 2012, Pages 67-71

  Osorio, Edison ^a   Villalobos, Valeria ^a   Santos, Juan C ^a   Donald, Kelling J ^c   Merino, Gabriel ^b,d,e   Tiznado, William ^a  

^a UNIVERSIDAD ANDRÉS BELLO   (Chile)

^b UNIVERSITY OF GUANAJUATO   (Mexico)

^c UNIVERSITY OF RICHMOND   (United States)

^d UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^e BASQUE FOUNDATION FOR SCIENCE   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BINARY CLUSTERS; CLOSED SHELLS; GLOBAL MINIMA; GLOBAL MINIMUM STRUCTURE; GROWTH PATTERNS; SHELL MODELS; STABLE CLUSTERS; VALENCE ELECTRON;

POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

SILICON;

EID: 84855504761     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.11.078     Document Type: Article

References (47)

1. Y. Kubota, M.C.S. Escano, H. Nakanishi, and H. Kasai J. Appl. Phys. 102 2007 53704
2. Y. Kubota, M.C.S. Escano, H. Nakanishi, and H. Kasai J. Alloys Compd. 458 2008 151
3. C.Y. Fong, L.H. Yang, and I.P. Batra Phys. Rev. B 40 1989 6120
4. G.S. Glander, and M.B. Webb Surf. Sci. 224 1989 60
5. R. Souda, W. Hayami, T. Aizawa, S. Otani, and Y. Ishizawa Phys. Rev. Lett. 69 1992 192
6. B.A. Boukamp, G.C. Lesh, and R.A. Huggins J. Electrochem. Soc. 128 1981 725
7. K. Kang Appl. Phys. Lett. 96 2010 53110
8. H. Kim, B. Han, J. Choo, and J. Cho Angew. Chem. Int. Ed. Engl. 47 2008 10151
9. H. Kim, M. Seo, M.H. Park, and J. Cho Angew. Chem. Int. Ed. Engl. 49 2009 2146
10. R.A. Sharma, and R.N. Seefurth J. Electrochem. Soc. 123 1976 1763
11. M. Winter, and J.O. Besenhard Electrochim. Acta 45 1999 31
12. R. Kishi, S. Iwata, A. Nakajima, and K. Kaya J. Chem. Phys. 107 1997 3056
13. R. Kishi, H. Kawamata, Y. Negishi, S. Iwata, A. Nakajima, and K. Kaya J. Chem. Phys. 107 1997 10029
14. W. Tiznado, N. Perez-Peralta, R. Islas, A. Toro-Labbe, J.M. Ugalde, and G. Merino J. Am. Chem. Soc. 131 2009 9426
15. A. Kuhn, P. Sreeraj, R. Pöttgen, H.-D. Wiemhöfer, M. Wilkening, and P. Heitjans Angew. Chem. Int. Ed. 2011 12099
16. J.C. Santos, and P. Fuentealba Chem. Phys. Lett. 443 2007 439
17. A.D. Zdetsis, P.W. Fowler, and R.W.A. Havenith Mol. Phys. 106 2008 1803
18. J.C. Santos, M. Contreras, and G. Merino Chem. Phys. Lett. 496 2010 172
19. N. Perez-Peralta, and A.I. Boldyrev J. Phys. Chem. A 115 2011 11551
20. W.D. Knight, K. Clemenger, W.A. de Heer, W.A. Saunders, M.Y. Chou, and M.L. Cohen Phys. Rev. Lett. 52 1984 2141
21. M. Brack Rev. Mod. Phys. 65 1993 677
22. W.A. Deheer Rev. Mod. Phys. 65 1993 611
23. A.N. Alexandrova, and A.I. Boldyrev J. Chem. Theory Comput. 1 2005 566
24. A.N. Alexandrova, A.I. Boldyrev, Y.J. Fu, X. Yang, X.B. Wang, and L.S. Wang J. Chem. Phys. 121 2004 5709
25. A.D. Becke Phys. Rev. A 38 1988 3098
26. C.T. Lee, W.T. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
27. P. Fuentealba, H. Preuss, H. Stoll, and L. von Szentpály Chem. Phys. Lett. 89 1982 418
28. P. Fuentealba, L. von Szentpály, H. Preuss, and H. Stoll J. Phys. B 18 1985 1287
29. F. Weigend, and R. Ahlrichs Phys. Chem. Chem. Phys. 7 2005 3297
30. J.A. Pople, M. Head-Gordon, and K. Raghavachari J. Chem. Phys. 87 1987 5968
31. A.E. Reed, R.B. Weinstock, and F. Weinhold J. Chem. Phys. 83 1985 735
32. M.J. Frisch Gaussian 03, Revision E.01 2004 Gaussian, Inc. Wallingford CT
33. P. Geerlings, F. De Proft, and W. Langenaeker Chem. Rev. 103 2003 1793
34. R.G. Pearson Acc. Chem. Res. 26 1993 250
35. T. Holtzl, P. Lievens, T. Veszpremi, and T.N. Minh J. Phys. Chem. C 113 2009 21016
36. E. Janssens, S. Neukermans, and P. Lievens Curr. Opinion Solid State Mater. Sci. 8 2004 185
37. S. Neukermans, E. Janssens, Z.F. Chen, R.E. Silverans, P.v. Schleyer, and P. Lievens Phys. Rev. Lett. 92 2004
38. C. Yeretzian J. Phys. Chem. 99 1995 123
39. C. Sporea, F. Rabilloud, and M. Aubert-Frecon J. Mol. Struct. - Theochem 802 2007 85
40. C. Sporea, F. Rabilloud, X. Cosson, A.R. Allouche, and M. Aubert-Frecon J. Phys. Chem. A 110 2006 6032
41. H. Wang, W.C. Lu, Z.S. Li, and C.C. Sun J. Mol. Struct. - Theochem 730 2005 263
42. J.C. Yang, L.H. Lin, Y.S. Zhang, and A.F. Jalbout Theor. Chem. Acc. 121 2008 83
43. H.J. Zhai, A.E. Kuznetsov, A.I. Boldyrev, and L.S. Wang Chem. Phys. Chem. 5 2004 1885
44. A. Savin, K. Vogel, H. Preuss, H. Stoll, R. Nesper, and H.G. von Schnering J. Am. Chem. Soc. 110 1988 373
45. B.H. Boo, S.-J. Kim, M.H. Lee, and N. Nishi Chem. Phys. Lett. 453 2008 150
46. T.F. Schaaf, W. Butler, M.D. Glick, and J.P. Oliver J. Am. Chem. Soc. 96 1974 7593
47. K. Raghavachari, and V. Logovinsky Phys. Rev. Lett. 55 1985 2853