Theoretical study of CO adsorption on yttrium-doped gold clusters Au nY (n = 1-9)

Chemical Physics Letters

Volumn 498, Issue 4-6, 2010, Pages 296-301

  Lin, Ling ^a   Lievens, Peter ^b   Nguyen, Minh Tho ^a,c  

^a UNIVERSITY OF LEUVEN   (Belgium)

^b KU LEUVEN   (Belgium)

^c INSTITUTE FOR COMPUTATIONAL SCIENCE AND TECHNOLOGY   (Viet Nam)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER SIZES; CO ADSORPTION; CO COMPLEXES; DEGREE OF CHARGE TRANSFER; ELECTRON ACCEPTOR; GOLD ATOMS; GOLD CLUSTERS; THEORETICAL STUDY; VIBRATIONAL FREQUENCIES; Y-DOPED;

ADSORPTION; BINDING SITES; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; GOLD; ION EXCHANGE; YTTRIUM; YTTRIUM ALLOYS;

GOLD COMPOUNDS;

EID: 77957316882     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.08.068     Document Type: Article

References (45)

1. A. Sanchez, S. Abbet, U. Heiz, W.D. Schneider, H. Haekkinen, R.N. Barnett, and U. Landman J. Phys. Chem. A 103 1999 9573
2. M. Haruta, N. Yamada, T. Kobayashi, and S. Ijima J. Catal. 115 1989 301
3. G. Blyholder J. Phys. Chem. B 68 1964 2772
4. N. Veldeman, P. Lievens, and M. Andersson J. Phys. Chem. A 109 2005 11793
5. W.T. Wallace, and R.L. Whetten J. Am. Chem. Soc. 124 2002 7499
6. W.T. Wallace, and R.L. Whetten J. Phys. Chem. B 104 2000 10964
7. J. Hagen, L.D. Socaciu, U. Heiz, T.M. Bernhardt, and L. Wöste Eur. J. Phys. D 24 2003 327
8. T.M. Bernhardt, J. Hagen, S.M. Lang, D.M. Popolan, L.D. Socaciu-Siebert, and L. Woste J. Phys. Chem. A 113 2009 2724
9. M. Neumaier, F. Weigend, O. Hampe, and M.M. Kappes J. Chem. Phys. 125 2006 104702
10. T. Davran-Candan, M.E. Günay, and R. Yildirim J. Chem. Phys. 132 2010 174113
11. X. Wu, L. Senapati, S.K. Nayak, A. Selloni, and M. Hajaligol J. Chem. Phys. 117 2002 4010
12. H.J. Zhai, and L.S. Wang J. Chem. Phys. 122 2005 051101
13. N.S. Phala, G. Klatt, and E. van Steen Chem. Phys. Lett. 395 2004 33
14. E.M. Fernández, P. Ordejón, and L.C. Balbás Chem. Phys. Lett. 408 2005 252
15. Y.-L. Wang, H.-J. Zhai, L. Xu, J. Li, and L.-S. Wang J. Phys. Chem. A 114 2010 1247
16. L. Jiang, and Q. Xu J. Phys. Chem. A 109 2005 1026
17. D.W. Yuan, and Z. Zeng J. Chem. Phys. 120 2004 6574
18. A. Fielicke, G. von Helden, G. Meijer, B. Simard, and D.M. Rayner J. Phys. Chem. B 109 2005 23935
19. A. Fielicke, G. von Helden, G. Meijer, D.B. Pedersen, B. Simard, and D.M. Rayner J. Am. Chem. Soc. 127 2005 8416
20. N.K. Jena, K.R.S. Chandrakumar, and S.K. Ghosh J. Phys. Chem. C 113 2009 17885
21. C. Song, Q. Ge, and L. Wang J. Phys. Chem. B 109 2005 22341
22. M.M. Sadek, and L. Wang J. Phys. Chem. A 110 2006 14036
23. W.Q. Tian, M. Ge, F. Gu, T. Yamada, and Y. Aoki J. Phys. Chem. A 110 2006 6285
24. A.M. Joshi, M.H. Tucker, W.N. Delgass, and K.T. Thomson J. Chem. Phys. 125 2006 194707
25. Y. Zhao, Z. Li, and J. Yang Phys. Chem. Chem. Phys. 11 2009 2329
26. M. Neumaier, F. Weigend, O. Hampe, and M.M. Kappes J. Chem. Phys. 125 2006 104308
27. M. Neumaier, F. Weigend, O. Hampe, and M.M. Kappes Faraday Discuss. 138 2008 393
28. C. Elschenbroich, and A. Salzer Organometallics 1989 VCH Weinheim, Germany
29. L. Lian, P.A. Hackett, and D.M. Rayner J. Chem. Phys. 99 1993 2583
30. H.M. Lee, M. Ge, B.R. Sahu, P. Tarakeshwar, and K.S. Kim J. Phys. Chem. B 107 2003 9994
31. Y. Fu, J. Li, and S.-G. Wang J. Mol. Model. 16 2010 9
32. M.P. Johansson, and P. Pyykkö Chem. Commun. 46 2010 3762
33. L. Lin, P. Gruene, P. Claes, G. Meijer, A. Fielicke, P. Lievens, and M.T. Nguyen ChemPhysChem 9 2008 2431
34. L. Lin, P. Claes, P. Gruene, G. Meijer, A. Fielicke, M.T. Nguyen, and P. Lievens ChemPhysChem 11 2010 1932
35. A.D. Becke Phys. Rev. A 38 1988 3098
36. J.P. Perdew Phys. Rev. B 33 1986 8822
37. M.J. Frisch Gaussian03, Revision C.02 2004 Gaussian Inc. Wallingford, CT
38. K.A. Peterson, and C. Puzzarini Theor. Chem. Acc. 114 2005 283
39. K.A. Peterson, D. Figgen, M. Dolg, and H. Stoll J. Chem. Phys. 126 2007 124101
40. T.H. Dunning Jr. J. Chem. Phys. 90 1989 1007
41. E.D. Glendening, J.K. Badenhoop, A.E. Reed, J.E. Carpenter, J.A. Bohmann, C.M. Morales, and F. Weinhold NBO 5.G 2001 Theoretical Chemistry Institute University of Wisconsin, Madison, WI
42. X.B. Li, H.Y. Wang, X.D. Yang, Z.H. Zhu, and Y.J. Tang J. Chem. Phys. 126 2007 084505
43. E.M. Fernández, J.M. Soler, I.L. Garzón, and L.C. Balbás Phys. Rev. B 70 2004 165403
44. P. Gruene, D.M. Rayner, B. Redlich, A.F.G. van der Meer, J.T. Lyon, G. Meijer, and A. Fielicke Science 321 2008 674
45. L. Holmgren, H. Grönbeck, M. Andersson, and A. Rosén Phys. Rev. B 53 1996 16644