Deposition of (WO3)3 nanoclusters on the MgO(001) surface: A possible way to identify the charge states of the defect centers

Journal of Chemical Physics

Volumn 138, Issue 3, 2013, Pages

  Zhu, Jia ^a   Lin, Shujuan ^a   Wen, Xingwei ^a   Fang, Zhenxing ^a   Li, Yi ^a   Zhang, Yongfan ^a,b   Huang, Xin ^a,b   Ning, Lixin ^c   Ding, Kaining ^a   Chen, Wenkai ^a  

^a FUZHOU UNIVERSITY   (China)

^b Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry   (China)

^c ANHUI NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE STATE; DEFECT CENTERS; ELECTRON-DEFICIENT; MGO (001) SURFACE; OXIDATION STATE; PERIODIC DENSITY FUNCTIONAL THEORY CALCULATIONS; STABLE STRUCTURES; X RAY PHOTOELECTRON SPECTRA;

DEPOSITS; NANOCLUSTERS; SCANNING TUNNELING MICROSCOPY; X RAY PHOTOELECTRON SPECTROSCOPY;

SURFACE DEFECTS;

EID: 84872822636     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4776219     Document Type: Article

References (61)

1. M. Fernández-García, A. Martínez-Arias, J. C. Hanson, and J. A. Rodriguez, Chem. Rev. 104, 4063 (2004). 10.1021/cr030032f
2. M. Chiesa, M. C. Paganini, E. Giamello, D. M. Hurphy, C. Di Valentin, and G. Pacchioni, Acc. Chem. Res. 39, 861 (2006). 10.1021/ar068144r
3. H.-J. Freund, Chem. Eur. J. 16, 9384 (2010). 10.1002/chem.201001724
4. M. Chiesa, M. C. Paganini, E. Giamello, C. Di Valentin, and G. Pacchioni, Angew. Chem. Int. Ed. 42, 1759 (2003). 10.1002/anie.200250811
5. M. Sterrer, E. Fischbach, T. Risse, and H.-J. Freund, Phys. Rev. Lett. 94, 186101 (2005). 10.1103/PhysRevLett.94.186101
6. D. Ricci, G. Pacchioni, P. V. Sushko, and A. L. Shluger, J. Chem. Phys. 117, 2844 (2002). 10.1063/1.1491405
7. K. M. Neyman, C. Inntam, A. V. Matveev, V. A. Nasluzov, and N. Rösch, J. Am. Chem. Soc. 127, 11652 (2005). 10.1021/ja052437i
8. Z. Yan, S. Chinta, A. A. Mohamed, J. P. Fackler, and D. W. Goodman, J. Am. Chem. Soc. 127, 1604 (2005). 10.1021/ja043652m
9. G. Pacchioni, S. Sicolo, C. Di Valentin, M. Chiesa, and E. Giamello, J. Am. Chem. Soc. 130, 8690 (2008). 10.1021/ja710969t
10. X. Lin, B. Yang, H. M. Benia, P. Myrach, M. Yulikov, A. Aumer, M. Brown, M. Sterrer, O. Bondarchuk, E. Kieseritzky, J. Rocker, T. Risse, H. Gao, N. Nilius, and H.-J. Freund, J. Am. Chem. Soc. 132, 7745 (2010). 10.1021/ja101188x
11. J. Jung, H.-J. Shin, Y. Kim, and M. Kawai, J. Am. Chem. Soc. 133, 6142 (2011). 10.1021/ja200854g
12. B. Yoon, H. Häkkinen, U. Landman, A. S. Wörz, J.-M. Antonietti, S. Abbet, K. Judai, and U. Heiz, Science 307, 403 (2005). 10.1126/science. 1104168
13. C. Di Valentin, K. M. Neyman, T. Risse, M. Sterrer, E. Fischbach, H.-J. Freund, V. A. Nasluzov, G. Pacchioni, and N. Rosch, J. Chem. Phys. 124, 044708 (2006). 10.1063/1.2161190
14. M. Sterrer, E. Fischbach, M. Heyde, N. Nilius, H.-P. Rust, T. Risse, and H.-J. Freund, J. Phys. Chem. B 110, 8665 (2006). 10.1021/jp060546t
15. M. Sterrer, M. Heyde, M. Novicki, N. Nilius, T. Risse, H.-P. Rust, G. Pacchioni, and H.-J. Freund, J. Phys. Chem. B 110, 46 (2006). 10.1021/jp056306f
16. T. König, G. H. Simon, H. P. Rust, G. Pacchioni, M. Heyde, and H.-J. Freund, J. Am. Chem. Soc. 131, 17544 (2009). 10.1021/ja908049n
17. T. König, G. H. Simon, U. Martinez, L. Giordano, G. Pacchioni, M. Heyde, and H.-J. Freund, ACS Nano 4, 2510 (2010). 10.1021/nn100443n
18. Y. Chen, V. M. Orera, R. Gonzalez, R. T. Williams, G. P. Williams, G. H. Rosenblatt, and G. J. Pogatshnik, Phys. Rev. B 42, 1410 (1990). 10.1103/PhysRevB.42.1410
19. F. Illas and G. Pacchioni, J. Chem. Phys. 108, 7835 (1998). 10.1063/1.476220
20. P. Rinke, A. Schleife, E. Kioupakis, A. Janotti, C. Rodl, F. Bechstedt, M. Scheffler, and C. G. Van de Walle, Phys. Rev. Lett. 108, 126404 (2012). 10.1103/PhysRevLett.108.126404
21. S. Maleknia, J. Brodbelt, and K. Pope, J. Am. Soc. Mass Spectrom. 2, 212 (1991). 10.1016/1044-0305(91)80046-A
22. X. Huang, H.-J. Zhai, B. Kiran, and L.-S. Wang, Angew. Chem. Int. Ed. 44, 7251 (2005). 10.1002/anie.200502678
23. J. Zhu, L. Giordano, S. J. Lin, Z. X. Fang, Y. Li, X. Huang, Y. F. Zhang, and G. Pacchioni, J. Phys. Chem. C 116, 17668 (2012). 10.1021/jp3051609
24. O. Bondarchuk, X. Huang, J. Kim, B. D. Kay, L. S. Wang, J. M. White, and Z. Dohnálek, Z. Angew. Chem. Int. Ed. 45, 4786 (2006). 10.1002/anie.200600837
25. Y. K. Kim, R. Rousseau, B. D. Kay, J. M. White, and Z. Dohnálek, J. Am. Chem. Soc. 130, 5059 (2008). 10.1021/ja800730g
26. Z. Li, Z. Zhang, Y. K. Kim, R. S. Smith, F. P. Netzer, B. D. Kay, R. Rousseau, and Z. Dohnálek, J. Phys. Chem. C 115, 5773 (2011). 10.1021/jp1108976
27. M. Wagner, S. Surnev, M. G. Ramsey, G. Barcaro, L. Sementa, F. R. Negreiros, A. Fortunelli, Z. Dohnálek, and F. P. Netzer, J. Phys. Chem. C 115, 23480 (2011). 10.1021/jp208207e
28. S.-C. Li, Z. Li, Z. Zhang, B. D. Kay, R. Rousseau, and Z. Dohnálek, J. Phys. Chem. C 116, 908 (2012). 10.1021/jp2093324
29. G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993). 10.1103/PhysRevB.47.558
30. G. Kresse and J. Furthmuller, Phys. Rev. B 54, 11169 (1996). 10.1103/PhysRevB.54.11169
31. G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996). 10.1016/0927-0256(96)00008-0
32. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990). 10.1103/PhysRevB.41.7892
33. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992). 10.1103/PhysRevB.46. 6671
34. M. Ménétrey, A. Markovits, C. Minot, A. D. Vitto, and G. Pacchioni, Surf. Sci. 549, 294 (2004). 10.1016/j.susc.2003.12.008
35. M. Ménétrey, A. Markovits, and C. Minot, Chem. Phys. Lett. 391, 120 (2004). 10.1016/j.cplett.2004.04.090
36. Nanoscience and Technology: Nanocatalysis, edited by, U. Heiz, and, U. Landman, (Springer, Berlin, 2008).
37. U. Martinez, G. Pacchioni, and F. Illas, J. Chem. Phys. 130, 184711 (2009). 10.1063/1.3132768
38. L. B. Vilhelmsen and B. Hammer, Phys. Rev. Lett. 108, 126101 (2012). 10.1103/PhysRevLett.108.126101
39. A. Del Vitto, C. Sousa, F. Illas, and G. Pacchioni, J. Chem. Phys. 121, 7457 (2004). 10.1063/1.1796311
40. S. Nosé, J. Chem. Phys. 81, 511 (1984). 10.1063/1.447334
41. J. Zhu, H. Jin, W. J. Chen, Y. Li, Y. F. Zhang, L. X. Ning, X. Huang, K. N. Ding, and W. K. Chen, J. Phys. Chem. C 113, 17509 (2009). 10.1021/jp906194t
42. J. Zhu, H. Jin, L. L. Zang, Y. Li, Y. F. Zhang, K. N. Ding, X. Huang, L. X. Ning, and W. K. Chen, J. Phys. Chem. C 115, 15335 (2011). 10.1021/jp201094a
43. W. Olovsson, C. Göransson, L. V. Pourovskii, B. Johansson, and I. Abrikosov, Phys. Rev. B 72, 064203 (2005). 10.1103/PhysRevB.72.064203
44. W. Olovsson, T. Marten, E. Holmstrom, B. Johansson, and I. Abrikosov, J. Electron Spectrosc. Relat. Phenom. 178-179, 88 (2010). 10.1016/j.elspec.2009.10. 007
45. J. Tersoff and D. R. Hamann, Phys. Rev. B 31, 805 (1985). 10.1103/PhysRevB.31.805
46. J. Bardeen, Phys. Rev. Lett. 6, 57 (1961). 10.1103/PhysRevLett.6.57
47. W. A. Hofer, A. J. Fisher, G. P. Lopinski, and R. A. Wolkow, Phys. Rev. B 63, 085314 (2001). 10.1103/PhysRevB.63.085314
48. + defect center.
49. M. Sterrer, T. Risse, and H.-J. Freund, Appl. Catal. A 307, 58 (2006). 10.1016/j.apcata.2006.03.007
50. R. Wichtendahl, M. Rodriguez-Rodrigo, U. Härtel, H. Kuhlenbeck, and H.-J. Freund, Surf. Sci. 423, 90 (1999). 10.1016/S0039-6028(98)00915-7
51. Adsorption on Ordered Surfaces of Ionic Solids and Thin Films, edited by, H.-J. Freund, and, E. Umbach, (Springer, Berlin, 1993).
52. L. Giordano, J. Goniakowski, and G. Pacchioni, Phys. Rev. B 67, 045410 (2003). 10.1103/PhysRevB.67.045410
53. X. Huang, H. J. Zhai, J. Li, and L. S. Wang, J. Phys. Chem. A 110, 85 (2006). 10.1021/jp055325m
54. C. Di Valentin, M. Rosa, and G. Pacchioni, J. Am. Chem. Soc. 134, 14086 (2012). 10.1021/ja304661g
55. J. Kim, O. Bondarchuk, B. D. Kay, J. M. White, and Z. Dohnálek, Catal. Today 120, 186 (2007). 10.1016/j.cattod.2006.07.050
56. X. Lin, N. Nilius, H.-J. Freund, M. Walter, P. Frondelius, K. Honkala, and H. Häkkinen, Phys. Rev. Lett. 102, 206801 (2009). 10.1103/PhysRevLett. 102.206801
57. N. Nilius, Surf. Sci. Rep. 64, 595 (2009). 10.1016/j.surfrep.2009.07.004
58. W. A. Hofer, Prog. Surf. Sci. 71, 147 (2003). 10.1016/S0079-6816(03) 00005-4
59. P. Sautet, J. C. Dunphy, D. F. Ogletree, C. Joachim, and M. Salmeron, Surf. Sci. 315, 127 (1994). 10.1016/0039-6028(94)90549-5
60. L. Giordano and G. Pacchioni, Acc. Chem. Res. 44, 1244 (2011). 10.1021/ar200139y
61. M. Preuss and F. Bechstedt, Phys. Rev. B 73, 155413 (2006). 10.1103/PhysRevB.73.155413