Adsorption of NO on MoO 3 (0 1 0) surface with different location of terminal oxygen vacancy defects: A density functional theory study

Applied Surface Science

Volumn 258, Issue 7, 2012, Pages 3163-3167

  Yan, Zhifeng ^a   Zuo, Zhijun ^a   Lv, Xueyong ^a   Li, Zhe ^a   Li, Zhen ^a   Huang, Wei ^a  

^a TAIYUAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Adsorption; Clusters; DFT; NO

Indexed keywords

ADSORPTION; BOND LENGTH; CHEMICAL ACTIVATION; DENSITY FUNCTIONAL THEORY; MOLYBDENUM OXIDE; NOBELIUM; SURFACE DEFECTS; VACANCIES;

ADSORPTION ABILITY; ADSORPTION OF NO; BOND ORDERING; CLUSTERS; DENSITY FUNCTIONAL THEORY STUDIES; NO ADSORPTION; OXYGEN VACANCY DEFECTS;

OXYGEN VACANCIES;

EID: 84855526407     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2011.11.056     Document Type: Article

References (50)

1. Y.H. Hu, and K. Griffiths Appl. Surf. Sci. 254 2008 1666 1675
2. Y.H. Hu, and K. Griffiths Appl. Surf. Sci. 254 2008 5048 5054
3. I. Giakoumelou, C. Fountzoula, C. Kordulis, and S. Boghosian J. Catal. 239 2006 1 12
4. F.S. Tang, B.L. Xu, H.H. Shi, J.H. Qiu, and Y.N. Fan Appl. Catal. B: Environ. 94 2010 71 76
5. I. Heo, Y. Lee, I.-S. Nam, J.W. Choung, J.-H. Lee, and H.-J. Kim Microporous Mesoporous Mater. 141 2011 8 15
6. A. Grossale, I. Nova, E. Tronconi, D. Chatterjee, and M. Weibel J. Catal. 256 2008 312 322
7. M. Rivallan, G. Ricchiardi, S. Bordiga, and A. Zecchina J. Catal. 264 2009 104 116
8. Z. Li, K.C. Xie, W. Huang, and W. Reschetilowski Stud. Surf. Sci. Catal. 158 2005 1741 1748
9. W. Liu, and Y.D. Xu Stud. Surf. Sci. Catal. 130 2000 3615 3620
10. X.P. Wang, S.S. Yu, H.L. Yang, and S.X. Zhang Appl. Catal. B 71 2007 246 253
11. Z. Li, W. Huang, and K.C. Xie Chin. J. Catal. 23 2002 535 538
12. Z. Li, H.R. Zhang, W. Huang, and K.C. Xie J. Mol. Catal. (China) 19 2005 104 108
13. J.S. Anderson, and R.J.D. Tilley M.W. Roberts, J.M. Thomas, Surface and Defect Properties of Solids vol. 3 1974 The Chemical Society London 1 56
14. G. Mestl, Ch. Linsmeier, R. Gottschall, M. Dieterle, J. Find, D. Herein, J. Jäger, Y. Uchida, and R. Schloögl J. Mol. Catal. A: Chem. 162 2000 463 492
15. P.L. Gai-Boyes Catal. Rev. Sci. Eng. 34 1992 1 54
16. A. Guerrero-Ruiz, I. Rodriguez-Ramos, J.L.G. Fierro, V. Soenen, J.M. Herrmann, and J.C. Volta New developments in selective oxidation by heterogeneous catalysis P. Ruiz, B. Delmon, Studies in Surface Science and Catalysis vol. 72 1992 Elsevier Science Publishers 203 212
17. N.N. Greenwood Ionic Crystal, Lattice Defects and Nonstoichiometry 1968 Butterworths London
18. C.A. Catlow O.T. Sorensen, Nonstoichiometric Oxides 1981 Academic Press New York
19. K. Brückman, R. Grabowski, J. Haber, A. Mazurkiewicz, J. Sloczynski, and T. Wiltowski J. Catal. 104 1987 71 79
20. R. Tokarz-Sobieraj, M. Witko, and R. Gryboś Catal. Today 99 2005 241 253
21. I.N. Remediakis, E. Kaxiras, M. Chen, and C.M. Friend J. Chem. Phys. 118 2003 6046 6051
22. A. Michalak, K. Hermann, and M. Witko Surf. Sci. 366 1996 323 336
23. K. Hermann, M. Witko, and A. Michalak Catal. Today 50 1999 567 577
24. L. Kihlborg Arkiv Kemi 21 1963 357 364
25. R. Coquet, and D.J. Willock Phys. Chem. Chem. Phys. 7 2005 3819 3828
26. M. Chen, C.M. Friend, and Efthimios Kaxiras J. Am. Chem. Soc. 123 2001 2224 2230
27. B. Delley J. Chem. Phys. 92 1990 508 517
28. B. Delley J. Chem. Phys. 113 2000 7756 7764
29. J.P. Perdew, and Y. Wang Phys. Rev. B 45 1992 13244 13249
30. R.S. Mulliken J. Chem. Phys. 23 1955 1833 1840
31. R.S. Mulliken J. Chem. Phys. 23 1955 1841 1846
32. R.S. Mulliken J. Chem. Phys. 23 1955 2338 2342
33. R.S. Mulliken J. Chem. Phys. 23 1955 2343 2346
34. I. Mayer Chem. Phys. Lett. 97 1983 270 274
35. I. Mayer J. Mol. Struct.: Theochem 149 1983 81 89
36. R. Tokarz-Sobieraj, K. Hermann, M. Witko, A. Blume, G. Mestl, and R. Schlögl Surf. Sci. 489 2001 107 125
37. D.R. Moberg, T.J. Thibodeau, F.G. Amar, and B.G. Frederick J. Phys. Chem. C 114 2010 13782 13795
38. K. Hermann, M. Witko, R. Druzinic, and R. Tokarz Top. Catal. 11/12 2000 67 75
39. K. Hermann, M. Witko, R. Druzinic, and R. Tokarz Appl. Phys. A 72 2001 429 442
40. D.A. Pan, C.D. Zhao, and Z.X. Zheng Structures of Matters second ed. 1989 Higher Education Press Beijing pp. 200-201
41. P. Geerlings, F. De Proft, and W. Langenaeker Chem. Rev. 103 2003 1793 1874
42. W. Yang, and W.J. Mortier J. Am. Chem. Soc. 108 1986 5708 5711
43. E. Florez, W. Tiznado, F. Mondragón, and P. Fuentealba J. Phys. Chem. A 109 2005 7815 7821
44. A. Poater, M. Duran, P. Toro-Labbé, A. Jaque, and M. Sol J. Phys. Chem. B 110 2006 6526 6536
45. H. Sekhar De, S. Krishnamurty, and S. Pal J. Phys. Chem. C 114 2010 6690 6703
46. T. Bredow, and G. Pacchioni Theor. Chim. Acta 114 2005 52 59
47. Z.M. Liu, L.L. Ma, and A.M. Junaid J. Phys. Chem. C 114 2010 4445 4450
48. R. Valero, J.R.B. Gomes, D.G. Truhlar, and F. Illas J. Chem. Phys. 132 2010 104701 104713
49. Z.X. Yang, T.K. Woo, and K. Hermansson Surf. Sci. 600 2006 4953 4960
50. D.R. Lide CRC Handbook of Chemistry and Physics 2000 CRC Press Boca Raton pp. 9-22