DFT+U study on the oxygen adsorption and dissociation on CeO 2 -supported platinum cluster

Applied Surface Science

Volumn 288, Issue , 2014, Pages 244-250

  Nguyen, Tien Quang ^a   Escaño, Mary Clare Sison ^a   Nakanishi, Hiroshi ^a   Kasai, Hideaki ^a   Maekawa, Hiroyoshi ^b   Osumi, Kazuo ^b   Sato, Kaoru ^b  

^a OSAKA UNIVERSITY   (Japan)

^b ISUZU ADVANCED ENGINEERING CENTER   (Japan)

Author keywords

Adsorption; Ceria; Cluster; Dissociation; Oxygen; Platinum

Indexed keywords

ADSORPTION; BINARY ALLOYS; BOND LENGTH; CERIUM COMPOUNDS; CERIUM OXIDE; DENSITY FUNCTIONAL THEORY; DISSOCIATION; GAS ADSORPTION; OXYGEN; SINTERING;

CHARGE REDISTRIBUTION; CLUSTER; ELECTRON TRANSFER; INTERACTION CORRECTIONS; OXYGEN ADSORPTION; PLATINUM CLUSTERS; SUPPORTED CLUSTERS; TRANSITION STATE;

PLATINUM;

EID: 84888432089     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2013.10.015     Document Type: Article

References (61)

1. K.C. Taylor Catal. Rev.-Sci. Eng. 35 1993 457
2. M. Shelef, and G.W. Graham Catal. Rev.-Sci. Eng. 36 1994 433
3. D.R. Rainer, M. Koranne, S.M. Vesecky, and D.W. Goodman J. Phys. Chem. B 101 1997 10769
4. S.S.C. Chuang, and C.D. Tan Catal. Today 35 1997 369
5. H.C. Yao, and Y.F. Yu-Yao J. Catal. 86 1984 254
6. A. Trovarelli Catal. Rev.-Sci. Eng. 38 1996 439
7. J. Kaspar, P. Fornasiero, and M. Graziani Catal. Today 50 1999 285
8. E.C. Su, and W.G. Rothschild J. Catal. 99 1984 506
9. L.L. Murrell, S.J. Tauster, and D.R. Anderson Stud. Surf. Sci. Catal. 71 2001 275
10. A.F. Diwell, R.R. Rajaram, H.A. Shaw, and T.J. Truex Stud. Surf. Sci. Catal. 71 2001 139
11. H. Shinjoh, M. Hatanaka, Y. Nagai, T. Tanabe, N. Takahashi, T. Yoshida, and Y. Miyake Top. Catal. 52 2009 1967
12. M. Ozawa, M. Kimura, and A. Isogai J. Alloys Compd. 193 1993 73
13. T.Q. Nguyen, M.C.S. Escano, N. Shimoji, H. Nakanishi, and H. Kasai Phys. Rev. B 77 2008 195307
14. M.C.S. Escano, H. Nakanishi, and H. Kasai J. Phys. Chem. A 113 2009 14302
15. M.C.S. Escano, T.Q. Nguyen, H. Nakanishi, and H. Kasai Surf. Sci. 602 2008 3415
16. B. Yoon, H. Hakkinen, and U. Landman J. Phys. Chem. A 107 2003 4066
17. T. Halachev, and E. Ruckenstein J. Mol. Catal. 16 1982 149
18. Y. Jiang, J.B. Adams, and M.V. Schilfgaarde J. Chem. Phys. 123 2005 0640701
19. T.X.T. Sayle, S.C. Parker, and C.R.A. Catlow Surf. Sci. 316 1994 329
20. H. Nörenberg, and J.H. Harding Surf. Sci. 477 2011 17
21. Y. Nagai, T. Hirabayashi, K. Dohmae, N. Takagi, T. Minami, H. Shinjoh, and S. Matsumoto J. Catal. 242 2006 103
22. T. Li, and P.B. Balbuena J. Phys. Chem. B 105 2001 9943
23. D. Dai, and K. Balasubramanian J. Chem. Phys. 103 1995 648
24. O. Pozdnyakova, D. Teschner, A. Wootsch, J. Krohnert, B. Steinhauer, H. Sauer, L. Toth, F.C. Jentoft, A. Knop-Gericke, Z. Paal, and R. Schlogl J. Catal. 237 2006 1
25. G. Kresse, and J. Hafner Phys. Rev. B 47 1993 558
26. G. Kresse, and J. Furthmuller Phys. Rev. B 54 1996 111169
27. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev Lett. 77 1996 3865
28. G. Kresse, and J. Joubert Phys. Rev. B 59 1999 1758
29. P.E. Blochl Phys. Rev. B 50 1994 17953
30. H.H. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
31. S.L. Dudarev, G.A. Botton, S.Y. Savrasov, C.J. Humphreys, and A.P. Sutton Phys. Rev. B 57 1998 1505
32. Y.L. Lee, J. Kleis, J. Rossmeisl, and D. Morgan Phys. Rev. B 80 2009 224101
33. M. Nolan, S. Grigoleit, D.C. Sayle, and S.C. Parker Surf. Sci. 576 2005 217
34. S. Lany, and A. Zunger Phys. Rev. B 80 2009 085202
35. B.J. Morgan, and G.W. Watson Phys. Rev. B 80 2009 233102
36. M. Nolan, and G.W. Watson J. Chem. Phys. 125 2006 144701
37. D.O. Sanlon, A. Walsh, B.J. Mogan, M. Nolan, J. Fearon, and G.W. Watson J. Phys. Chem. C 111 2007 7971
38. B.J. Morgan, and G.W. Watson J. Phys. Chem. C 114 2010 2321
39. J.J. Plata, A.M. Marquez, and J.F. Sanz J. Chem. Phys. 136 2012 041101
40. E.A. Kummerle, and G. Heger J. Solid State Chem. 147 1999 485
41. J. Schmidt, Ch. Stuhlmann, and H. Ibach Surf. Sci. 284 1993 121
42. C. Jung, H. Tsuboi, M. Koyama, M. Kubo, E. Broclawik, and A. Miyamoto Catal. Today 111 2006 322
43. G. Henkelman, B.P. Uberuaga, and H. Jonsson J. Chem. Phys. 113 2000 9901
44. G. Henkelman, and H. Jonsson J. Chem. Phys. 113 2000 9978
45. P. Pulay Chem. Phys. Lett. 73 1980 393
46. R. Bader Atoms in Molecules: A Quantum Theory 1990 Oxford University Press New York
47. G. Henkelman, A. Arnaldsson, and H. Jonsson Comput. Mater. Sci. 36 2006 354
48. E. Sanville, S.D. Kenny, R. Smith, and G. Henkelman J. Comput. Chem. 28 2007 899
49. M.R. Hestenes, and E. Stiefel J. Res. Natl. Bur. Stand. 49 1952 2379
50. Z. Lu, and Z. Yang J. Phys.: Condens. Matter 22 2010 475003
51. C.H. Bartholomew Appl. Catal. A 212 2001 17
52. H. Birgersson, L. Eriksson, M. Boutonnet, and S.G. Jaras Appl. Catal. B 54 2004 193
53. C. Jung, R. Ishimoto, H. Tsuboi, M. Koyama, A. Endou, M. Kubo, C.A.D. Carpio, and A. Miyamoto Appl. Catal. A: Gen. 305 2006 102
54. M. Alfredsson, and C.R.A. Catlow Phys. Chem. Chem. Phys. 4 2002 6100
55. P.B. Balbuena, D. Altomare, L. Agapito, and J.M. Seminario J. Phys. Chem. B 107 2003 13671
56. L. Qi, X. Quian, and J. Li Phys. Rev. Lett. 101 2008 146101
57. H. Steininger, S. Lehwald, and H. Ibach Surf. Sci. 123 1982 1
58. D.A. Outka, J. Stohr, W. Jark, P. Stevens, J. Solomon, and R.J. Madix Phys. Rev. B 35 1987 4119
59. J.L. Gland, B.A. Sexton, and G.B. Fisher Surf. Sci. 95 1980 587
60. A. Weber, and E.A. McGinnis J. Mol. Spectrosc. 4 1960 195
61. F. Oemry, M.C. Escano, H. Kishi, S. Kunikata, H. Nakanishi, H. Kasai, H. Maekawa, K. Osumi, and Y. Tashiro J. Nanosci. Nanotechnol. 11 2011 2844