A comparative study of hydrogen spillover on Pd and Pt decorated MoO 3(010) surfaces from first principles

Journal of Physical Chemistry C

Volumn 114, Issue 7, 2010, Pages 3052-3058

  Li, Baihai ^a,b   Yim, Wai Leung ^c   Zhang, Qiuju ^a   Chen, Liang ^a  

^a INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

^b UNIVERSITY OF MICHIGAN   (United States)

^c INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; CATALYTIC ACTIVITY; COMPARATIVE STUDIES; DIFFUSION PATHWAYS; FIRST-PRINCIPLES; HYDROGEN ATOMS; HYDROGEN CHEMISORPTION; HYDROGEN DISSOCIATION; HYDROGEN SPILLOVER; OXYGEN ATOM; PD ATOMS; PD CLUSTERS; PERIODIC DENSITY; PT CLUSTERS; STRONG METAL-SUPPORT INTERACTION; SUPPORTED PT; SURFACE OXYGEN;

ACTIVATION ENERGY; ATOMS; BINDING ENERGY; BINDING SITES; BIOCHEMISTRY; CATALYST ACTIVITY; CHEMISORPTION; DIFFUSION; ELECTROCHEMICAL SENSORS; HYDROGEN; OXYGEN; PALLADIUM; PLATINUM;

PLATINUM COMPOUNDS;

EID: 77649140787     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp9098396     Document Type: Article

References (49)

1. Braida, B.; Adams, S.; Canadell, E. Chem. Mater. 2005, 17, 5957.
2. Sakagami, H.; Asano, Y.; Takahashi, N.; Matsuda, T. Appl. Catal., A 2005, 284, 12.
3. Sakagami, H.; Ohno, T.; Takahashi, N.; Matsuda, T. J. Catal. 2006, 241, 296.
4. Matsuda, T.; Uozumi, S.; Takahashi, N. Phys. Chem. Chem. Phys. 2004, 6, 665.
5. Noh, H.; Wang, D.; Luo, S.; Flanagan, T. B.; Balasubramaniam, R.; Sakamoto, Y. J. Phys. Chem. B 2004, 108, 310.
6. Rousseau, R.; Canadell, E.; Alemany, P.; Galvan, H.; Hoffmann, R. Inorg. Chem. 1997, 36, 4627.
7. Hoang-Van, C.; Zegaoui, O. Appl. Catal., A 1997, 164, 91.
8. Schollhorn, R.; Kuhlmann, R.; Resenhard, J. O. Mater. Res. Bull. 1976, 11, 83.
9. Smith, R. L.; Rohrere, G. S. J. Catal. 1996, 163, 12.
10. Smith, R. L.; Rohrere, G. S. J. Catal. 1998, 173, 219.
11. Khoobiar, S. J. J. Phys. Chem. 1964, 68, 411.
12. Kim, J. G.; Regalbuto, J. R. J. Catal. 1993, 139, 153.
13. Wang, L. F.; Yang, R. T. J. Phys. Chem. C 2008, 112, 12486.
14. Chen, L.; Cooper, A.; Pez, G.; Cheng, H. J. Phys. Chem. C 2007, 111, 18995.
15. Li, Y. W.; Yang, R. T. J. Am. Chem. Soc. 2006, 128, 726.
16. Lueking, A. D.; Yang, R. T.; Rodriguez, N. M.; Baker, R. T. K. Langmuir 2004, 20, 714.
17. Lachwiec, A. J.; Qi, G. S.; Yang, R. T. Langmuir 2005, 21, 11418.
18. Chen, M.; Friend, C. M.; Kaxiras, E. J. Chem. Phys. 1998, 109, 6854.
19. Mehandru, S. P.; Anderson, A. B. J. Am. Chem. Soc. 1988, 110, 2061.
20. Adams, S. J. Solid State Chem. 2000, 149, 75.
21. Chen, M.; Friend, C. M.; Kaxiras, E. J. Am. Chem. Soc. 2001, 123, 2224.
22. Zeng, H. C.; Ng, W. K.; Cheong, L. H.; Xie, F.; Xu, R. J. Phys. Chem. B 2001, 105, 7178.
23. Chen, L.; Cooper, A.; Pez, G.; Cheng, H. J. Phys. Chem. C 2008, 112, 1755.
24. Kresse, G.; Hafner, J. Phys. Rev. B 1993, 48, 13115.
25. Kresse, G.; Furthmuller, J. Comput. Mater. Sci. 1996, 6, 15.
26. Perdew, J. P.; Chevary, J. A.; Vosco, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys. Rev. B 1992, 46, 6671.
27. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892.
28. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1976, 13, 5188.
29. Methfessel, M.; Paxton, A. T. Phys. Rev. B 1989, 40, 3616.
30. Henkelman, G.; Uberuaga, B. P.; Jonsson, P. J. Chem. Phys. 2000, 113, 9901.
31. Bader, R. F. W. Atoms in Molecules: A Quantum Theory; Oxford University Press: New York, 1990.
32. Goniakowski, J.; Noguera, C. Phys. Rev. B 1999, 60, 16120.
33. Giordano, L.; Baistrocchi, M.; Pacchioni, G. Phys. Rev. B 2005, 72, 115403.
34. Chen, L.; Cooper, A. C.; Pez, G. P.; Cheng, H. J. Phys. Chem. C 2007, 111, 5514.
35. Zhou, C.; Wu, J.; Nie, A.; Forrey, R.; Tachibana, A.; Cheng, H. J. Phys. Chem. C 2007, 111, 12773.
36. Zhou, C.; Yao, S.; Wu, J.; Forrey, R.; Chen, L.; Tachibana, A.; Cheng, H. Phys. Chem. Chem. Phys. 2008, 10, 5445.
37. Chen, L.; Chen, B.; Zhou, C.; Wu, J.; Forrey, R.; Cheng, H. J. Phys. Chem. C 2008, 112, 13937.
38. Liu, Z. P.; Hu, P. J. Am. Chem. Soc. 2003, 125, 1958.
39. Shor, E. A. I.; Nasluzov, V. A.; Shor, A. M.; Vayssilov, G. N.; Rosch, N. J. Phys. Chem. C 2007, 111, 12340.
40. Petrova, G. P.; Vayssilov, G. N.; Rosch, N. Chem. Phys. Lett. 2007, 444, 215.
41. Du, A. J.; Smith, S. C.; Yao, X. D.; Lu, G. Q. J. Am. Chem. Soc. 2007, 129, 10201.
42. Hellman, A.; Gronbeck, H. J. Phys. Chem. C 2009, 113, 3674.
43. Singh, A. K.; Ribas, M. A.; Yakobson, B. I. ACS Nano 2009, 3, 1657.
44. Cheng, H.; Chen, L.; Cooper, A.; Sha, X.; Pez, G. Energy Environ. Sci. 2008, 1, 338.
45. Louie, S. G.; Cohen, M. L. Phys. Rev. B 1976, 13, 2461.
46. Tersoff, J. Phys. Rev. Lett. 1986, 56, 2755.
47. Kiguchi, M.; Arita, R.; Yoshikawa, G.; Tanida, Y.; Katayama, M.; Saiki, K.; Koma, A.; Aoki, H. Phys. Rev. Lett. 2003, 90, 196803.
48. Arita, R.; Tanida, Y.; Kuroki, K.; Aoki, H. Phys. Rev. B 2004, 69, 115424.
49. Sha, X.; Chen, L.; A., C.; G., P.; Cheng, H. J. Phys. Chem. C 2009, 113, 11399.