Study of carbon monoxide oxidation on CeO2(111) using ultra accelerated quantum chemical molecular dynamics

Journal of Physical Chemistry C

Volumn 113, Issue 18, 2009, Pages 7723-7727

  Alam, Md Khorshed ^a   Ahmed, Farouq ^a   Nakamura, Katsuyoshi ^a   Suzuki, Ai ^a   Sahnoun, Riadh ^a   Tsuboi, Hideyuki ^a   Koyama, Michihisa ^a   Hatakeyama, Nozomu ^a   Endou, Akira ^a   Takaba, Hiromitsu ^a   Del Carpio, Carlos A ^a   Kubo, Momoji ^a   Miyamoto, Akira ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE OXIDATION; CO MOLECULE; CO OXIDATION; EMERGING TECHNOLOGIES; HIGH ENERGY; MOLECULAR DYNAMICS SIMULATIONS; QUANTUM CHEMICAL MOLECULAR DYNAMICS; QUANTUM-CHEMICAL METHODS;

AIR CLEANERS; AIR POLLUTION; CERIUM COMPOUNDS; DYNAMICS; MOLECULAR DYNAMICS; OXIDATION; OXYGEN; OXYGEN VACANCIES; QUANTUM CHEMISTRY;

CARBON MONOXIDE;

EID: 65549150135     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp8088963     Document Type: Article

References (22)

1. Kašper, J.; Fornasiero, P.; Graziani, M. Catal. Today 1999, 50, 285-298.
2. Rodriguez, J. A.; Jirsak, T.; Sambasivan, S.; Fischer, D.; Maiti, A. J. Chem. Phys. 2000, 112, 9929-9939.
3. Yang, Z.; Woo, T. K; Hermansson, K. Chem. Phys. Lett. 2004, 396, 384-392.
4. Nolan, M.; Watson, G. W. J. Phys. Chem. B 2008, 110, 16600-16606.
5. Di Monte, R.; Kašpar, J. Top. Catal. 2004, 28, 47-57.
6. Sayle, T. X. T.; Parker, S. C.; Catlow, C. R. A. Surf. Sci. 1994, 316, 329-336.
7. Jin, T.; Okuhara, T.; Mains, G. J.; White, J. M. J. Phys. Chem. 1987, 91, 3310-3315.
8. Sanchez, M. G.; Gazquez, J. L. J. Catal. 1987, 104, 120.
9. Yao, H. C.; Yu Yao, Y. F. J. Catal. 1984, 86, 254-265.
10. Nolan, M.; Watson, G. W. J. Phys. Chem. B 2006, 110, 16600-16606.
11. Widmann, D.; Leppelt, R.; Behm, R. J. J. Catal. 2007, 251, 437-442.
12. Elanany, M.; Sasata, K.; Yokosuka, T.; Takami, S.; Kubo, M.; Miyamoto, A.; Imamura, A. Stud. Surf. Sci. Catal. 2002, 142, 1867-1876.
13. Sasata, K.; Yokosuka, T.; Kurokawa, H.; Takami, S.; Kubo, M.; Imamura, A.; Shinmura, T.; Kanoh, M.; Selvam, P.; Miyamoto, A. Jpn. J. Appl. Phys. 2003, 43, 1859-1864.
14. Elanany, M.; Selvam, P.; Yokosuka, T.; Takami, S.; Kubo, M.; Imamura, A.; Miyamoto, A. J. Phys. Chem. B 2003, 107, 1518-1524.
15. Carzaferri, G.; Forss, L.; Kamber, I. J. Phys. Chem. 1989, 93, 5366-5371.
16. Kotani, M.; Amemiya, A; Ishiguro, E.; Kimura, T. Tables of Molecular Orbitals; Maruzen: Tokyo, 1963.
17. Takaba, H.; Hayashi, S.; Zhong, H.; Malani, H.; Suzuki, A.; Sahnoun, R.; Koyama, M.; Tsuboi, H.; Hatakeyama, N.; Endou, A.; Kubo, M.; Del Carpio, C. A.; Miyamoto, A. Appl. Surf. Sci. 2007, 254, 7955-7958.
18. Malani, H.; Hayashi, S.; Zhong, H.; Sahnoun, R.; Tsuboi, H.; Koyama, M.; Hatakeyama, N.; Endou, A.; Kubo, M.; Del Carpio, C. A.; Miyamoto, A. Appl. Surf. Sci. 2007, 254, 7608-7611.
19. Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200-1211.
20. Huang, M.; Fabris, S. J. Phys. Chem. C 2008, 112, 8643-8648.
21. Rajendran, A.; Takahashi, Y.; Koyama, M.; M.; Kubo, M.; Miyamoto, A. Appl. Surf. Sci. 2005, 244, 24-38.
22. Chen, Y.; Hu, P.; Lee, M. H.; Wang, H. Surf. Sci. 2008, 602, 1736-1741.