Theoretical study of CCl4 adsorption and hydrogenation on a Pt (111) surface

Journal of Physical Chemistry B

Volumn 110, Issue 48, 2006, Pages 24541-24548

  Lu, Guiwu ^a,b   Lan, Jianhui ^a,b   Li, Chunxi ^b   Wang, Wenchuan ^b   Wang, Chunlei ^c  

^a CHINA UNIVERSITY OF PETROLEUM   (China)

^b BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

^c SHANDONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ADSORPTION; CATALYST ACTIVITY; CHARGE TRANSFER; DISSOCIATION; HYDROGENATION; PLATINUM; PROBABILITY DENSITY FUNCTION;

ADSORBATE GEOMETRY OPTIMIZATION; ADSORPTION ENERGY; HYDROGENATION PATHWAYS;

CHLORINE COMPOUNDS;

EID: 33846093543     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0600054     Document Type: Article

References (32)

1. Buchar, N. I.; Kuech, T. F.; Scilla, G. J. J. Cryst. Growth 1991, 110, 405.
2. Tokuda, J.; Takai, M.; Nakai, H.; Gamo, K.; Namba, S. J. Opt. Soc. Am. B 1987, 4, 267.
3. Jones, R. G. Surf. Sci. 1979, 88, 367.
4. Smentkowski, V. S.; Cheng, C. C.; Yates, J. T., Jr. Surf. Sci. 1989, 215, L279.
5. Smentkowski, V. S.; Cheng, C. C.; Yates, J. T., Jr. Langmuir 1990, 6, 147.
6. Smentkowski, V. S.; Cheng, C. C.; Yates, J. T., Jr. Surf. Sci. 1990, 235, 116.
7. Dixon-Warren, S. J.; Jensen, E. T.; Polanyi, J. C.; Xu, G. Q.; Yang, S. H.; Zeng, H. C. Faraday Discuss. Chem. Soc. 1991, 91, 451.
8. Dixon-Warren, S. J.; Jensen, E. T.; Polanyi, J. C. Phys. Rev. Lett. 1991, (57, 2395.
9. Sack, N. J.; Nair, L.; Madey, T. E. Surf. Sci. 1994, 310, 63.
10. Cook, J. C.; McCash, E. M. Surf. Sci. 1996, 365, 573.
11. Goulding, P. A.; Pemble, M. E. Surf. Sci. 1991, 247, L201.
12. Liberman, V.; Haase, G.; Osgood, R. M., Jr. Surf. Sci. 1992, 268, 307.
13. Chesters, M. A.; Lennon, D. Surf. Sci. 1999, 426, 92.
14. Vance, J. E.; Bauman, W. C. J. Chem. Phys. 1938, 6, 811.
15. Weiss, A. H.; Gambhir, B. S.; Leon, R. B. J. Catal. 1971, 22, 245.
16. Weiss, A. H.; Valinski, S.; Antoshin, G. V. J. Catal. 1982, 74, 136.
17. Choi, H. C.; Choi, S. H.; Yang, O. B.; Lee, J. S.; Lee, K. H.; Kim, Y. G. J. Catal. 1996, 161, 790.
18. Hohenberg, P.; Kohn, W. Phys. Rev. B 1964, 136, 864.
19. Kohn, W.; Sham, L. Phys. Rev. A 1965, 140, 1133.
20. Brown, W. A.; King, D. A. J. Phys. Chem. B 2000, 104, 2578.
21. Delley, B. J. Chem. Phys. 1990, 92, 508.
22. Delley, B. J. Phys. Chem. 1996, 100, 6107.
23. Delley, B. J. Chem. Phys. 2000, 113, 7756.
24. Perdew, J. P.; Wang, Y. Phys. Rev. B 1992, 45, 13244.
25. Perdew, J. P.; Wang, Y. Phys. Rev. B 1986, 33, 8800.
26. Delley, B. Phys. Rev. B 2002, 66, 155125.
27. Hu, Y.; Lv, R. D.; Liu, G. J.; Ye, R. Q. Physical Chemistry, 4th version; Higher Education Press: Beijing, 1999.
28. Govind, N.; Petersen, M.; Fitzgerald, G.; King-Smith, D.; Andzelm, J. Comput. Mater. Sci. 2003, 28, 250.
29. Orita, H.; Nakamura, I.; Fujitani, T. J. Chem. Phys. 2005, 122, 14703.
30. Xu, W. H.; Zheng, H. P. J. Tongji Univ. (in Chinese) 2003, 31, 3.
31. Bielawa, H.; Hinrichsen, O.; Birkner, A.; Muhler, M. Angew. Chem., Int. Ed. 2001, 40, 1061.
32. Hansen, T. W.; Wanger, J. B.; Hansen, P. L.; Dahl, S.; Topsoe, H.; Jacobsen, C. J. H. Science 2001, 294, 1508.