CH2I2 adsorption and dissociation on Ag(1 1 1) surface using density functional theory study

Chemical Physics Letters

Volumn 461, Issue 1-3, 2008, Pages 47-52

  Teng, Bo Tao ^a   Huang, Wei Xin ^b   Wu, Feng Min ^a   Wen, Xiao Dong ^a   Jiang, Shi Yu ^a  

^a ZHEJIANG NORMAL UNIVERSITY   (China)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; PROBABILITY DENSITY FUNCTION;

DENSITY-FUNCTIONAL THEORY (DFT);

DENSITY FUNCTIONAL THEORY;

EID: 48149097185     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.06.082     Document Type: Article

References (22)

1. Anderson R.B. The Fischer-Tropsch Synthesis (1984), Academic Press, New York
2. Kis A., Smith K.C., Kiss J., and Solymosi F. Surf. Sci. 460 (2000) 190
3. Klivényi G., and Solymosi F. Surf. Sci. 342 (1995) 168
4. Deng R.P., Herceg E., and Trenary M. Surf. Sci. 573 (2004) 310
5. Kondo J.N., Higashi T., Yamamoto H., Hara M., Domen K., and Onishi T. Surf. Sci. 349 (1996) 294
6. Huang W.X., and White J.M. J. Am. Chem. Soc. 125 (2003) 10798
7. Huang W.X., and White J.M. J. Am. Chem. Soc. 126 (2004) 14527
8. Huang W.X., and White J.M. J. Phys. Chem. B 108 (2004) 7911
9. Huang W.X. J. Mol. Catal. A 245 (2006) 147
10. Wang Y., Wang W.N., Fan K.N., and Deng J.F. Surf. Sci. 487 (2001) 77
11. Kresse G., and Hafner J. Phys. Rev. B 47 (1993) 558
12. Kresse G., and Furthmuller J. Comput. Mater. Sci. 6 (1996) 15
13. Kresse G., and Furthmuller J. Phys. Rev. B 54 (1996) 11169
14. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
15. Bloechl P.E. Phys. Rev. B 50 (1994) 17953
16. Kresse G., and Joubert D. Phys. Rev. B 59 (1999) 1758
17. Wang Y., Wang W.W., Fan K.N., and Deng J.F. Surf. Sci. 490 (2001) 125
18. Montoya A., Schlunke A., and Haynes B.S. J. Phys. Chem. B 110 (2006) 17145
19. Wang S.G., Cao D.B., Li Y.W., Wang J.G., and Jiao H.J. J. Phys. Chem. B 109 (2005) 18956
20. Jónsson H., Mills G., and Jacobsen K.W. In: Berne B.J., Ciccotti G., and Coker D.F. (Eds). Classical Quantum Dynamics in Condensed Phase Simulations (1998), World Scientific, Singapore 385
21. Henkelman G., Uberuaga B.P., and Jónsson H. J. Chem. Phys. 113 (2000) 9901
22. Henkelman G., and Jónsson H. J. Chem. Phys. 113 (2000) 9978