Communication: Methane dissociation on Ni(111) surface: Importance of azimuth and surface impact site

Journal of Chemical Physics

Volumn 144, Issue 10, 2016, Pages

  Shen, Xiangjian ^a,b   Zhang, Zhaojun ^b   Zhang, Dong H ^b  

^a ZHENGZHOU UNIVERSITY   (China)

^b DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DEGREES OF FREEDOM (MECHANICS); DYNAMICS; NICKEL; POTENTIAL ENERGY; QUANTUM CHEMISTRY; QUANTUM THEORY;

COMPLEX CHEMICAL REACTION MECHANISM; DISSOCIATION PROBABILITY; DISSOCIATIVE CHEMISORPTION; MOLECULAR DISSOCIATION; QUANTUM DYNAMICAL MODELS; QUANTUM DYNAMICS SIMULATION; STRONG DEPENDENCES; VIBRATIONAL DEGREES OF FREEDOM;

DISSOCIATION;

EID: 84960847480     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4943128     Document Type: Article

References (30)

1. R. D. Beck, P. Maroni, D. C. Papageorgopoulos, T. T. Dang, M. P. Schmid, and T. R. Rizzo, Science 302, 98 (2003). 10.1126/science.1088996
2. R. R. Smith, D. R. Killelea, D. F. DelSesto, and A. L. Utz, Science 304, 992 (2004). 10.1126/science.1096309
3. D. R. Killelea, V. L. Campbell, N. S. Shuman, and A. L. Utz, Science 319, 790 (2008). 10.1126/science.1152819
4. L. Juurlink, D. Killelea, and A. Utz, Prog. Surf. Sci. 84, 69 (2009). 10.1016/j.progsurf.2009.01.001
5. A. C. Luntz and J. Harris, Surf. Sci. 258, 397 (1991). 10.1016/0039-6028(91)90934-K
6. S. Nave and B. Jackson, Phys. Rev. Lett. 98, 173003 (2007). 10.1103/PhysRevLett.98.173003
7. G. P. Krishnamohan, R. A. Olsen, G.-J. Kroes, F. Gatti, and S. Woittequand, J. Chem. Phys. 133, 144308 (2010). 10.1063/1.3491031
8. G. P. Krishnamohan, R. A. Olsen, A. Valdes, and G.-J. Kroes, Phys. Chem. Chem. Phys. 12, 7654 (2010). 10.1039/b924669j
9. S. Nave and B. Jackson, Phys. Rev. B 81, 233408 (2010). 10.1103/PhysRevB.81.233408
10. A. K. Tiwari, S. Nave, and B. Jackson, J. Chem. Phys. 132, 134702 (2010). 10.1063/1.3357415
11. B. Jiang, R. Liu, J. Li, D. Xie, M. Yang, and H. Guo, Chem. Sci. 4, 3249 (2013). 10.1039/c3sc51040a
12. B. Jiang, M. Yang, D. Xie, and H. Guo, Chem. Soc. Rev. (published online, 2016). 10.1039/c5cs00360a
13. X. J. Shen, A. Lozano, W. Dong, H. F. Busnengo, and X. H. Yan, Phys. Rev. Lett. 112, 046101 (2014). 10.1103/PhysRevLett.112.046101
14. A. Lozano, X. J. Shen, R. Moiraghi, W. Dong, and H. Busnengo, Surf. Sci. 640, 25 (2015). 10.1016/j.susc.2015.04.002
15. F. Nattino, H. Ueta, H. Chadwick, M. E. van Reijzen, R. D. Beck, B. Jackson, M. C. van Hemert, and G.-J. Kroes, J. Phys. Chem. Lett. 5, 1294 (2014). 10.1021/jz500233n
16. J. Palma and D. C. Clary, J. Chem. Phys. 112, 1859 (2000). 10.1063/1.480749
17. M. Yang, S.-Y. Lee, and D. H. Zhang, J. Chem. Phys. 126, 064303 (2007). 10.1063/1.2434171
18. S. Nave, A. K. Tiwari, and B. Jackson, J. Chem. Phys. 132, 054705 (2010). 10.1063/1.3297885
19. B. Jackson, F. Nattino, and G.-J. Kroes, J. Chem. Phys. 141, 054102 (2014). 10.1063/1.4891327
20. S. Nave, A. K. Tiwari, and B. Jackson, J. Phys. Chem. A 118, 9615 (2014). 10.1021/jp5063644
21. X. J. Shen, J. Chen, Z. J. Zhang, K. J. Shao, and D. H. Zhang, J. Chem. Phys. 143, 144701 (2015). 10.1063/1.4932226
22. See supplementary material at http://dx.doi.org/10.1063/1.4943128 E-JCPSA6-144-028610 for fifteen-dimensional potential energy surface and nine-dimensional quantum model.
23. Z. Zhang, J. Chen, S. Liu, and D. H. Zhang, J. Chem. Phys. 140, 224304 (2014). 10.1063/1.4881517
24. Z. Zhang and D. H. Zhang, J. Chem. Phys. 141, 144309 (2014). 10.1063/1.4897308
25. X. J. Shen, Z. J. Zhang, and D. H. Zhang, Phys. Chem. Chem. Phys. 17, 25499 (2015). 10.1039/C5CP04229A
26. J. Dai and J. C. Light, J. Chem. Phys. 107, 1676 (1997). 10.1063/1.474520
27. T. H. Liu, Z. J. Zhao, B. Fu, X. Yang, and D. H. Zhang, Chem. Sci. 7, 1840 (2016). 10.1039/C5SC03689E
28. T. H. Liu, B. Fu, and D. H. Zhang, J. Chem. Phys. 140, 144701 (2014). 10.1063/1.4870594
29. B. Jiang and H. Guo, Phys. Rev. Lett. 114, 166101 (2015). 10.1103/PhysRevLett.114.166101
30. X. X. Hu, B. Jiang, D. Q. Xie, and H. Guo, J. Chem. Phys. 143, 114706 (2015). 10.1063/1.4931040