Water adsorption and dissociation on Ni(110): How is it different from its close packed counterparts?

Journal of Chemical Physics

Volumn 140, Issue 17, 2014, Pages

  Seenivasan, H ^a   Tiwari, Ashwani K ^a  

^a INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH KOLKATA   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ATMOSPHERIC TEMPERATURE; BOLTZMANN EQUATION; DISSOCIATION; MOLECULES; SURFACE PROPERTIES;

BOLTZMANN DISTRIBUTION; DISSOCIATION PROBABILITY; LOW SURFACE TEMPERATURE; SECOND LAYER ATOM; SEMI-CLASSICAL APPROXIMATION; SURFACE TEMPERATURES; TRANSITION STATE; WATER ADSORPTION;

NICKEL;

EID: 84900005454     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4873898     Document Type: Article

References (58)

1. C. Ratnasamy and J. P. Wagner, Catal. Rev. 51, 325 (2009). 10.1080/01614940903048661
2. P. A. Thiel and T. E. Madey, Surf. Sci. Rep. 7, 211 (1987). 10.1016/0167-5729(87)90001-X
3. M. A. Henderson, Surf. Sci. Rep. 46, 1 (2002). 10.1016/S0167-5729(01) 00020-6
4. A. Hodgson and S. Haq, Surf. Sci. Rep. 64, 381 (2009). 10.1016/j.surfrep.2009.07.001
5. R. C. Catapan, A. A. M. Oliveira, Y. Chen, and D. G. Vlachos, J. Phys. Chem. C 116, 20281 (2012). 10.1021/jp302488f
6. Y. Huang, C. Ling, M. Jin, J. Du, T. Zhou, and S. Wang, Phys. Chem. Chem. Phys. 15, 17804 (2013). 10.1039/c3cp53644k
7. T. Murakhtina, L. D. Site, and D. Sebastiani, ChemPhysChem 7, 1215 (2006). 10.1002/cphc.200500642
8. M. Pozzo, G. Carlini, R. Rosei, and D. Alfè, J. Chem. Phys. 126, 164706 (2007). 10.1063/1.2717172
9. V. I. Avdeev, I. I. Zakharov, and G. M. Zhidomirov, J. Struct. Chem. 33, 185 (1992). 10.1007/BF00781358
10. H. Seenivasan and A. K. Tiwari, J. Chem. Phys. 139, 174707 (2013). 10.1063/1.4827641
11. J. L. Falconer and R. J. Madix, J. Catal. 51, 47 (1978). 10.1016/0021-9517(78)90237-3
12. C. Benndorf, C. Nöbl, M. Rüsenberg, and F. Thieme, Surf. Sci. 111, 87 (1981). 10.1016/0039-6028(81)90477-5
13. C. Benndorf, C. Nöbl, and F. Thieme, Surf. Sci. 121, 249 (1982). 10.1016/0039-6028(82)90041-3
14. K. Jacobi and H. H. Rotermund, Surf. Sci. 133, 401 (1983). 10.1016/0039-6028(83)90010-9
15. L. Ollé, M. Salmerón, and A. M. Baró, J. Vac. Sci. Technol. 3, 1866 (1985). 10.1116/1.572934
16. C. Benndorf and T. E. Madey, Surf. Sci. 194, 63 (1988). 10.1016/0039-6028(94)91245-9
17. G. Pirug, O. Knauff, and H. P. Bonzel, Surf. Sci. 321, 58 (1994). 10.1016/0039-6028(94)90026-4
18. N. Pangher, A. Schmalz, and J. Haase, Chem. Phys. Lett. 221, 189 (1994). 10.1016/0009-2614(94)00250-9
19. K. Griffiths, R. V. Kasza, F. J. Esposto, B. W. Callen, S. J. Bushby, and P. R. Norton, Surf. Sci. 307-309 (Part A), 60 (1994). 10.1016/0039-6028(94) 90370-0
20. M. Grodzicki and O. Kühnholz, J. Mol. Struct. 174, 65 (1988). 10.1016/0022-2860(88)80135-2
21. J. I. Siepmann and M. Sprik, Surf. Sci. Lett. 279, L185 (1992). 10.1016/0039-6028(92)90734-N
22. B. W. Callen, K. Griffiths, R. V. Kasza, M. B. Jensen, P. A. Thiel, and P. R. Norton, J. Chem. Phys. 97, 3760 (1992). 10.1063/1.462957
23. B. Jiang, X. Ren, D. Xie, and H. Guo, Proc. Natl. Acad. Sci. U.S.A. 109, 10224 (2012). 10.1073/pnas.1203895109
24. B. Jiang, J. Li, D. Xie, and H. Guo, J. Chem. Phys. 138, 044704 (2013). 10.1063/1.4776770
25. A. Mondal, H. Seenivasan, and A. K. Tiwari, J. Chem. Phys. 137, 094708 (2012). 10.1063/1.4749246
26. D. Han, S. Nave, and B. Jackson, J. Phys. Chem. A 117, 8651 (2013). 10.1021/jp402987w
27. S. Nave and B. Jackson, Phys. Rev. Lett. 98, 173003 (2007). 10.1103/PhysRevLett.98.173003
28. S. Nave, A. K. Tiwari, and B. Jackson, J. Chem. Phys. 132, 054705 (2010). 10.1063/1.3297885
29. S. Nave and B. Jackson, J. Chem. Phys. 127, 224702 (2007). 10.1063/1.2800661
30. A. K. Tiwari, S. Nave, and B. Jackson, Phys. Rev. Lett. 103, 253201 (2009). 10.1103/PhysRevLett.103.253201
31. B. Jackson, in Dynamics of Gas-Surface Interactions Atomic-level Understanding of Scattering Processes at Surfaces Series: Springer Series in Surface Sciences, Vol. 50, edited by R. Díez Muiño and H. F. Busnengo (Springer, Heidelberg, 2013), pp. 213-237.
32. M. Bonfanti, C. Díaz, M. F. Somers, and G.-J. Kroes, Phys. Chem. Chem. Phys. 13, 4552 (2011). 10.1039/c0cp01746a
33. A. Marashdeh, S. Casolo, L. Sementa, H. Zacharias, and G.-J. Kroes, J. Phys. Chem. C 117, 8851 (2013). 10.1021/jp401311k
34. A. Mondal, M. Wijzenbroek, M. Bonfanti, C. Díaz, and G.-J. Kroes, J. Phys. Chem. A 117, 8770 (2013). 10.1021/jp4042183
35. L. Martin-Gondre, M. Alducin, G. A. Bocan, R. D. Muiño, and J. I. Juaristi, Phys. Rev. Lett. 108, 096101 (2012). 10.1103/PhysRevLett.108.096101
36. G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993). 10.1103/PhysRevB.47.558
37. G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994). 10.1103/PhysRevB.49.14251
38. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996). 10.1016/0927-0256(96)00008-0
39. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996). 10.1103/PhysRevB.54.11169
40. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
41. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 78, 1396 (1997). 10.1103/PhysRevLett.78.1396
42. P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50. 17953
43. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
44. G. Henkelman, B. P. Uberuaga, and H. Jonsson, J. Chem. Phys. 113, 9901 (2000). 10.1063/1.1329672
45. J. Ren and S. Meng, J. Am. Chem. Soc. 128, 9282 (2006). 10.1021/ja061947p
46. Q.-L. Tang and Z.-X. Chen, Surf. Sci. 601, 954 (2007). 10.1016/j.susc.2006.11.036
47. E. SÄlli, J.-P. Jalkanen, K. Laasonen, and L. Halonen, Mol. Phys. 105, 1271 (2007). 10.1080/00268970701420516
48. See supplementary material at http://dx.doi.org/10.1063/1.4873898 E-JCPSA6-140-002418 for the tables.
49. R. Smoluchowski, Phys. Rev. 60, 661 (1941). 10.1103/PhysRev.60.661
50. B. W. Callen, K. Griffiths, U. Memmert, D. A. Harrington, S. J. Bushby, and P. R. Norton, Surf. Sci. 230, 159 (1990). 10.1016/0039-6028(90)90024-3
51. B. G. Baker, B. B. Johnson, and G. L. C. Maire, Surf. Sci. 24, 572 (1971). 10.1016/0039-6028(71)90282-2
52. D. Donadio, L. M. Ghiringhelli, and L. D. Site, J. Am. Chem. Soc. 134, 19217 (2012). 10.1021/ja308899g
53. J. Tennyson, N. F. Zobov, R. Williamson, O. L. Polyansky, and P. F. Bernath, J. Phys. Chem. Ref. Data 30, 735 (2001). 10.1063/1.1364517
54. P. A. Thiel, F. M. Hoffmann, and W. H. Weinberg, J. Chem. Phys. 75, 5556 (1981). 10.1063/1.441960
55. J. Ren and S. Meng, Phys. Rev. B 77, 054110 (2008). 10.1103/PhysRevB.77. 054110
56. A. K. Tiwari, S. Nave, and B. Jackson, J. Chem. Phys. 132, 134702 (2010). 10.1063/1.3357415
57. B. Jackson and S. Nave, J. Chem. Phys. 135, 114701 (2011). 10.1063/1.3634073
58. B. Jackson and S. Nave, J. Chem. Phys. 138, 174705 (2013). 10.1063/1.4802008