Structure and reactions of carbon and hydrogen on Ru(0001): A scanning tunneling microscopy study

Journal of Chemical Physics

Volumn 129, Issue 24, 2008, Pages

  Shimizu, Tomoko K ^a,b,e   Mugarza, Aitor ^a,c,f   Cerdá, Jorge I ^d   Salmeron, Miquel ^a,b  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA ICMAB CSIC   (Spain)

^d INSTITUTO DE CIENCIA DE MATERIALES DE MADRID   (Spain)

^e INST OF PHYS AND CHEMICAL RESEARCH   (Japan)

^f CATALAN INSTITUTE OF NANOSCIENCE AND NANOTECHNOLOGY ICN2   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CARBON; DENSITY FUNCTIONAL THEORY; HYDROGENATION;

CARBON AND HYDROGENS; HYDROGENATION REACTIONS; RU(0001); STM IMAGES;

SCANNING TUNNELING MICROSCOPY;

EID: 58149267729     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2991434     Document Type: Article

References (36)

1. V. Ponec, in Handbook of Heterogeneous Catalysis, edited by, G. Ertl, H. Knozinger, and, J. Weitkamp, (VCH-Wiley, Weinheim, 1997), Vol. 4, p. 1876.
2. M. Araki and V. Ponec, J. Catal. 0021-9517 10.1016/0021-9517(76)90421-8 44, 439 (1976).
3. P. Biloen and W. H. M. Sachtler, Adv. Catal. 30, 165 (1981).
4. R. A. van Santen, A. de Koster, and T. Koerts, Catal. Lett. 1011-372X 10.1007/BF00764488 7, 1 (1990).
5. I. M. Ciob̀c, F. Frechard, R. A. van Santen, W. Kleyn, and J. Hafner, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(99)00830-1 311, 185 (1999).
6. I. M. Ciob̀c, F. Frechard, R. A. van Santen, W. Kleyn, and J. Hafner, J. Phys. Chem. B 1089-5647 10.1021/jp993314l 104, 3364 (2000).
7. P. M. George, A. R. Averey, W. H. Weinberg, and F. N. Tebbe, J. Am. Chem. Soc. 0002-7863 10.1021/ja00343a065 105, 1393 (1983).
8. M. -C. Wu and D. W. Goodman, J. Am. Chem. Soc. 0002-7863 10.1021/ja00083a023 116, 1364 (1994).
9. Y. Zhou, M. A. Henderson, W. Feng, and J. White, Surf. Sci. 0039-6028 10.1016/0039-6028(89)90922-9 224, 386 (1989).
10. I. M. Ciob̀c, G. J. Kramer, Q. Ge, M. Neurock, and R. A. van Santen, J. Catal. 0021-9517 10.1006/jcat.2002.3742 212, 136 (2002).
11. M. A. Barteau, J. Q. Broughton, and D. Menzel, Appl. Surf. Sci. 19, 92 (1984). 0378-5963
12. M. A. Barteau, P. Feulner, R. Stencgl, J. Q. Broughton, and D. Menzel, J. Catal. 0021-9517 10.1016/0021-9517(85)90081-8 94, 51 (1985).
13. M. Yu. Smirnov, V. V. Gorodetskii, A. R. Cholach, and D. Yu. Zemlyanov, Surf. Sci. 0039-6028 10.1016/0039-6028(94)91421-4 311, 308 (1994).
14. J. E. Demuth and H. Ibach, Surf. Sci. Lett. 0167-2584 10.1016/0039-6028(78)90225-X 78, L238 (1978).
15. Q. Y. Yang, K. J. Maynard, A. D. Johnson, and S. T. Ceyer, J. Phys. Chem. 102, 15 (1995). 0022-3654
16. R. Deng, E. Herceg, and M. Trenary, Surf. Sci. 0039-6028 10.1016/j.susc.2004.10.002 573, 310 (2004).
17. T. K. Shimizu, A. Mugarza, J. I. Cerdá, M. Heyde, Y. Qi, U. D. Schwarz, D. F. Ogletree, and M. Salmeron, J. Phys. Chem. C 1932-7447 10.1021/jp711097j 112, 7445 (2008).
18. B. H. Albers, M. Liebmann, T. C. Schwendemann, M. Z. Baykara, M. Heyde, M. Salmeron, E. I. Altman, and U. D. Schwarz, Rev. Sci. Instrum. 0034-6748 10.1063/1.2842631 79, 033704 (2008).
19. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
20. J. M. Soler, E. Artacho, J. Gale, A. García, J. Junquera, P. Ordejón, and D. Sánchez-Portal, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/14/11/302 14, 2745 (2002).
21. N. Troullier and J. L. Martins, Phys. Rev. B 0163-1829 10.1103/PhysRevB.43.1993 43, 1993 (1991).
22. J. I. Cerdá, M. A. Van Hove, P. Sautet, and M. Salmeron, Phys. Rev. B 0163-1829 10.1103/PhysRevB.56.15885 56, 15885 (1997); see also www.icmm.csic.es/jcerda
23. J. I. Cerdá and F. Soria, Phys. Rev. B 0163-1829 10.1103/PhysRevB.61.7965 61, 7965 (2000).
24. M. Tatarkhanov, F. Rose, E. Fomin, D. F. Ogletree, and M. Salmeron, Surf. Sci. 0039-6028 10.1016/j.susc.2007.10.042 602, 487 (2008).
25. F. Rose, M. Tatarkhanov, E. Fomin, and M. Salmeron, J. Phys. Chem. C 1932-7447 10.1021/jp075787v 111, 19052 (2007).
26. M. Lindroos, H. Pfnür, P. Feulner, and D. Menzel, Surf. Sci. 0039-6028 10.1016/0039-6028(87)90046-X 180, 237 (1987).
27. M. Lindroos, H. Pfnür, and D. Menzel, Surf. Sci. 0039-6028 10.1016/0167-2584(87)90810-3 192, 421 (1987).
28. K. L. Kostov, W. Widdra, and D. Menzel, Surf. Sci. 0039-6028 10.1016/j.susc.2004.04.025 560, 130 (2004).
29. M. Y. Chou and J. R. Chelikowsky, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.59.1737 59, 1737 (1987).
30. L. Xu, H. Y. Xiao, and X. T. Zu, Chem. Phys. 0301-0104 10.1016/j.chemphys.2005.04.007 315, 155 (2005).
31. T. Mitsui, E. Fomin, D. F. Ogletree, M. Salmeron, A. U. Nilekar, and M. Mavrikakis, Angew. Chem., Int. Ed. 1433-7851 10.1002/anie.200604498 46, 5757 (2007).
32. B. Stipe, M. Rezaei, and W. Ho, Science 0036-8075 10.1126/science.279. 5358.1907 279, 1907 (1998).
33. H. Ueba, Surf. Rev. Lett. 0218-625X 10.1142/S0218625X03005578 10, 771 (2003).
34. G. Held, H. Pfnür, and D. Menzel, Surf. Sci. 271, 21 (1992). 0039-6028
35. Strictly speaking, dCH-H corresponds to the in plane distance from the H to the hcp site. However, for the range of distances considered the C atom never shifted by more than 0.15 Å from the ideal hcp site. Therefore, we may identify dCH-H with the in plane distance between the H and CH.
36. The arrangements of the H atoms inside the cell have been chosen arbitrarily, comprising of high and low densely packed configurations or a mixture of both. In some cases we have considered two or three different H configurations with the same n and m values.