Probing the proton location in a water bilayer on Pd (111) by inelastic spectroscopy simulations

Journal of Chemical Physics

Volumn 130, Issue 12, 2009, Pages

  Bocquet, Marie Laure ^a   Lorente, Nicolás ^b,c  

^a UNIVERSITÉ DE LYON   (France)

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

^c CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

PHONONS; SCANNING TUNNELING MICROSCOPY;

ELECTROCHEMICAL MODELING; FIRST PRINCIPLES; HIGHER FREQUENCIES; INELASTIC ELECTRON TUNNELING SPECTROSCOPY; LOWER FREQUENCIES; METAL SURFACES; OPTICAL PHONONS; STRETCHING MODES;

ELECTRON TUNNELING;

PALLADIUM; PROTON; RADIOISOTOPE; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; ELASTICITY; QUANTUM THEORY; SPECTROSCOPY; SURFACE PROPERTY; VIBRATION;

ELASTICITY; MODELS, CHEMICAL; PALLADIUM; PROTONS; QUANTUM THEORY; RADIOISOTOPES; SPECTRUM ANALYSIS; SURFACE PROPERTIES; VIBRATION; WATER;

EID: 63649096990     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3089824     Document Type: Article

References (44)

1. P. Thiel and T. Madey, Surf. Sci. Rep. 0167-5729 10.1016/0167-5729(87) 90001-X 7, 211 (1987).
2. M. Henderson, Surf. Sci. Rep. 0167-5729 10.1016/S0167-5729(01)00020-6 46, 1 (2002).
3. A. Verdaguer, G. M. Sacha, H. Bluhm, and M. Salmeron, Chem. Rev. (Washington, D.C.) 0009-2665 10.1021/cr040376l 106, 1478 (2006).
4. P. Feibelman, Science 0036-8075 10.1126/science.1065483 295, 99 (2002).
5. A. Michaelides, A. Alavi, and D. King, Phys. Rev. B 0163-1829 10.1103/PhysRevB.69.113404 69, 113404 (2004).
6. S. Meng, L. Xu, E. Wang, and S. Gao, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.89.176104 89, 176104 (2002).
7. J. Cerda, A. Michaelides, M. -L. Bocquet, P. Feibelman, T. Mitsui, M. Rose, E. Fomine, and M. Salmeron, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.93.116101 93, 116101 (2004).
8. S. Meng, E. Wang, C. Frischkorn, M. Wolf, and S. Gao, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2004.12.065 402, 384 (2005).
9. G. Materzanini, G. Tantardini, P. Lindan, and P. Saalfrank, Phys. Rev. B 0163-1829 10.1103/PhysRevB.71.155414 71, 155414 (2005).
10. H. Ogasawara, B. Brena, D. Nordlund, M. Nyberg, A. Pelmenschikov, L. Pettersson, and A. Nilsson, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.89. 276102 89, 276102 (2002).
11. K. Andersson, A. Nikitin, L. Pettersson, A. Nilsson, and H. Ogasawara, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.93.196101 93, 196101 (2004).
12. J. Weissenrieder, A. Mikkelsen, J. Andersen, P. Feibelman, and G. Held, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.93.196102 93, 196102 (2004).
13. K. Jacobi, K. Bedürftig, Y. Wang, and G. Ertl, Surf. Sci. 0039-6028 10.1016/S0039-6028(00)00932-8 472, 9 (2001).
14. P. Cabrera-Sanfelix, D. Sanchez-Portal, A. Mugarza, T. K. Shimizu, M. Salmeron, A. Arnau, G. Kresse, and D. Joubert, Phys. Rev. B 0163-1829 10.1103/PhysRevB.76.205438 76, 205438 (2007).
15. J. Filhol and M. Neurock, Angew. Chem., Int. Ed. 1433-7851 10.1002/anie.200502540 45, 402 (2006).
16. C. Taylor, S. Wasileski, J. Filhol, and M. Neurock, Phys. Rev. B 0163-1829 10.1103/PhysRevB.73.165402 73, 165402 (2006).
17. J. Filhol and M. -L. Bocquet, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett.2007.03.002 438, 203 (2007).
18. K. Morgenstern and J. Nieminen, J. Chem. Phys. 0021-9606 10.1063/1.1737366 120, 10786 (2004).
19. B. C. Stipe, M. A. Rezaei, and W. Ho, Science 0036-8075 10.1126/science.280.5370.1732 280, 1732 (1998).
20. L. Lauhon and W. Ho, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.84. 1527 84, 1527 (2000).
21. L. J. Lauhon and W. Ho, Rev. Sci. Instrum. 72, 216 (2001).
22. Y. Kim, T. Komeda, and M. Kawai, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.89.126104 89, 126104 (2002).
23. M. Galperin, M. A. Ratner, A. Nitzan, and A. Troisi, Science 0036-8075 10.1126/science.1146556 319, 1056 (2008).
24. N. Lorente and M. Persson, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.85.2997 85, 2997 (2000).
25. N. Lorente, M. Persson, L. Lauhon, and W. Ho, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.86.2593 86, 2593 (2001).
26. S. Paavilainen and M. Persson, Phys. Rev. B 0163-1829 10.1103/PhysRevB.74.085417 74, 085417 (2006).
27. A. Troisi, J. M. Beebe, L. B. Picraux, R. D. van Zee, D. R. Stewart, M. A. Ratner, and J. G. Kushmerick, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 10.1073/pnas.0704208104 104, 14255 (2007).
28. M. -L. Bocquet, H. Lesnard, and N. Lorente, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.96.096101 96, 096101 (2006).
29. H. Lesnard, M. -L. Bocquet, and N. Lorente, J. Am. Chem. Soc. 0002-7863 10.1021/ja067442g 129, 4298 (2007).
30. H. Lesnard, N. Lorente, and M. -L. Bocquet, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/20/22/224012 20, 224012 (2008).
31. K. Morgenstern and J. Nieminen, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.88.066102 88, 066102 (2002).
32. O. Tal, M. Krieger, B. Leerink, and J. M. van Ruitenbeek, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.100.196804 100, 196804 (2008).
33. A. Troisi and M. A. Ratner, J. Chem. Phys. 0021-9606 10.1063/1.2390698 125, 214709 (2006).
34. M. Paulsson, T. Frederiksen, H. Ueba, N. Lorente, and M. Brandbyge, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.100.226604 100, 226604 (2008).
35. G. Kresse and J. Furthmuller, Comput. Mater. Sci. 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996).
36. G. Kresse and D. Joubert, Phys. Rev. B 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
37. R. Hoffmann, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys.60.601 60, 601 (1988).
38. J. Tersoff and D. R. Hamman, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.50.1998 50, 1998 (1983).
39. Y. Ootsuka, N. Lorente, and H. Ueba (unpublished).
40. A. Roudgar and A. Gross, Chem. Phys. Lett. 0009-2614 10.1016/j.cplett. 2005.04.103 409, 157 (2005).
41. C. G. Sanchez, Surf. Sci. 0039-6028 10.1016/S0039-6028(03)00080-3 527, 1 (2003).
42. E. Fomin, M. Tatarkhanov, T. Mitsui, M. Rose, D. Ogletree, and M. Salmeron, Surf. Sci. 0039-6028 10.1016/j.susc.2005.11.004 600, 542 (2006).
43. N. Lorente, Appl. Phys. A: Mater. Sci. Process. 0947-8396 10.1007/s00339-003-2434-8 78, 799 (2004).
44. N. Lorente, R. Rurali, and H. Tang, J. Phys.: Condens. Matter 0953-8984 10.1088/0953-8984/17/13/003 17, S1049 (2005).