Reentrant mechanism for associative desorption: H 2/Pt(110)- (1×2)

Physical Review Letters

Volumn 108, Issue 15, 2012, Pages

  Gudmundsdótir, Sigrídur ^a   Skúlason, Egill ^a   Jónsson, Hannes ^a  

^a UNIVERSITY OF ICELAND   (Iceland)

Author keywords

[No Author keywords available]

Indexed keywords

ASSOCIATIVE DESORPTIONS; DESORPTION OF HYDROGEN; DESORPTION SPECTRA; EDGE SITES; HIGHEST TEMPERATURE; HYDROGEN MOLECULE; PT(1 1 0); STRONG BINDING;

ACTIVATION ENERGY; BINDING SITES; HYDROGEN; PLATINUM;

DESORPTION;

EID: 84859789825     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.108.156101     Document Type: Article

References (26)

1. J. Greeley and M. Mavrikakis, Nature Mater. 3, 810 (2004); NMAACR 1476-1122 10.1038/nmat1223
2. J. Hafner, C. Wolverton, and G. Ceder, MRS Bull. 31, 659 (2006); MRSBEA 0883-7694 10.1557/mrs2006.174
3. H.J. Freund and G. Pacchioni, Chem. Soc. Rev. 37, 2224 (2008); CSRVBR 0306-0012 10.1039/b718768h
4. J.K. Nørskov, T. Bligaard, J. Rossmeisl, and C.H. Christensen, Nature Chem. 1, 37 (2009); 1755-4330 10.1038/nchem.121
5. J.K. Nørskov, F. Abild-Pedersen, F. Studt, and T. Bligaard, Proc. Natl. Acad. Sci. U.S.A. 108, 937 (2011). PNASA6 0027-8424 10.1073/pnas. 1006652108
6. B. Hammer, L.B. Hansen, and J.K. Nørskov, Phys. Rev. B PRBMDO 0163-1829 59, 7413 (1999). 10.1103/PhysRevB.59.7413
7. D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 41, 7892 (1990). 10.1103/PhysRevB.41.7892
8. G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 47, 558 (1993); 10.1103/PhysRevB.47.558
9. G. Kresse and J. Furtmüller, Comput. Mater. Sci. 6, 15 (1996). CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 (Pubitemid 126412269)
10. G. Henkelman, B. Uberuaga, and H. Jónsson, J. Chem. Phys. 113, 9901 (2000); JCPSA6 0021-9606 10.1063/1.1329672 (Pubitemid 32076883)
11. G. Henkelman and H. Jónsson, J. Chem. Phys. 113, 9978 (2000). JCPSA6 0021-9606 10.1063/1.1323224 (Pubitemid 32076892)
12. Z. Zhang, M. Minca, C. Deisl, T. Loerting, A. Menzel, E. Bertel, R. Zucca, and J. Redinger, Phys. Rev. B PRBMDO 1098-0121 70, 121401(R) (2004); 10.1103/PhysRevB.70.121401
13. M. Minca, S. Penner, T. Loerting, A. Menzel, E. Bertel, R. Zucca, and J. Redinger, Top. Catal. 46, 161 (2007). TOCAFI 1022-5528 10.1007/s11244-007-0326-4
14. K. Christmann, Surf. Sci. Rep. 9, 1 (1988). SSREDI 0167-5729 10.1016/0167-5729(88)90009-X
15. E. Kirsten, G. Parschau, W. Stocker, and K.H. Rieder, Surf. Sci. Lett. 231, L183 (1990). SUSCAS 0039-6028 10.1016/0039-6028(90)90190-J
16. J.R. Engstrom, W. Tsai, and W.H. Weinberg, J. Chem. Phys. 87, 3104 (1987). JCPSA6 0021-9606 10.1063/1.453048
17. R. Bader, Atoms in Molecules: A Quantum Theory (Oxford University Press, New York, 1990);
18. G. Henkelman, A. Arnaldsson, and H. Jónsson, Comput. Mater. Sci. CMMSEM 0927-0256 36, 354 (2006). 10.1016/j.commatsci.2005.04.010 (Pubitemid 44382438)
19. R. Smoluchowski, Phys. Rev. 60, 661 (1941). PHRVAO 0031-899X 10.1103/PhysRev.60.661
20. S. Gudmundsdótir, E. Skúlason, L. Kristinsdótir, and H. Jónsson (to be published).
21. M. Minca, S. Penner, E. Dona, A. Menzel, E. Bertel, V. Brouet, and J. Redinger, New J. Phys. NJOPFM 1367-2630 9, 386 (2007). 10.1088/1367-2630/9/10/ 386 (Pubitemid 350046211)
22. C. Lu and R.I. Masel, J. Phys. Chem. B 105, 9793 (2001). JPCBFK 1520-6106 10.1021/jp011684f
23. R.J. Cvetanović and Y. Amenomiya, in Advances in Catalysis, edited by, W.G. Frankenberg, (Academic Press Inc., New York, 1967), Vol. 17.
24. S. Gudmundsdótir, W. Tang, G. Henkelman, H. Jónsson, and E. Skúlason (to be published).
25. G.J. Kubas, Metal Dihydrogen and σ -Bond Complexes: Structure, Theory, and Reactivity (Springer, New York, 2001).
26. G. Anger, H.F. Berger, M. Luger, S. Feistritzer, A. Winkler, and K.D. Rendulic, Surf. Sci. 219, L583 (1989). SUSCAS 0039-6028 10.1016/0039-6028(89) 90504-9