Abstract.
The associative desorption of hydrogen from the Ru(10\(\bar{1}\)0) surface has been studied on the atomic level by means of density-functional calculations with various exchange-correlation functionals and kinetic Monte Carlo simulations. The simulations reproduce forming structures of the layers and main features of TPD spectra for a wide range of hydrogen coverages. In particular, it has been shown that the decrease of binding energies with coverage due to lateral repulsion is correlated with the appearance of low-temperature peaks in the spectra.
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References
A. Gross, Surf. Sci. Rep. 32, 291 (1998)
A. Gross, M. Scheffler, Phys. Rev. B 57, 2493 (1998); A. Gross, M. Scheffler, J. Vac. Sci. Technol. A 15, 1624-1629 (1997)
C. Stampfl, H.J. Kreuzer, S.H. Payne, H. Pfnür, M. Scheffler, Phys. Rev. Lett. 83, 2993 (1999)
Yu.G. Ptushinskii, Low Temp. Phys. 30, 1 (2004)
T.E. Madey, N.S. Faradzhev, B.V. Yakshinskiy, N.V. Edwards, Appl. Surf. Sci. 253, 1691 (2006); R. Wasielewski, B.V. Yakshinskiy, M.N. Hedhili, A. Ciszewski, T.E. Madey, Proc. SPIE 6533, 653316 (2007)
M. Schick, J. Xie, W.J. Mitchell, W.H. Weinberg, J. Chem. Phys. 104, 7713 (1996); I. Nishiyama, H. Oizumi, K. Motai, A. Izumi, T. Ueno, H. Akiyama, A. Namiki, J. Vac. Sci. Technol. B 23, 3129 (2005)
G. Lauth, E. Schwarz, K. Christmann, J. Chem. Phys. 91, 3729 (1989)
R. Döll, L. Hammer, K. Heinz, K. Bedürftig, U. Muschiol, K. Christmann, A.P. Seitsonen, H. Bludau, H. Over, J. Chem. Phys. 108, 8671 (1998)
E. Vesselli, G. Comelli, R. Rosei, J. Chem. Phys. 120, 8216 (2004)
B. Kohler, P. Ruggerone, M. Scheffler, Surf. Sci. 368, (1996) 213; Phys. Rev. B 56, 13503 (1997)
M. Okada, A.P. Baddorf, D.M. Zehner, Surf. Sci. 373, 145 (1997); M. Okada, A.P. Baddorf, D.M. Zehner, E.W. Plummer, Surf. Sci. 363, 422 (1996)
M. Altman, J.W. Chung, P.J. Estrup, J.M. Kosterlitz, J. Prybyla, D. Sahu, S.C. Ying, J. Vac. Sci. Technol. A 5, 1045 (1987)
H.J. Kreuzer, S.H. Payne, A. Drozdiwski, D. Menzel, J. Chem. Phys. 110, 6982 (1999); X.-Y. Zhu, S.R. Hatch, A. Campion, J.M. White, J. Chem. Phys. 91, 5011 (1989)
I.N. Yakovkin, V.D. Osovskii, N.V. Petrova, and Yu.G. Ptushinskii, Surf. Rev. Lett. 13, 375 (2006)
X. Gonze, J.-M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G.-M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, Ph. Ghosez, J.-Y. Raty, D.C. Allan, Comput. Mat. Sci. 25, 478 (2002)
N. Troullier, J.L. Martins, Phys. Rev. B 43, 1993 (1991)
J.P. Perdew, Y. Wang, Phys. Rev. B 45, (1992) 13244; D.M. Ceperley, B.J. Alder, Phys. Rev. Lett. 48, 567 (1980)
J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
S. Goedecker, M. Teter, J. Hutter, Phys. Rev. B 54, 1703 (1996)
Y. Zhang, W. Yang, Phys. Rev. Lett. 80, 890 (1998)
B. Hammer, L.B. Hansen, J.K. Nörskov, Phys. Rev. B 59, 7413 (1999)
S. Schwegmann, A.P. Seitsonen, V. De Renzi, H. Dietrich, H. Bludau, M. Gierer, H. Over, K. Jacobi, M. Scheffler, G. Ertl, Phys. Rev. B 57, 15487 (1998)
H.J. Monkhorst, J.D. Pack, Phys. Rev. B 13, 5188 (1976)
N.V. Petrova, I.N. Yakovkin, Surf. Sci. 578/1-3, 162 (2005)
N.V. Petrova, I.N. Yakovkin, Yu.G. Ptushinskii, Low Temp. Phys. 31, 300 (2005); Eur. Phys. J. B 38, 525 (2004)
I.N. Yakovkin, Surf. Sci. 577/2-3, 229 (2005)
A. Kiejna, R.M. Nieminen, Phys. Rev. B 66, 085407 (2002)
N.V. Petrova, I.N. Yakovkin, Eur. Phys. J. B 58, 257 (2007)
P.A. Redhead, Vacuum 12, 203 (1962)
D.A. King, Surf. Sci. 47, 384 (1975)
D.L.S. Nieskens, A.P. van Bavel, J.W. Niemantsverdriet, Surf. Sci. 546, 159 (2003); A.P. van Bavel, D.C. Ferrer, J.W. Niemantsverdriet, Chem. Phys. Lett. 407, 227 (2005)
M. Bhattacharya, W.G. Devi, P.S. Mazumdar, Appl. Surf. Sci. 218, 1 (2003)
H. Shimizu, K. Christmann, G. Ertl, J. Catal. 61, 412 (1980); J.A. Schwarz, Surf. Sci. 87, 525 (1979)
P. Feulner, D. Menzel, Surf. Sci. 154, 465 (1985)
E. Hulpke, J. Ludecke, Phys. Rev. Lett. 68, 2846 (1992); Surf. Sci. 272, 289 (1992); M. Gruyters, K. Jacobi, J. Electron. Spectr. Relat. Phenom. 64/65,591 (1993); B. Hammer, M. Scheffler, K.W. Jacobsen, J.K. Nörskov, Phys. Rev. Lett. 73, 1400 (1994)
N.V. Petrova, I.N. Yakovkin, Phys. Rev. B 76, 205401 (2007)
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Petrova, N., Yakovkin, I. Hydrogen associative desorption from Ru(1010). Eur. Phys. J. B 63, 17–24 (2008). https://doi.org/10.1140/epjb/e2008-00217-7
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DOI: https://doi.org/10.1140/epjb/e2008-00217-7