Abstract
Using the unity bond index–quadratic exponential potential (UBI–QEP) formalism and the Monte Carlo method, functions are obtained that describe the dependence of the binding energies of atomic adsorbates on the single crystal surface coverage for the models of random adsorption, models with a site choice and site preference, models with neighbor exclusion, and models with diffusion assistance.
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REFERENCES
Shustorovich, E., Adv. Catal., 1990, vol. 37, p. 101.
Shustorovich, E. and Sellers, H., Surf. Sci. Rep., 1998, vol. 31, p. 1.
Sellers, H. and Shustorovich, E., Surf. Sci., 2002, vol. 504, p. 167.
Shustorovich, E. and Bell, A., Surf. Sci., 1991, vol. 253, p. 386.
Paredes Olivera, P., Patrito, E.M., and Sellers, H., Surf. Sci., 1995, vol. 327, p. 330.
Wang, G., Zhao, Y., Cai, Z., Pan, Y., Zhao, X., Li, Y., San, Y., and Zong, B., Surf. Sci., 2000, vol. 465, p. 51.
Hei, M.J., Chen, H.B., Yi, J., Lin, Y.J., Lin, Y.Z., Wei, G., and Liao, D.W., Surf. Sci., 1998, vol. 417, p. 82.
Zeigarnik, A.V., Valdés-Pérez, R.E., and Myatkovskaya, O.N., J. Phys. Chem. B, 2000, vol. 104, p. 10578.
Zeigarnik, A.V. and Myatkovskaya, O.N., Kinet. Katal., 2001, vol. 42, p. 464.
Gislason, J., Xia, W., and Sellers, H., J. Phys. Chem. A, 2002, vol. 106, p. 767.
Shen, B., Chen, X., Fan, K., and Deng, J.-F., Surf. Sci., 1998, vol. 408, p. 128.
Bell, A. and Shustorovich, E., J. Catal., 1990, vol. 121, p. 1.
Shustorovich, E. and Bell, A., Surf. Sci., 1991, vol. 248, p. 359.
Shustorovich, E., Catal. Lett., 1990, vol. 7, p. 107.
Shustorovich, E. and Bell, A., Surf. Sci., 1993, vol. 289, p. 127.
Shustorovich, E. and Bell, A., Surf. Sci., 1991, vol. 259, p. 791.
Zeigarnik, A., Kinet. Katal., (in press).
Shustorovich, E., Surf. Sci., 1985, vol. 163, p. 645.
Shustorovich, E., Surf. Sci. Rep., 1986, vol. 6, p. 1.
Hansen, E. and Neurock, M., Surf. Sci., 1999, vol. 441, p. 410.
Hansen, E. and Neurock, M., Surf. Sci., 2000, vol. 464, p. 91.
Hansen, E. and Neurock, M., Chem. Eng. Sci., 1999, vol. 54, p. 3411.
Ge, Q., Hu, P., and King, D.A., J. Chem. Phys., 1997, vol. 108, p. 6447.
Brown, W.A., Kose, R., and King, D.A., Chem. Rev., 1998, vol. 98, p. 797.
Zhdanov, V.P., Surf. Sci., 2002, vol. 500, p. 966.
Vattuone, L., Yeo, Y.Y., and King, D.A., J. Chem. Phys., 1996, vol. 104, p. 8096.
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Zeigarnik, A.V., Abramova, L.A. & Baranov, S.P. Monte Carlo and UBI–QEP Modeling of the Coverage-Dependent Binding Energy for Atomic Adsorbates on the (111) and (100) Transition Metal Surfaces. Kinetics and Catalysis 44, 141–147 (2003). https://doi.org/10.1023/A:1022541222423
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DOI: https://doi.org/10.1023/A:1022541222423