×

zbMATH — the first resource for mathematics

Effects of surface topography on the collective diffusion of interacting adsorbed particles. (English) Zbl 1400.82257
Summary: Collective diffusion of particles with repulsive nearest-neighbor interactions on bivariate surfaces is studied through Monte Carlo simulation, in the framework of the Kubo-Green theory. Shallow and deep adsorbing sites form \(l \times l\) patches distributed at random or in chessboard-like ordered domains on a two-dimensional square lattice. The influence of the energetic correlation and the lateral interactions on the jump and collective diffusion coefficients are analyzed by simulating the coverage fluctuations in the grand canonical ensemble and the mean-square displacements of particles in the canonical ensemble. The combination of topography and lateral coupling is shown to produce interesting effects such as different filling regimes as well as strong effects on the coverage dependence of the transport coefficients.
MSC:
82C80 Numerical methods of time-dependent statistical mechanics (MSC2010)
65C05 Monte Carlo methods
PDF BibTeX XML Cite
Full Text: DOI
References:
[1] Rudzinski, W.; Everett, D. H., Adsorption of Gases on Heterogeneous Surfaces (1992), Academic Press: Academic Press New York
[2] (Rudzinski, W.; Steele, W. A.; Zgrablich, G., Equilibria and Dynamics of Gas Adsorption on Heterogeneous Solid Surfaces (1997), Elsevier: Elsevier Amsterdam)
[3] Tóth, J., Adsorption: Theory, Modeling, and Analysis (2002), Dekker: Dekker New York
[4] Keller, J.; Staudt, R., Gas Adsorption Equilibria: Experimental Methods and Adsorption Isotherms (2005), Springer: Springer Boston
[5] Mayagoitia, V.; Rojas, F.; Pereyra, V.; Zgrablich, G., Surf. Sci., 221, 394 (1989)
[6] Jobic, H., (Karge, H. G.; Weitkamp, J., Adsorption and Diffusion (2008), Springer-Verlag: Springer-Verlag Berlin, Heidelberg)
[7] Krapivsky, P. L.; Redner, S.; Ben-Naim, E., A Kinetic View of Statistical Physics (2010), Cambridge University Press: Cambridge University Press Cambridge, UK · Zbl 1235.82040
[8] Załuska-Kotur, M. A., Appl. Surf. Sci., 304, 122 (2014)
[9] Mińkowski, M.; Załuska-Kotur, M. A., Appl. Surf. Sci., 304, 81 (2014)
[10] Padilla, L.; Mártin, H. O.; Iguain, J. L., Phys. Rev. E, 82, 011124 (2010)
[11] Padilla, L.; Mártin, H. O.; Iguain, J. L., Phys. Rev. E, 86, 011106 (2012)
[12] Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C., Phys. Rev. Lett., 111, 110601 (2013)
[13] Ramirez-Pastor, A. J.; Nazzarro, M.; Riccardo, J. L.; Pereyra, V., Surf. Sci., 391, 267 (1997)
[14] Ramirez-Pastor, A. J.; Romá, F.; Aligia, A.; Riccardo, J. L., Langmuir, 16, 5100 (2000)
[15] Nieto, F.; Uebing, C., Ber. Bunsenges. Phys. Chem., 102, 974 (1998)
[16] Nieto, F.; Tarasenko, A. A.; Uebing, C., Europhys. Lett., 43, 558 (1998)
[17] Tarasenko, A. A.; Jastrabik, L.; Nieto, F.; Uebing, C., Phys. Rev. B, 59, 8252 (1999)
[18] Tarasenko, A. A.; Jastrabik, L.; Nieto, F.; Uebing, C., Phys. Chem. Chem. Phys., 1, 1583 (1999)
[19] Tarasenko, A. A.; Nieto, F.; Uebing, C., Phys. Chem. Chem. Phys., 1, 3437 (1999)
[20] Bulnes, F.; Pereyra, V.; Riccardo, J. L., Phys. Rev. E, 58, 86 (1998)
[21] Sapag, K.; Pereyra, V.; Riccardo, J. L.; Zgrablich, G., Surf. Sci., 295, 433 (1993)
[22] Sapag, K.; Bulnes, F.; Riccardo, J. L.; Pereyra, V.; Zgrablich, G., Langmuir, 9, 2670 (1993)
[23] Bulnes, F.; Pereyra, V.; Riccardo, J. L.; Zgrablich, G., J. Chem. Phys., 11, 5181 (1999)
[24] Steele, W. A., Langmuir, 15, 6083 (1999)
[25] Yang, M. X.; Gracias, D. H.; Jacobs, P. W.; Somorjai, G., Langmuir, 14, 1458 (1998)
[26] Lopinski, G. P.; Wayner, D. D.M.; Wolkow, R. A., Nature, 406, 48 (2000)
[27] Fishlock, T. W.; Pethica, J. B.; Eydell, R. G., Surf. Sci., 445, L47 (2000)
[28] Bulnes, F.; Nieto, F.; Pereyra, V.; Zgrablich, G.; Uebing, C., Langmuir, 15, 5990 (1999)
[29] Bulnes, F.; Ramirez-Pastor, A. J.; Zgrablich, G., J. Chem. Phys., 115, 1513 (2001)
[30] Bulnes, F.; Ramirez-Pastor, A. J.; Zgrablich, G., Phys. Rev. E, 65, 031603 (2002)
[31] Romá, F.; Bulnes, F.; Ramirez-Pastor, A. J.; Zgrablich, G., Phys. Chem. Chem. Phys., 5, 3694 (2003)
[32] Bulnes, F.; Ramirez-Pastor, A. J.; Zgrablich, G., Langmuir, 23, 1264 (2007)
[33] Centres, P. M.; Bulnes, F.; Zgrablich, G.; Ramirez-Pastor, A. J., Adsorption, 17, 403 (2011)
[34] Uebing, C.; Pereyra, V.; Zgrablich, G., Surf. Sci., 366, 185 (1996)
[35] Nieto, F.; Uebing, C.; Pereyra, V.; Faccio, R. J., Surf. Sci., 423, 256 (1999)
[36] Nieto, F.; Uebing, C., Physica A, 276, 215 (2000)
[37] Chvoj, Z.; Conrad, H.; Cháb, V.; Ondrejcek, M.; Bradshaw, A. M., Surf. Sci., 329, 121 (1995)
[38] Chvoj, Z.; Conrad, H.; Cháb, V., Surf. Sci., 352, 983 (1996)
[39] Chvoj, Z.; Conrad, H.; Cháb, V., Surf. Sci., 376, 205 (1997)
[40] Chvoj, Z.; Cháb, V.; Conrad, H., Surf. Sci., 426, 8 (1999)
[41] Chvoj, Z.; Conrad, H.; Cháb, V., Surf. Sci., 442, 455 (1999)
[42] Tarasenko, A.; Jastrabik, L.; Müller, T., Phys. Rev. B, 75, 085401 (2007)
[43] Tarasenko, A.; Jastrabik, L.; Müller, T., Phys. Rev. B, 76, 134201 (2007)
[44] Nicholson, D.; Parsonage, N. G., Computer Simulation and the Statistical Mechanics of Adsorption (1982), Academic Press: Academic Press London
[45] Metropolis, N.; Rosenbluth, A. W.; Rosenbluth, M. N.; Teller, A. H.; Teller, E., J. Chem. Phys., 21, 1087 (1953)
[46] Reed, D. A.; Erlich, G., Surf. Sci., 102, 588 (1981)
[47] Reed, D. A.; Erlich, G., Surf. Sci., 105, 603 (1981)
[48] Gomer, R., Rep. Progr. Phys., 53, 917 (1990)
This reference list is based on information provided by the publisher or from digital mathematics libraries. Its items are heuristically matched to zbMATH identifiers and may contain data conversion errors. It attempts to reflect the references listed in the original paper as accurately as possible without claiming the completeness or perfect precision of the matching.