Abstract
Molecular dynamics simulations of the pure and doped surfaces ofγ-Al2O3 were performed. Thermal behavior of both the D-layer of the (110) surface and the E-layer of the (001) surface was examined. An abrupt increase in mobility of surface ions was observed at high temperatures. An onset of diffusion occurs for the pure (110) surface at 1200 K. The instability is caused by the cation vacancies adjacent to the surface. Silicon and cerium ions deposited into the sub-surface vacancies reduce the mobility of the surface ions and prevent the onset of diffusion, cerium being more efficient in stabilization than silicon. This forms a microscopic picture of the role of additives in the stabilization of theγ-Al2O3 surfaces.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
W.G. Schlaffer, C.Z. Morgan and J.N. Wilson, J. Phys. Chem. 61 (1957) 714.
M. Pijolat, M. Dauzat and M. Soustelle, Solid State Ionics 50 (1992) 31.
S. Blonski and S.H. Garofalini, Surf. Sci. 295 (1993) 263.
D.M. Zirl and S.H. Garofalini, J. Am. Ceram. Soc. 75 (1992) 2353.
H. Knözinger and P. Ratnasamy, Catal. Rev.-Sci. Eng. 17 (1978) 31.
G.C. van Leerdam, J.-P. Jacobs and H.H. Brongersma, Surf. Sci. 268 (1992) 45.
S. Blonski and S.H. Garofalini, Chem. Phys. Lett. 211 (1993) 575.
L.J. Alvarez, J.F. Sanz, M.J. Capitán and J.A. Odriozola, Catal. Lett. 21 (1993) 89.
L.J. Alvarez, J.F. Sanz, M.J. Capitán and J.A. Odriozola, Chem. Phys. Lett. 192 (1992) 463.
Author information
Authors and Affiliations
Additional information
On leave from the Department of Applied Physics, Technical University of Gdansk, Poland.
Rights and permissions
About this article
Cite this article
Blonski, S., Garofalini, S.H. Stabilization of γ-Al2O3 surfaces by additives: insights from computer simulations. Catal Lett 25, 325–336 (1994). https://doi.org/10.1007/BF00816312
Received:
Accepted:
Issue Date:
DOI: https://doi.org/10.1007/BF00816312