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Three-State Lattice-Gas Model of H-S on Pt(111)

Published online by Cambridge University Press:  28 February 2011

Per Arne Rikvold ,
Joseph B. Collins ,
G. D. Hansen ,
J. D. Gunton  and
E. T. Gawlinski
Per Arne Rikvold
Affiliation:
Department of Physics, Florida State University, Tallahassee, FL 32306-3016
Joseph B. Collins
Affiliation:
Department of Physics and Center for Advanced Computational Science, Temple University, Philadelphia, PA 19122
G. D. Hansen
Affiliation:
ChemLink Industrial/Petroleum Chemicals Division, Malvem, PA 19355
J. D. Gunton
Affiliation:
Department of Physics and Center for Advanced Computational Science, Temple University, Philadelphia, PA 19122
E. T. Gawlinski
Affiliation:
Department of Physics and Center for Advanced Computational Science, Temple University, Philadelphia, PA 19122
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Abstract

We consider a three-state lattice-gas with nearest-neighbor interactions on a triangular lattice as a model for multicomponent chemi- and physisorption. By varying the lateral interaction constants between the adsorbate particles, this model can be made to exhibit either enhanced adsorption or poisoning (inhibited adsorption). We discuss here the conditions on the interaction constants that lead to poisoning. We present the results of a ground-state calculation and detailed numerical study of the phase diagram for a set of interactions that exhibits poisoning. We calculate the phase diagrams and adsorption isotherms by the finite-size scaling transfer-matrix method. We consider the result as a simple model for the coadsorption of Sulphur and Hydrogen on a Platinum (111) surface, with interaction constants estimated from experimental data. The resulting adsorption isotherms are in good agreement with experimental results.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 111: Symposium O – Microstructure and Properties of Catalysts , 1987 , 249
Copyright
Copyright © Materials Research Society 1988

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