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Two-dimensional topologies and clustering on zeolite surfaces. A Monte Carlo study

Authors
Journal
Chemical Physics Letters
0009-2614
Publisher
Elsevier
Publication Date
Volume
197
Issue
6
Identifiers
DOI: 10.1016/0009-2614(92)85823-s
Disciplines
  • Computer Science
  • Mathematics

Abstract

Abstract Monte Carlo simulations were carried out to investigate the clustering of adatoms on zeolite surfaces. The zeolite surface is built up by repeated template which models the smallest building unit. The movement of each adatom is then monitored by a random walk algorithm. Lateral interactions beyond nearest-neighbor interactions are considered. Eight types of zeolite surfaces were used to demonstrate the influence of pore size and topology on the clustering rate. Zeolite with larger pore size is found to have a lower clustering rate. Higher symmetry of zeolite surface topology instead leads to a higher clustering rate.

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