TITLE

Trapping of guests in a rare gas matrix: A molecular dynamics simulation

AUTHOR(S)
Fraenkel, Ruchama; Haas, Yehuda
PUB. DATE
March 1994
SOURCE
Journal of Chemical Physics;3/15/1994, Vol. 100 Issue 6, p4324
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
A molecular dynamics simulation of the trapping of a guest molecule in a rare gas matrix deposition is presented. Using Lennard-Jones pairwise potentials, the shape and size of trapping sites are seen to depend on the preparation conditions, particularly the temperature and the cooling rate. The proper way to obtain a defect-free matrix is by depositing at temperatures that are somewhat lower than the annealing temperature.
ACCESSION #
7642830

 

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