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Published in 2017 at "Journal of Chemical Physics"
DOI: 10.1063/1.4982926
Abstract: Computer simulations of N2 adsorption on graphite frequently use the 10-4-3 equation with Steele’s molecular parameters to describe the dispersive-repulsive interaction between a molecule and graphite. This model assumes that graphite is a uniformly homogeneous…
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Keywords:
improved model;
adsorption graphitic;
graphene;
model adsorption ... See more keywords