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Modeling of mechanisms of Formation of Quasi-Epitaxial Organic Interfaces

Published online by Cambridge University Press:  15 February 2011

Yajiong Zhang  and
S. R. Forrest
Yajiong Zhang
Affiliation:
Advanced Technology Center for Photonics and Optoelectronics Materials (ATC/POEM), Department of Electrical Engineering, Princeton University, Princeton, NJ08544
S. R. Forrest
Affiliation:
Advanced Technology Center for Photonics and Optoelectronics Materials (ATC/POEM), Department of Electrical Engineering, Princeton University, Princeton, NJ08544
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Abstract

We introduce a model to calculate the static equilibrium configuration between two monolayers of large, planar organic molecules bonded by van der Waals (vdW) forces. The Model significantly simplifies analysis by replacing the conventional atom-atom potential summation with a single ellipsoidal potential centered in the molecular plane. Our results indicate that recent observations of crystalline “quasi-epitaxial” growth of these planar molecular films in ultrahigh vacuum results from the relatively large intralayer elasticity as compared to the small interlayer stress. Good agreement between calculated and observed structures is achieved using no adjustable parameters. The Model is used to predict molecular structures which are likely to form quasi-epitaxial layers. Quasi-epitaxy is a general feature of large planar molecules of similar shape and size in adlayers and substrates where there is comparatively weak vdW bonding between layers.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 317: Symposium B – Mechanisms of Thin Film Evolution , 1993 , 275
Copyright
Copyright © Materials Research Society 1994

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References

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