Molecular Films for Opto-Electronics
Abstract
Molecular dynamics computer simulations have been used to model monolayer and trilayer Langmuir-Blodgett films formed by model amphiphilic molecules. Several factors have been identified that control film structure and stability, thus giving insight into optimum molecular design. Head-groups and the substituent position of hydrocarbon chains should be designed to maximise the stability of layer-like packing. Molecular tilt is an important factor since it results in local structural defects and roughening of interfaces which could lead to formation of long range inhomogeneities. Numerical calculations of non- linear optical response have been performed for model LB films in which molecules are treated as rigid strings of beads to represent their size, shape and orientation. Interactions between molecules are obtained as planewise dipole sums which prove to be negligible except within a layer.
Document Details
- Document Type
- Technical Report
- Publication Date
- Sep 24, 1992
- Accession Number
- ADA258070
Entities
People
- J. O. Williams