• Chen, Antao
• Liao, Yi
• Robinson, Bruce H.
• Sullivan, Philip
• Dalton, Larry R.
• Eichinger, Bruce

Abstract

The performance of organic electro-optic, optoelectronic, electronic, and photonic materials and devices and the critical phenomena of electric-field-induced charge displacement and transport depend on the intra- and intermolecular positioning of π-electron orbitals. Intermolecular electrostatic interactions play a critical role in defining nanoscopic order of π-electron chromophores existing in supra- and supermolecular assemblies. Pseudo-atomistic Monte Carlo calculations are employed to investigate the organization, under the influence of applied electric poling fields, of π-electron chromophores existing as covalently-incorporated components of single-chromophore-containing dendrimers, multi-chromophore-containing dendrimers, or dendronized polymers or doped into such material lattices. Conditions for which intermolecular electrostatic interactions act to augment poling-induced noncentrosymmetric order are described. Several different categories of nanostructured materials are shown to yield electro-optic activities greater than 300 pm/V, an order of magnitude greater than lithium niobate. Quantum mechanical calculations are also shown to be useful in guiding the improvement of electro-optic activity through the improvement of molecular first hyperpolarizability, β. Further improvements in β values may lead to electro-optic activities greater than 1000 pm/V at telecommunication wavelengths. Improvement of auxiliary properties and the performance of prototype devices fabricated from new materials is also briefly discussed. © 2006 Old City Publishing, Inc.

Topics

• impedance spectroscopy
• polymer
• Lithium
• dendrimer