Article ID Journal Published Year Pages File Type
1497328 Optical Materials 2008 6 Pages PDF
Abstract
Using semi-empirical quantum mechanic and ab initio Hartree-Fock (HF) calculations, we investigated changes induced by doping and addition of side-atoms and groups of P2P-P6P oligophenylenes structure, electronic and optical properties. The results are compared to the existing experimental data and results of similar calculations, and the possible implications for the oligophenylenes-based materials applications have been discussed.
Related Topics
Physical Sciences and Engineering Materials Science Ceramics and Composites
Authors
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