Possibilities for tuning electronic and optical properties of oligophenylenes by selected chemical influences
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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. (c) 2007 Published by Elsevier B.V.
Keywords:poly(p-phenylene) oligomers / electronic properties / optical properties / calculations
Source:Optical Materials, 2008, 30, 7, 1103-1108
- 1st International Conference on Physics of Optical Materials and Devices, Aug 31-Sep 02, 2006, Herceg Novi, Montenegro