Changes in structure and properties of oligophenylenes under selected external influences
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Effects induced by uniaxial compression and external electric field in P2P to P6P oligophenylene molecules are investigated by versatile calculations. In this way some useful relations between particular values of compression or field directions and intensities to specific changes in molecular structure and properties have been established, enabling estimation of possibilities for tuning the materials characteristics and their spectroscopic analyses. The results are compared to the existing experimental data and similar calculations, and some consequences for applications of oligophenylenes-based materials are discussed.
Keywords:calculations / compression and electric field dependences / electronic and vibrational properties / morphology / phenylene oligomers
Source:Materials Science Forum, 2007, 555, 509-+
- Ministry of Science and Environmental Protection of the Republic ofSerbia [141009B]
- Research Trends in Contemporary Materials Science, 8th Conference of the Yugoslav-Materials-Research-Society (Yu-MRS), Sep 04-08, 2006, Herceg Novi, Montenegro