Affiliation:
1. Vinča Institute of Nuclear Sciences
Abstract
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.
Publisher
Trans Tech Publications, Ltd.
Subject
Mechanical Engineering,Mechanics of Materials,Condensed Matter Physics,General Materials Science
Cited by
2 articles.
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