Rational design and synthesis of semi-conducting polymers.
Conference
·
OSTI ID:1038991
A rational approach was used to design polymeric materials for thin-film electronics applications, whereby theoretical modeling was used to determine synthetic targets. Time-dependent density functional theory calculations were used as a tool to predict the electrical properties of conjugated polymer systems. From these results, polymers with desirable energy levels and band-gaps were designed and synthesized. Measurements of optoelectronic properties were performed on the synthesized polymers and the results were compared to those of the theoretical model. From this work, the efficacy of the model was evaluated and new target polymers were identified.
- Research Organization:
- Sandia National Laboratories (SNL), Albuquerque, NM, and Livermore, CA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 1038991
- Report Number(s):
- SAND2010-8785C; TRN: US201209%%98
- Resource Relation:
- Conference: Proposed for presentation at the Pacifichem Conference held December 15-20, 2010 in Honolulu, HI.
- Country of Publication:
- United States
- Language:
- English
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