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Model for triplet state engineering in organic light emitting diodes

Prodhan, Suryoday and Soos, Zoltan G and Ramasesha, S (2014) Model for triplet state engineering in organic light emitting diodes. In: JOURNAL OF CHEMICAL PHYSICS, 140 (21).

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Official URL: http://dx.doi.org/10.1063/1.4880276


Engineering the position of the lowest triplet state (T-1) relative to the first excited singlet state (S-1) is of great importance in improving the efficiencies of organic light emitting diodes and organic photovoltaic cells. We have carried out model exact calculations of substituted polyene chains to understand the factors that affect the energy gap between S-1 and T-1. The factors studied are backbone dimerisation, different donor-acceptor substitutions, and twisted geometry. The largest system studied is an 18 carbon polyene which spans a Hilbert space of about 991 x 10(6). We show that for reverse intersystem crossing process, the best system involves substituting all carbon sites on one half of the polyene with donors and the other half with acceptors. (C) 2014 AIP Publishing LLC.

Item Type: Journal Article
Additional Information: Copyright for this article belongs to the AMER INST PHYSICS, CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 17 Jul 2014 05:46
Last Modified: 17 Jul 2014 05:46
URI: http://eprints.iisc.ac.in/id/eprint/49412

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