Characterization of the chemistry that occurs at the Alq3/alkali metal halide heterointerface using quantum chemical analyses

Gary P. Kushto; Zakya H. Kafafi

doi:10.1117/12.457462

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27 February 2002 Characterization of the chemistry that occurs at the Alq₃/alkali metal halide heterointerface using quantum chemical analyses

Gary P. Kushto, Zakya H. Kafafi

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Proceedings Volume 4464, Organic Light-Emitting Materials and Devices V; (2002) https://doi.org/10.1117/12.457462
Event: International Symposium on Optical Science and Technology, 2001, San Diego, CA, United States

Abstract

Investigations into the lithium fluoride and cesium fluoride/tris(quinolin-8-olato) aluminum (LiF-Alq₃ or CsF-Alq₃) Lewis acid-Lewis base pairs have been undertaken using hybrid density functional calculations. The results of the calculations clearly show that there is a strong interaction that occurs between the metal fluoride and both the facial and the meridional isomers of Alq₃. This strong interaction has the effect of modifying the electronic structure of Alq₃ and can be thought of as the first step in the formation of the highly effective Alq₃/Metal Halide/Al electron injection contact.

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Gary P. Kushto and Zakya H. Kafafi "Characterization of the chemistry that occurs at the Alq₃/alkali metal halide heterointerface using quantum chemical analyses", Proc. SPIE 4464, Organic Light-Emitting Materials and Devices V, (27 February 2002); https://doi.org/10.1117/12.457462

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