27 February 2002 Characterization of the chemistry that occurs at the Alq3/alkali metal halide heterointerface using quantum chemical analyses
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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, Gary P. Kushto, Zakya H. Kafafi, 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); doi: 10.1117/12.457462; https://doi.org/10.1117/12.457462
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