The organic-cathode interface in Alq3-based organic light-emitting devices:: new insights from ab-initio molecular dynamics

被引:13
作者
Curioni, A [1 ]
Andreoni, W [1 ]
机构
[1] IBM Res Corp, Zurich Res Lab, CH-8803 Ruschlikon, Switzerland
关键词
Alq(3)-metal interfaces; organic light-emitting devices; Car-Parrinello molecular dynamics;
D O I
10.1016/S0379-6779(99)00451-8
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
A brief summary is given of a recent study of Alq(3) (tris(8-hydroxyquinolino)aluminum) (Alq(3))-metal interfaces using density-functional-theory-based molecular dynamics. The systems simulated are the organic molecule interacting with lithium, aluminum and calcium surfaces as well as with individual metal atoms. Structural and bonding properties as well as electronic spectra reveal clear differences between the three cases as well as common features. (C) 2000 Published by Elsevier Science S.A. All rights reserved.
引用
收藏
页码:299 / 301
页数:3
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