作者
Gerold M Rangger, Oliver T Hofmann, Lorenz Romaner, Georg Heimel, Benjamin Bröker, Ralf-Peter Blum, Robert L Johnson, Norbert Koch, Egbert Zojer
发表日期
2009/4/15
期刊
Physical Review B—Condensed Matter and Materials Physics
卷号
79
期号
16
页码范围
165306
出版商
American Physical Society
简介
Metal work-function modification with the help of organic acceptors is an efficient tool to significantly enhance the performance of modern state-of-the-art organic molecular electronic devices. Here, the prototypical organic acceptor 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane, F4TCNQ, is characterized on Ag(111), Au(111), and Cu(111) metal surfaces by means of density-functional theory calculations. Particular attention is paid to charge-transfer processes at the metal-organic interface; a subtle balance between charge forward and backward donations in combination with a strong adsorption-induced geometry change are found to be responsible for the observed increase in the system work function. A larger effect is obtained for the metals with larger initial work function. Interestingly, this results in similar charge-injection barriers from the substrate metal into an organic semiconductor deposited on top of …
引用总数
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学术搜索中的文章
GM Rangger, OT Hofmann, L Romaner, G Heimel… - Physical Review B—Condensed Matter and Materials …, 2009