Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5363018 | Applied Surface Science | 2010 | 7 Pages |
Abstract
Electronic structure of the interface between a bathocuproine (BCP) molecule and metal surface was studied by density functional theory. The bond energy of BCP with metal surface increased with decreasing work function of metals, that is, Au, Ag, Al, Mg, and Ca in this order. The charge transfer also increased with decreasing metal work function. It was analyzed that the Fermi level and the lowest unoccupied molecular orbital of BCP are composed of both BCP and metal orbital component, and electron transport properties across the BCP and metal is discussed based on these analyses.
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Authors
Mahesh Datt Bhatt, Shugo Suzuki, Takeaki Sakurai, Katsuhiro Akimoto,