Impact of bidirectional charge transfer and molecular distortions on the electronic structure of a metal-organic interface
Impact of bidirectional charge transfer and molecular distortions on the electronic structure of a metal-organic interface
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DOI：
10.1103/physrevlett.99.256801
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发表时间：
2007-12-21
影响因子：
8.6
通讯作者：
Zojer, Egbert
中科院分区：
文献类型：
--
作者：
Romaner, Lorenz;Heimel, Georg;Zojer, Egbert
Interface energetics are of fundamental importance in organic and molecular electronics. By combining complementary experimental techniques and first-principles calculations, we resolve the complex interplay among several interfacial phenomena that collectively determine the electronic structure of the strong electron acceptor tetrafluoro-tetracyanoquinodimethane chemisorbed on copper. The combination of adsorption-induced geometric distortion of the molecules, metal-to-molecule charge transfer, and molecule-to-metal back transfer leads to a net increase of the metal work function.
