Author: ["Tzu-Chun Tseng","Christian Urban","Yang Wang","Roberto Otero","Steven L. Tait","Manuel Alcamí","David Écija","Marta Trelka","José María Gallego","Nian Lin","Mitsuharu Konuma","Ulrich Starke","Alexei Nefedov","Alexander Langner","Christof Wöll","María Ángeles Herranz","Fernando Martín","Nazario Martín","Klaus Kern","Rodolfo Miranda"]
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Abstract
Organic/metal interfaces control the performance of many optoelectronic organic devices, including organic light-emitting diodes or field-effect transistors. Using scanning tunnelling microscopy, low-energy electron diffraction, X-ray photoemission spectroscopy, near-edge X-ray absorption fine structure spectroscopy and density functional theory calculations, we show that electron transfer at the interface between a metal surface and the organic electron acceptor tetracyano-p-quinodimethane leads to substantial structural rearrangements on both the organic and metallic sides of the interface. These structural modifications mediate new intermolecular interactions through the creation of stress fields that could not have been predicted on the basis of gas-phase neutral tetracyano-p-quinodimethane conformation. Interfaces between organic molecules and metal surfaces have a key role in determining the performance of many emerging technologies. Now an intensive experimental study — supported by calculations — of tetracyano-p-quinodimethane molecules on a copper surface, reveals structural rearrangement of both the organic molecules and the surface atoms after charge transfer across the interface. Cite this article
Tseng, TC., Urban, C., Wang, Y. et al. Charge-transfer-induced structural rearrangements at both sides of organic/metal interfaces. Nature Chem 2, 374–379 (2010). https://doi.org/10.1038/nchem.591 