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arXiv · 0810.4862

Strongly reshaped organic-metal interfaces: Tetracyanoethylene on Cu(100)

Stéphane Bedwani·Daniel Wegner·Michael F. Crommie·Alain Rochefort
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Abstract

The interaction of the strong electron-acceptor tetracyanoethylene (TCNE) with the Cu(100) surface has been studied with scanning tunneling microscopy experiments and first-principles density functional theory calculations. We compare two different adsorption models with the experimental results and show that the molecular self-assembly is caused by a strong structural modification of the Cu(100) surface rather than the formation of a coordination network by diffusing Cu adatoms. Surface atoms become highly buckled and the chemisorption of TCNE is accompanied by a partial charge-transfer.

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Stéphane Bedwani, Daniel Wegner, Michael F. Crommie, Alain Rochefort. 2008-10-27. Strongly reshaped organic-metal interfaces: Tetracyanoethylene on Cu(100). https://doi.org/10.1103/physrevlett.101.216105

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