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.
@article{arxiv.0810.4862,
title = {Strongly reshaped organic-metal interfaces: Tetracyanoethylene on Cu(100)},
author = {Stéphane Bedwani and Daniel Wegner and Michael F. Crommie and Alain Rochefort},
journal= {arXiv preprint arXiv:0810.4862},
year = {2008}
}
Comments
4 pages, 3 figures, to appear in Physical Review Letters