期刊
PHYSICAL REVIEW LETTERS
卷 101, 期 21, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.101.216105
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资金
- Natural Sciences and Engineering Research Council of Canada (NSERC)
- U. S. National Science Foundation through NSF NIRT [ECS-0609469]
- Fonds Quebecois de la Recherche sur la Nature et les Technologies (FQRNT)
- Alexander von Humboldt Foundation
The interaction of the strong electron-acceptor tetracyanoethylene with the Cu(100) surface is 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 tetracyanoethylene is accompanied by a partial charge transfer.
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