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STM fingerprint of molecule-adatom interactions in a self-assembled metal-organic surface coordination network on Cu(111)

Bjork, Jonas and Matena, Manfred and Dyer, Matthew S. and Enache, Mihaela and Lobo-Checa, Jorge and Gade, Lutz H. and Jung, Thomas A. and Stohr, Meike and Persson, Mats. (2010) STM fingerprint of molecule-adatom interactions in a self-assembled metal-organic surface coordination network on Cu(111). Physical Chemistry, Chemical Physics, 12 (31). pp. 8815-8821.

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Official URL: http://edoc.unibas.ch/43507/

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Abstract

A novel approach of identifying metal atoms within a metal-organic surface coordination network using scanning tunnelling microscopy (STM) is presented. The Cu adatoms coordinated in the porous surface network of 1,3,8,10-tetraazaperopyrene (TAPP) molecules on a Cu(111) surface give rise to a characteristic electronic resonance in STM experiments. Using density functional theory calculations, we provide strong evidence that this resonance is a fingerprint of the interaction between the molecules and the Cu adatoms. We also show that the bonding of the Cu adatoms to the organic exodentate ligands is characterised by both the mixing of the nitrogen lone-pair orbitals of TAPP with states on the Cu adatoms and the partial filling of the lowest unoccupied molecular orbital (LUMO) of the TAPP molecule. Furthermore, the key interactions determining the surface unit cell of the network are discussed.
Faculties and Departments:05 Faculty of Science > Departement Physik > Physik
05 Faculty of Science > Departement Physik > Physik > Nanomechanik (Meyer)
UniBasel Contributors:Jung, Thomas A.
Item Type:Article, refereed
Article Subtype:Research Article
Publisher:Royal Society of Chemistry
ISSN:1463-9076
Note:Publication type according to Uni Basel Research Database: Journal article
Identification Number:
Last Modified:05 Dec 2016 13:00
Deposited On:04 Jul 2016 09:08

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