Permanent URL to this publication: http://dx.doi.org/10.5167/uzh-36018
Auwarter, W; Seufert, K.; Klappenberger, F; Reichert, J; Weber-Bargioni, A; Verdini, A; Cvetko, D; Dell'Angela, M; Floreano, L; Cossaro, A.; Bavdek, G; Morgante, A; Seitsonen, A P; Barth, J V (2010). Site-specific electronic and geometric interface structure of Co-tetraphenyl-porphyrin layers on Ag(111). Physical Review. B, Condensed Matter and Materials Physics, 81(24):245403.
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We present a combined multimethod experimental and theoretical study of the geometric and electronic properties of Co-tetraphenyl-porphyrin (Co-TPP) molecules adsorbed on a Ag(111) surface. Scanning tunneling microscopy (STM) topographs reveal that Co-TPP forms highly regular arrays with a square unit cell. Hereby, the Co-TPP molecules do not occupy a unique adsorption site on the Ag(111) atomic lattice. The central Co atom of the Co-TPP is found to reside predominantly above fcc and hcp hollow sites of the substrate, as determined from the photoelectron diffraction patterns. A strong adsorption-induced deformation of Co-TPP involving a saddle-shaped macrocycle is evidenced by high-resolution STM images and quantified by near-edge x-ray absorption fine-structure measurements. By scanning tunneling spectroscopy we resolved discrete molecular electronic states and mapped the pertaining spatial charge-density distribution. Specifically, we discuss the interaction of orbitals originating from the Co-metal center with the porphyrin macrocycle and show that the varying adsorption sites induce a modulation in the Co-TPP lowest unoccupied molecular orbital. These findings are corroborated by density-functional-theory calculations.
|Item Type:||Journal Article, refereed, original work|
|Communities & Collections:||07 Faculty of Science > Institute of Physical Chemistry|
|Deposited On:||23 Dec 2010 11:19|
|Last Modified:||28 Nov 2013 01:23|
|Publisher:||American Physical Society|
|Free access at:||Related URL. An embargo period may apply.|
|Citations:||Web of Science®. Times cited: 33|
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