Lateral adsorption geometry and site-specific electronic structure of a large organic chemisorbate on a metal surface

被引：121

作者：

Kraft, A.

Temirov, R.

Henze, S. K. M.

Soubatch, S.

Rohlfing, M.

Tautz, F. S. ^{[1
]}

机构：

[1] Int Univ Bremen, Sch Engn & Sci, D-28725 Bremen, Germany

[2] Univ Osnabruck, Fachbereich Phys, D-49074 Osnabruck, Germany

来源：

PHYSICAL REVIEW B | 2006年 / 74卷 / 04期

关键词：

D O I：

10.1103/PhysRevB.74.041402

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A combined study of scanning tunneling microscopy (STM) and density functional theory (DFT) reveals that 3,4,9,10-perylene-tetracarboxylic-dianhydride (PTCDA) adsorbs on Ag(111) at bridge sites in two nonequivalent orientations, one nearly aligned with the [10 (1) over bar] substrate axis and the other 18 degrees misaligned. Site-specific spectroscopy reveals that molecules in the two configurations exhibit subtle differences in their electronic structure. DFT-based STM simulations trace these back to the influence of distinct local adsorption geometries on the chemical molecule-substrate and molecule-molecule interactions.

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页数：4

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