Paschke, Fabian and Lieske, Leonard-Alexander and Albrecht, Florian and Chen, C. Julian and Repp, Jascha and Gross, Leo (2025) Distance and Voltage Dependence of Orbital Density Imaging Using a CO-Functionalized Tip in Scanning Tunneling Microscopy. ACS NANO, 19 (2). pp. 2641-2650. ISSN 1936-0851, 1936-086X
Full text not available from this repository. (Request a copy)Abstract
The appearance of frontier molecular ion resonances measured with scanning tunneling microscopy (STM)-often referred to as orbital density images-of single molecules was investigated using a CO-functionalized tip in dependence on bias voltage and tip-sample distance. As model systems, we studied pentacene and naphthalocyanine on bilayer NaCl on Cu(111). Absolute tip-sample distances were determined by means of atomic force microscopy (AFM). STM imaging revealed a transition from predominant p- to s-wave tip contrast upon increasing the tip-sample distance, but the contrast showed only small changes as a function of voltage. The distance-dependent contrast change is explained with the steeper decay of the tunneling matrix element for tunneling between two p-wave centers, compared to tunneling between two s-wave centers. In simulations with a fixed ratio of s- to p-wave tip states, we can reproduce the experimental data including the distance-dependent transition from predominant p- to s-wave tunneling contribution.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | ON-SURFACE SYNTHESIS; SINGLE-MOLECULE; scanning tunnelingmicroscopy; CO-tip functionalization; single molecules; atomic force microscopy; Bardeen's tunnelingtheory; density functional theory |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Experimental and Applied Physics > Group Jascha Repp |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 10 Jun 2026 05:31 |
| Last Modified: | 10 Jun 2026 05:31 |
| URI: | https://pred.uni-regensburg.de/id/eprint/66909 |
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