English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Zendy Open

Presents the pdf analysis as premium feature

PDF Analysis

Insights

Presents the summarisation as premium feature

Summarisation

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the zaia usage as premium feature

ZAIA

Zendy Tools

Zendy Plus

Presents the access of premium content as premium feature

Premium Content

We present a fast and efficient tight-binding (TB) method for simulatingscanning tunneling microscopy (STM) imaging of adsorbate molecules on ultrathininsulating films. Due to the electronic decoupling of the molecule from themetal surface caused by the presence of the insulating overlayer, the STMimages of the frontier molecular orbitals can be simulated using a veryefficient scheme, which also enables the analysis of phase shifts in the STMcurrent. Au-pentacene complex adsorbed on a NaCl bilayer on Cu substrateprovides an intricate model system, which has been previously studied bothexperimentally and theoretically. Our calculations indicate that thecomplicated shape of the molecular orbitals may cause multivalued constantcurrent surfaces -- leading to ambiguity of the STM image. The results obtainedusing the TB method are found to be consistent with both DFT calculations andexperimental data.

STM Simulation of Molecules on Ultrathin Insulating Overlayers Using Tight-Binding: Au-Pentacene on NaCl bilayer on Cu