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/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

We analyze how functionality could be obtained within single-molecule devicesby using a combination of non-equilibrium Green's functions and ab-initiocalculations to study the inelastic transport properties of single-moleculejunctions. First we apply a full non-equilibrium Green's function technique toa model system with electron-vibration coupling. We show that the features inthe inelastic electron tunneling spectra (IETS) of the molecular junctions arevirtually independent of the nature of the molecule-lead contacts. Since thecontacts are not easily reproducible from one device to another, this is a veryuseful property. The IETS signal is much more robust versus modifications atthe contacts and hence can be used to build functional nanodevices. Second, weconsider a realistic model of a organic conjugated molecule. We use ab-initiocalculations to study how the vibronic properties of the molecule can becontrolled by an external electric field which acts as a gate voltage. Thecontrol, through the gate voltage, of the vibron frequencies and (moreimportantly) of the electron-vibron coupling enables the construction offunctionality: non-linear amplification and/or switching is obtained from theIETS signal within a single-molecule device.

Functionality in single-molecule devices: Model calculations and applications of the inelastic electron tunneling signal in molecular junctions