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 Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

We study thermoelectric devices where a single 18-annulene molecule isconnected to metallic zigzag graphene nanoribbons (ZGNR) via highly transparentcontacts that allow for injection of evanescent wave functions from ZGNRs intothe molecular ring. Their overlap generates a peak in the electronictransmission, while ZGNRs additionally suppress hole-like contributions to thethermopower. Thus optimized thermopower, together with suppression of phonontransport through ZGNR-molecule-ZGNR structure, yield the thermoelectric figureof merit ZT ~ 0.5 at room temperature and 0.5 < ZT < 2.5 below liquid nitrogentemperature. Using the nonequilibrium Green function formalism combined withdensity functional theory, recently extended to multiterminal devices, we showhow the transmission resonance can also be manipulated by the voltage appliedto a third ZGNR electrode, acting as the top gate covering molecular ring, totune the value of ZT.

Multiterminal single-molecule--graphene-nanoribbon thermoelectric devices with gate-voltage tunable figure of merit ZT