Journal
PHYSICAL REVIEW B
Volume 84, Issue 4, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.84.041412
Keywords
-
Funding
- NSF [ECCS 0725566]
- FTP [274-08-0408]
- NSF through TeraGrid resource TACC Ranger [TG-DMR100002]
- Direct For Computer & Info Scie & Enginr
- Division Of Computer and Network Systems [0958512] Funding Source: National Science Foundation
Ask authors/readers for more resources
We propose thermoelectric devices where a single molecule is connected to two metallic zigzag graphene nanoribbons (ZGNRs) via highly transparent contacts that allow the injection of evanescent wave functions from ZGNRs. Their overlap generates a peak in the electronic transmission that is largely insensitive to the type of the short conjugated molecule, while ZGNRs additionally suppress hole-like contributions to the thermopower. Thus optimized thermopower, together with suppression of phonon transport through a ZGNR-molecule-ZGNR structure, yields the thermoelectric figure of merit ZT similar to 0.5 at room temperature and 0.5 < ZT < 2.5 below liquid nitrogen temperature. Using density functional theory combined with the nonequilibrium Green's function formalism for multiterminal devices, we show how the transmission resonance can be manipulated by the voltage applied to a third ZGNR top-gate electrode covering the molecule to further tune the value of ZT.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available