Work

Designing π-stacked molecular structures to control heat transport through molecular junctions

Year: 2014

Type: article

Abstract: We propose and analyze a way of using π stacking to design molecular junctions that either enhance or suppress a phononic heat current, but at the same time remain conductors for an electric current. Such functionality is highly desirable in thermoelectric energy converters, as well as in other electronic components where heat dissipation should be minimized or maximized. We suggest a molecular design consisting of two masses coupled to each other with one mass coupled to each lead. By having a small coupling (spring constant) between the masses, it is possible to either reduce or perhaps more surprisingly enhance the phonon conductance. We investigate a simple model system to identify optimal parameter regimes and then use first principle calculations to extract model parameters for a number of specific molecular realizations, confirming that our proposal can indeed be realized using standard molecular building blocks.

Source: Applied Physics Letters

DOI: 10.1063/1.4903340

Authors: Gediminas Kiršanskas, Qian Li, Karsten Flensberg, Gemma C. Solomon, Martin Leijnse

Institutions: University of Copenhagen, Lund University

Language: English

Topic: Thermal properties of materials

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funders: Danmarks Grundforskningsfond, Svenska Forskningsrådet Formas, Danmarks Frie Forskningsfond, Seventh Framework Programme

Award: G4764733723