skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

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.

Authors:
 [1]; ;  [2];  [1];  [3]
  1. Center for Quantum Devices, Niels Bohr Institute, University of Copenhagen, DK-2100 Copenhagen Ø (Denmark)
  2. Nano-Science Center and Department of Chemistry, University of Copenhagen, DK-2100 Copenhagen Ø (Denmark)
  3. Solid State Physics and Nanometer Structure Consortium (nmC-LU), Lund University, 221 00 Lund (Sweden)
Publication Date:
OSTI Identifier:
22395491
Resource Type:
Journal Article
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Volume: 105; Journal Issue: 23; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0003-6951
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; COUPLING; ELECTRIC CONTACTS; ELECTRIC CURRENTS; ENERGY LOSSES; HEAT TRANSFER; MOLECULAR STRUCTURE; PHONONS; SEMICONDUCTOR JUNCTIONS; THERMAL DIFFUSIVITY; THERMAL EFFLUENTS

Citation Formats

Kiršanskas, Gediminas, Mathematical Physics and Nanometer Structure Consortium, Li, Qian, Solomon, Gemma C., Flensberg, Karsten, and Leijnse, Martin. Designing π-stacked molecular structures to control heat transport through molecular junctions. United States: N. p., 2014. Web. doi:10.1063/1.4903340.
Kiršanskas, Gediminas, Mathematical Physics and Nanometer Structure Consortium, Li, Qian, Solomon, Gemma C., Flensberg, Karsten, & Leijnse, Martin. Designing π-stacked molecular structures to control heat transport through molecular junctions. United States. https://doi.org/10.1063/1.4903340
Kiršanskas, Gediminas, Mathematical Physics and Nanometer Structure Consortium, Li, Qian, Solomon, Gemma C., Flensberg, Karsten, and Leijnse, Martin. Mon . "Designing π-stacked molecular structures to control heat transport through molecular junctions". United States. https://doi.org/10.1063/1.4903340.
@article{osti_22395491,
title = {Designing π-stacked molecular structures to control heat transport through molecular junctions},
author = {Kiršanskas, Gediminas and Mathematical Physics and Nanometer Structure Consortium and Li, Qian and Solomon, Gemma C. and Flensberg, Karsten and Leijnse, Martin},
abstractNote = {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.},
doi = {10.1063/1.4903340},
url = {https://www.osti.gov/biblio/22395491}, journal = {Applied Physics Letters},
issn = {0003-6951},
number = 23,
volume = 105,
place = {United States},
year = {2014},
month = {12}
}