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

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] ; ;  [3] ;  [1] ;  [4]
  1. Center for Quantum Devices, Niels Bohr Institute, University of Copenhagen, DK-2100 Copenhagen Ø (Denmark)
  2. (nmC-LU), Lund University, Box 118, 221 00 Lund (Sweden)
  3. Nano-Science Center and Department of Chemistry, University of Copenhagen, DK-2100 Copenhagen Ø (Denmark)
  4. Solid State Physics and Nanometer Structure Consortium (nmC-LU), Lund University, 221 00 Lund (Sweden)
Publication Date:
OSTI Identifier:
22395491
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 105; Journal Issue: 23; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
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