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

Kirsanskas, Gediminas LU ; Li, Qian; Flensberg, Karsten; Solomon, Gemma C. and Leijnse, Martin (2014) In Applied Physics Letters 105(23).
Abstract
We propose and analyze a way of using pi 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... (More)
We propose and analyze a way of using pi 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. (C) 2014 AIP Publishing LLC. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Applied Physics Letters
volume
105
issue
23
publisher
American Institute of Physics
external identifiers
  • wos:000346266000075
  • scopus:84916198173
ISSN
0003-6951
DOI
10.1063/1.4903340
language
English
LU publication?
yes
id
4177cb66-a209-428c-ad0d-05b1a390606d (old id 4944585)
date added to LUP
2015-01-28 11:39:47
date last changed
2017-06-11 03:04:38
@article{4177cb66-a209-428c-ad0d-05b1a390606d,
  abstract     = {We propose and analyze a way of using pi 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. (C) 2014 AIP Publishing LLC.},
  articleno    = {233102},
  author       = {Kirsanskas, Gediminas and Li, Qian and Flensberg, Karsten and Solomon, Gemma C. and Leijnse, Martin},
  issn         = {0003-6951},
  language     = {eng},
  number       = {23},
  publisher    = {American Institute of Physics},
  series       = {Applied Physics Letters},
  title        = {Designing pi-stacked molecular structures to control heat transport through molecular junctions},
  url          = {http://dx.doi.org/10.1063/1.4903340},
  volume       = {105},
  year         = {2014},
}