Designing pi-stacked molecular structures to control heat transport through molecular junctions
(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)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/4944585
- author
- Kirsanskas, Gediminas LU ; Li, Qian ; Flensberg, Karsten ; Solomon, Gemma C. and Leijnse, Martin LU
- organization
- publishing date
- 2014
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Applied Physics Letters
- volume
- 105
- issue
- 23
- article number
- 233102
- publisher
- American Institute of Physics (AIP)
- 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
- 2016-04-01 10:04:34
- date last changed
- 2023-11-09 11:08:58
@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.}},
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 (AIP)}},
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}},
doi = {{10.1063/1.4903340}},
volume = {{105}},
year = {{2014}},
}