Selective Transmission of Phonons in Molecular Junctions with Nanoscopic Thermal Baths
Sandonas LM, Mendez AR, Gutierrez R, Ugalde JM, Mujica V, Cuniberti G (2019)
Publication Type: Journal article
Publication year: 2019
Journal
Book Volume: 123
Pages Range: 9680-9687
Journal Issue: 15
Abstract
A fundamental problem for thermal energy harvesting is the development of atomistic design strategies for smart nanodevices and nanomaterials that can be used to selectively transmit heat. We carry out here an extensive computational study demonstrating that heterogeneous molecular junctions, consisting of molecular wires bridging two different nanocontacts, can act as a selective phonon filter. The most important finding is the appearance of gaps on the phonon transmittance spectrum, which are strongly correlated to the properties of the vibrational spectrum of the specific molecular species in the junction. The filtering effect results from a delicate interplay between the intrinsic vibrational structure of the molecular chains and the different Debye cutoffs of the nanoscopic electrodes used as thermal baths.
Involved external institutions
Technische Universität Dresden
Germany (DE)
University of Basque Country / Universidad del Pais Vasco (UPV) / Euskal Herriko Unibersitatea (EHU)
Spain (ES)
Donostia International Physics Center (DIPC)
Spain (ES)
Germany (DE)
University of Basque Country / Universidad del Pais Vasco (UPV) / Euskal Herriko Unibersitatea (EHU)
Spain (ES)
Donostia International Physics Center (DIPC)
Spain (ES)
How to cite
APA:
Sandonas, L.M., Mendez, A.R., Gutierrez, R., Ugalde, J.M., Mujica, V., & Cuniberti, G. (2019). Selective Transmission of Phonons in Molecular Junctions with Nanoscopic Thermal Baths. Journal of Physical Chemistry C, 123(15), 9680-9687. https://doi.org/10.1021/acs.jpcc.8b11879
MLA:
Sandonas, Leonardo Medrano, et al. "Selective Transmission of Phonons in Molecular Junctions with Nanoscopic Thermal Baths." Journal of Physical Chemistry C 123.15 (2019): 9680-9687.
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