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Characterization of Thermal Transport in One-dimensional Solid Materials
Published on: January 26, 2014
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Thermalization and Thermal Transport in Molecules.
Hari Datt Pandey1, David M Leitner1
1Department of Chemistry and Chemical Physics Program, University of Nevada , Reno, Nevada 89557, United States.
The Journal of Physical Chemistry Letters
|December 16, 2016
Summary
Thermal transport in molecular junctions is affected by molecule length and substrate bonding. Fluorination can add resistance, and quantum effects like many-body localization (MBL) influence thermalization rates.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Nanotechnology
Background:
- Thermal transport in molecular junctions is crucial for nanoscale devices.
- Thermalization length and substrate bonding significantly influence thermal resistance in alkane chains.
- The mechanism of thermal resistance introduced by fluorination in molecular junctions remains unclear.
Purpose of the Study:
- To investigate thermal transport mechanisms in alkane and perfluoroalkane molecular junctions.
- To examine the role of quantum effects, including many-body localization (MBL), in molecular thermalization.
- To determine the length over which thermalization occurs and its impact on thermal conductance.
Main Methods:
- Quantum-mechanical calculations of elastic and inelastic scattering rates.
- Analysis of thermalization length and thermal conductance in molecular junctions.
- Examination of the contribution of many-body localization (MBL) to thermalization.
Main Results:
- Thermal resistance in alkane junctions is primarily governed by substrate bonding.
- Fluorination introduces molecular thermal resistance, with quantum effects playing a role in thermalization.
- Many-body localization (MBL), while not occurring due to dephasing, can lead to excessively slow thermalization.
Conclusions:
- Quantum effects significantly influence thermalization rates and thermal transport in molecular junctions.
- The slow thermalization observed in molecules exhibiting MBL limits the establishment of local temperature.
- Classical molecular simulations have limitations in accurately modeling thermal transport in these systems.
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