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Tuning the thermal boundary resistance of organic hybrid materials studied by molecular dynamics simulation

pklc - Posted on 11 January 2017

Project Description: 

Thermal properties are key factors to influence the performance and lifetime of organic electronic devices, especially for scaled-up large area applications. This project mainly focuses on tuning the thermal boundary resistance of organic hybrid materials by use of LAMMPS.
1. Simulate thermal transport in organic/metal hybrid materials
2. Study thermal transport in organic/organic hybrid materials.

Research Project Details
Project Duration: 
08/2016 to 08/2017
Project Significance: 
When the organic device scale reduces to the nanoscale, thermal boundary conductance in different material interface plays an importance role in thermal transport of hybrid materials. We will change interface quality to control the thermal boundary conductance in organic hybrid materials, which can guide the thermal management in electronic device operation. We will use these simulations to compare our experimental results to bear on thermal management and thermoelectric applications for organic semiconductors.
Results Achieved: 
1. X. Y. Wang, J. C. Zhang, Y.C. Chen a P. K. L. Chan, "Molecular dynamics study of thermal transport in dinaphtho[2,3-b:2’,3’-f]thieno[3,2-b]thiophene (DNTT) organic semiconductor", Nanoscale, accepted.