Paolo Sebastiano Floris, Najmeh Zahabi, Igor Zozoulenko, Riccardo Rurali
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Anisotropic Lattice Thermal Conductivity in Highly Ordered PEDOT Fibers
When it comes to sustainable and efficient energy solutions, organic semiconductors can play an important role in thermoelectric applications, since they are non-toxic, cheap, made of abundant chemical species, and show intrinsically low thermal conductivities. Their electrical conductivity can be optimized via doping. Yet, thermal conduction should be as low as possible and, to this end, the atomic scale mechanisms behind heat transport –e.g. the correlation between morphology and thermal conductivity or the role of doping– should be understood in detail. Fully atomistic molecular dynamics calculations of the lattice thermal conductivity of doped poly(3,4-ethylenedioxythiophene) (PEDOT) highly ordered, quasi-crystalline nanofibers are presented here. It is found that the conductivity along the backbone direction is not necessarily the highest, but it depends on the length of the PEDOT chains, thus the degree of anisotropy depends on the the aspect ratio of the nanofiber. Indeed, transport along the lamellar direction can be of the same order or higher than that of the backbone if their lengths are comparable. These results challenge the usual expectation that thermal conduction along the backbone largely exceeds those along the lamellar and π − π direction and have the important consequence that the anisotropy could be leveraged in thermal management applications.
期刊介绍:
Macromolecular Materials and Engineering is the high-quality polymer science journal dedicated to the design, modification, characterization, processing and application of advanced polymeric materials, including membranes, sensors, sustainability, composites, fibers, foams, 3D printing, actuators as well as energy and electronic applications.
Macromolecular Materials and Engineering is among the top journals publishing original research in polymer science.
The journal presents strictly peer-reviewed Research Articles, Reviews, Perspectives and Comments.
ISSN: 1438-7492 (print). 1439-2054 (online).
Readership:Polymer scientists, chemists, physicists, materials scientists, engineers
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