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Realizing Ultralow Energetic Disorder and High Thermoelectric Performances via Nanoscale Polymer Packing Control.

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  • 1State Key Laboratory of Advanced Waterproof Materials, School of Materials Science and Engineering, Peking University, Beijing 100871, China.

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Summary

Disorders in conjugated polymers impact charge transport. This study reveals nanoscale packing structures, not backbone angles, cause these disorders, impacting thermoelectric properties.

Keywords:
charge transportconjugated polymersenergetic disordersnanoscale polymer packingorganic thermoelectrics

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Area of Science:

  • Materials Science
  • Polymer Science
  • Solid-State Physics

Background:

  • Charge transport and thermoelectric properties of conjugated polymers depend on solid-state energetic disorders.
  • Existing research often attributes these disorders to dihedral angle rotations in the polymer backbone.

Purpose of the Study:

  • To investigate charge transport and thermoelectric properties of two isomeric polymers with rigid backbones.
  • To identify the origin of energetic disorders and traps in conjugated polymers.

Main Methods:

  • Utilized multiple characterization techniques.
  • Performed molecular simulations.
  • Investigated two isomeric polymers with similar ultralow charge transport activation energies.

Main Results:

  • Identified significant differences in charge transport properties between the two isomeric polymers.
  • P(PzDPP-Pz) exhibited a high n-type thermoelectric power factor, exceeding its isomer P(PzDPP-Dz) by over two orders of magnitude.
  • Ruled out dihedral-angle rotation disorders and identified nanoscale polymer packing structures as the source of disorders and traps.

Conclusions:

  • Nanoscale polymer packing structures, rather than backbone dihedral angles, are the primary source of energetic disorders and traps in these conjugated polymers.
  • Understanding these nanoscale packing effects is crucial for optimizing charge transport and thermoelectric performance in polymer semiconductors.