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Engineering Molecular Assembly for High Performance Plastic Thermoelectrics.

Dongyang Wang1, Daoben Zhu1, Chong-An Di1

  • 1Beijing National Laboratory for Molecular Sciences, CAS Key Laboratory of Organic Solids, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China.

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|March 6, 2026
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Summary
This summary is machine-generated.

Researchers developed advanced polymeric thermoelectric materials by engineering molecular assembly and heterogeneous structures. This approach significantly boosted thermoelectric performance, achieving a figure of merit (ZT) comparable to commercial materials for sustainable energy applications.

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Area of Science:

  • Materials Science
  • Energy Science
  • Polymer Science

Background:

  • The global energy crisis necessitates sustainable energy solutions, driving interest in converting low-grade heat to electricity using polymeric thermoelectrics.
  • Flexible, solution-processable polymers offer potential for wearable and portable power systems, but performance has been limited by molecular design.
  • Recent advances focus on molecular assembly engineering to improve microstructural order and hierarchical morphology for enhanced charge transport.

Purpose of the Study:

  • To optimize both charge and thermal transport in polymeric thermoelectrics beyond molecular design limitations.
  • To develop strategies for overcoming the trade-off between Seebeck coefficient and electrical conductivity.
  • To explore novel architectures for reducing thermal conductivity and enhancing the overall thermoelectric figure of merit (ZT).

Main Methods:

  • Developed a mixed-orientation strategy with bimodal molecular orientation to enhance doping, ordering, and density of states.
  • Introduced heterogeneous assembly with porous architectures to induce phonon scattering and lower thermal conductivity.
  • Created a polymeric multi-heterojunction (PMHJ) architecture via cross-linking-assisted assembly for significant thermal conductivity reduction.

Main Results:

  • The mixed-orientation strategy achieved a peak figure of merit (ZT) more than four times higher than single-orientation films.
  • Heterogeneous assembly with porous architectures raised ZT to 0.52 by lowering lattice thermal conductivity.
  • The PMHJ architecture yielded a record-high ZT of 1.28, comparable to commercial bismuth telluride, with a thermal conductivity of 0.10 W·m⁻¹·K⁻¹.
  • Anomalously large Nernst coefficients were observed in doped polymers, suggesting potential for advanced lateral organic thermoelectric devices.

Conclusions:

  • Advanced molecular assembly and heterogeneous structuring are effective strategies for significantly enhancing polymeric thermoelectric performance.
  • The developed PMHJ architecture offers a pathway to high-performance, flexible thermoelectric materials competitive with inorganic counterparts.
  • The discovery of large Nernst coefficients opens new avenues for designing novel organic thermoelectric devices.