Realizing Ultralow Energetic Disorder And High Thermoelectric Performances Via Nanoscale Polymer Packing Control

Authors

• Jia Tong Li, Peking University
• Guangchao Liu, Peking UniversityFollow
• Chunlin Xu, MOE Key Laboratory of Organic Optoelectronics & Molecular Engineering
• Juan Rong Wang, Peking University
• Zhuoqiong Zhang, Hong Kong Baptist University
• Yunfei Wang, University of Southern MississippiFollow
• Zhiqiang Cao, University of Southern MississippiFollow
• Yin Liang, Peking University
• Xin Yu Deng, Peking University
• Miao Xiong, Peking UniversityFollow
• Xue Qing Wang, Peking University
• Kai Kai Liu, Peking University
• Qing Zhang, Peking University
• Xiaodan Gu, University of Southern MississippiFollow
• Shu Kong So, Hong Kong Baptist University
• Chuan Ding Dong, Paderborn University
• Kai Lin Woon, Universiti Malaya
• Dong Wang, MOE Key Laboratory of Organic Optoelectronics & Molecular EngineeringFollow
• Zhi Zhang, Peking UniversityFollow
• Ting Lei, Peking UniversityFollow

Document Type

Article

Publication Date

4-21-2026

School

Polymer Science and Engineering

Abstract

Charge transport and thermoelectric (TE) properties of conjugated polymers are largely determined by their solid-state energetic disorders. Previous studies have focused on the energetic disorders or traps that result from dihedral angle rotations of the polymer backbone. However, this fails to explain the largely different charge transport properties in many conjugated polymers. Here, we investigate the charge transport and TE properties of two isomeric polymers with highly rigid backbones and low energetic disorders along the chain. Both polymers have similar ultralow charge transport activation energies (<35 meV), but exhibit vastly different charge transport properties. We found that P(PzDPP-Pz) with a linear backbone exhibited a high n-type TE power factor, over 2 orders of magnitude higher than its isomer P(PzDPP-Dz). By utilizing multiple characterizations and molecular simulations, we, for the first time, rule out the well-known dihedral-angle rotation disorders and unveil that the disorders and traps originate from the nanoscale polymer packing structures. Our work provides insight into the origins of the various types of disorders and traps across multilevel nanoscale structures in polymer semiconductors.

Publication Title

ACS Nano

Volume

20

Issue

15

First Page

11545

Last Page

11557

Recommended Citation

Li, J., Liu, G., Xu, C., Wang, J., Zhang, Z., Wang, Y., Cao, Z., Liang, Y., Deng, X., Xiong, M., Wang, X., Liu, K., Zhang, Q., Gu, X., So, S., Dong, C., Woon, K., Wang, D., Zhang, Z., Lei, T. (2026). Realizing Ultralow Energetic Disorder And High Thermoelectric Performances Via Nanoscale Polymer Packing Control. ACS Nano, 20(15), 11545-11557.
Available at: https://aquila.usm.edu/fac_pubs/21935