Theoretical search for high-performance thermoelectric donor–acceptor copolymers: the role of super-exchange couplings
Xue Yong, Gang Wu, Wen Shi, Zicong Marvin Wong, Tianqi Deng, Qiang Zhu, Xiaoping Yang, Jian‐Sheng Wang, Jianwei Xu, Shuo‐Wang Yang
Abstract
First-principles calculations of a series of representing D–A copolymers demonstrated the strong Super-Exchange couplings induce not only small hole effective mass but also weak electron-phonon couplings, and eventually high thermoelectric power factor.
Topics & Concepts
CopolymerThermoelectric effectSeries (stratigraphy)Materials scienceElectronPower (physics)AcceptorCondensed matter physicsPhysicsChemical physicsQuantum mechanicsPolymerBiologyPaleontologyComposite materialAdvanced Thermoelectric Materials and DevicesThermal properties of materialsConducting polymers and applications