侧链
位阻效应
热电效应
堆积
反离子
化学物理
材料科学
聚合物
兴奋剂
纳米技术
化学
立体化学
有机化学
离子
物理
热力学
光电子学
复合材料
出处
期刊:Nano Letters
[American Chemical Society]
日期:2024-01-29
卷期号:24 (5): 1776-1783
标识
DOI:10.1021/acs.nanolett.3c04829
摘要
Donor–acceptor (D–A) copolymers doped with n-type dopants are widely sought after for their potential in organic thermoelectric devices. However, the existing structural disorder significantly hampers their charge transport and thermoelectric performance. In this Letter, we propose a mechanism to mitigate this disorder through side chain engineering. Utilizing molecular dynamics simulations, we demonstrate that strong Coulomb interactions between counterions and charged polymer backbones induce a transition in the stacking arrangement of the polymer backbones from a slipped to a vertical configuration. However, the presence of side chain steric hindrance impedes the formation of closely packed and ordered vertical stacking arrangements, resulting in greater distances between adjacent backbones and a higher level of structural disorder in the doped films. Therefore, we propose minimizing side chain steric hindrance to enhance the structural order in doped films. Our findings provide essential insights for advancing high-performance thermoelectric polymers.
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