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Charge-Compensated N-Doped π-Conjugated Polymers: Toward both Thermodynamic Stability of N-Doped States in Water and High Electron Conductivity
Advanced Science ( IF 14.3 ) Pub Date : 2022-09-05 , DOI: 10.1002/advs.202203530
Fabian Borrmann 1 , Takuya Tsuda 1 , Olga Guskova 1, 2 , Nataliya Kiriy 1 , Cedric Hoffmann 1 , David Neusser 3 , Sabine Ludwigs 3 , Uwe Lappan 1 , Frank Simon 1 , Martin Geisler 1 , Bipasha Debnath 4 , Yulia Krupskaya 4 , Mahmoud Al-Hussein 5 , Anton Kiriy 1
Affiliation  

The understanding and applications of electron-conducting π-conjugated polymers with naphtalene diimide (NDI) blocks show remarkable progress in recent years. Such polymers demonstrate a facilitated n-doping due to the strong electron deficiency of the main polymer chain and the presence of the positively charged side groups stabilizing a negative charge of the n-doped backbone. Here, the n-type conducting NDI polymer with enhanced stability of its n-doped states for prospective “in-water” applications is developed. A combined experimental–theoretical approach is used to identify critical features and parameters that control the doping and electron transport process. The facilitated polymer reduction ability and the thermodynamic stability in water are confirmed by electrochemical measurements and doping studies. This material also demonstrates a high conductivity of 10−2 S cm−1 under ambient conditions and 10−1 S cm−1 in vacuum. The modeling explains the stabilizing effects for various dopants. The simulations show a significant doping-induced “collapse” of the positively charged side chains on the core bearing a partial negative charge. This explains a decrease in the lamellar spacing observed in experiments. This study fundamentally enables a novel pathway for achieving both thermodynamic stability of the n-doped states in water and the high electron conductivity of polymers.

中文翻译:


电荷补偿 N 掺杂 π 共轭聚合物:同时实现 N 掺杂态在水中的热力学稳定性和高电子电导率



近年来,对具有萘二酰亚胺(NDI)嵌段的电子导电π共轭聚合物的理解和应用取得了显着的进展。由于主聚合物链的强电子缺陷以及稳定n-掺杂主链的负电荷的带正电侧基的存在,此类聚合物表现出促进的n-掺杂。这里,开发了 n 型导电 NDI 聚合物,其 n 掺杂状态的稳定性增强,可用于未来的“水中”应用。采用实验与理论相结合的方法来确定控制掺杂和电子传输过程的关键特征和参数。通过电化学测量和掺杂研究证实了促进聚合物的还原能力和在水中的热力学稳定性。该材料还表现出在环境条件下10 -2 S cm -1和真空中10 -1 S cm -1的高电导率。该模型解释了各种掺杂剂的稳定作用。模拟显示,带有部分负电荷的核心上的带正电侧链因掺杂而引起“崩溃”。这解释了实验中观察到的层状间距的减小。这项研究从根本上为实现水中n掺杂态的热力学稳定性和聚合物的高电子电导率提供了一条新途径。
更新日期:2022-09-05
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