Enhancing Molecular n‐Type Doping of Donor–Acceptor Copolymers by Tailoring Side Chains,Advanced Materials

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Enhancing Molecular n‐Type Doping of Donor–Acceptor Copolymers by Tailoring Side Chains
Advanced Materials ( IF 27.4 ) Pub Date : 2018-01-11 , DOI: 10.1002/adma.201704630
Jian Liu ₁ , Li Qiu _{1,

2} , Riccardo Alessandri _{1,

3} , Xinkai Qiu _{1,

2} , Giuseppe Portale ₁ , JingJin Dong ₁ , Wytse Talsma ₁ , Gang Ye _{1,

2} , Aprizal Akbar Sengrian ₁ , Paulo C. T. Souza ₃ , Maria Antonietta Loi ₁ , Ryan C. Chiechi _{1,

2} , Siewert J. Marrink _{1,

3} , Jan C. Hummelen _{1,

2} , L. Jan Anton Koster ₁

Affiliation

In this contribution, for the first time, the molecular n‐doping of a donor–acceptor (D–A) copolymer achieving 200‐fold enhancement of electrical conductivity by rationally tailoring the side chains without changing its D–A backbone is successfully improved. Instead of the traditional alkyl side chains for poly{[N,N′‐bis(2‐octyldodecyl)‐naphthalene‐1,4,5,8‐bis(dicarboximide)‐2,6‐diyl](NDI)‐alt‐5,5′‐(2,2′‐bithiophene)} (N2200), polar triethylene glycol type side chains is utilized and a high electrical conductivity of 0.17 S cm⁻¹ after doping with (4‐(1,3‐dimethyl‐2,3‐dihydro‐1H‐benzoimidazol‐2‐yl)phenyl)dimethylamine is achieved, which is the highest reported value for n‐type D–A copolymers. Coarse‐grained molecular dynamics simulations indicate that the polar side chains can significantly reduce the clustering of dopant molecules and favor the dispersion of the dopant in the host matrix as compared to the traditional alkyl side chains. Accordingly, intimate contact between the host and dopant molecules in the NDI‐based copolymer with polar side chains facilitates molecular doping with increased doping efficiency and electrical conductivity. For the first time, a heterogeneous thermoelectric transport model for such a material is proposed, that is the percolation of charge carriers from conducting ordered regions through poorly conductive disordered regions, which provides pointers for further increase in the themoelectric properties of n‐type D–A copolymers.

中文翻译：

通过定制侧链增强施主-受主共聚物的分子n型掺杂

在这一贡献中，首次成功改善了供体-受体（DA）共聚物的分子n掺杂，它通过合理地定制侧链而不改变其ADA骨架而实现了200倍的电导率提高。代替了聚{[ N，N'-双（2-辛基十二烷基）-萘-1,4,5,8-双（二甲酰亚胺）-2,6-二基]（NDI）-alt-的传统烷基侧链5,5'-（2,2'-联噻吩）}（N2200），使用极性三乙二醇型侧链，电导率高至0.17 S cm ^-1用（4-（1,3-二甲基-2,3-二氢-1H-苯并咪唑-2-基）苯基）掺杂后获得二甲胺，这是n型D–A共聚物的最高报道值。粗粒度的分子动力学模拟表明，与传统的烷基侧链相比，极性侧链可以显着减少掺杂剂分子的聚集，并有利于掺杂剂在主体基质中的分散。因此，NDI基共聚物中带有极性侧链的主体与掺杂剂分子之间的紧密接触有助于分子掺杂，并提高掺杂效率和电导率。首次提出了这种材料的异质热电输运模型，即电荷载流子从导电有序区域到导电性较差的无序区域的渗滤，

更新日期：2018-01-11

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