Chlorinated Benzo[1,2‐b:4,5‐c′]dithiophene‐4,8‐dione Polymer Donor: A Small Atom Makes a Big Difference,Advanced Science

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Chlorinated Benzo[1,2‐b:4,5‐c′]dithiophene‐4,8‐dione Polymer Donor: A Small Atom Makes a Big Difference
Advanced Science ( IF 14.3 ) Pub Date : 2021-01-04 , DOI: 10.1002/advs.202003641
Pengjie Chao _{1,

2} , Hui Chen _{1,

3} , Mingrui Pu ₁ , Yulin Zhu ₁ , Liang Han ₁ , Nan Zheng ₄ , Jiadong Zhou ₄ , Xiaoyong Chang ₁ , Daize Mo ₁ , Zengqi Xie ₄ , Hong Meng ₂ , Feng He _{1,

5}

Affiliation

The position of a chlorine atom in a charge carrier of polymer solar cells (PSCs) is important to boost their photovoltaic performance. Herein, two chlorinated D‐A conjugated polymers PBBD‐Cl‐α and PBBD‐Cl‐β are synthesized based on two new building blocks (TTO‐Cl‐α and TTO‐Cl‐β) respectively by introducing the chlorine atom into α or β position of the upper thiophene of the highly electron‐deficient benzo[1,2‐b:4,5‐c′]dithiophene‐4,8‐dione moiety. Single‐crystal analysis demonstrates that the chlorine‐free TTO shows a π‐π stacking distance (d_π‐π) of 3.55 Å. When H atom at the α position of thiophene of TTO is replaced by Cl, both π‐π stacking distance (d_π‐π = 3.48 Å) and Cl···S distance (d_Cl‐S = 4.4 Å) are simultaneously reduced for TTO‐Cl‐α compared with TTO. TTO‐Cl‐β then showed the Cl···S non‐covalent interaction can further shorten the intermolecular π‐π stacking separation to 3.23 Å, much smaller than that of TTO‐Cl‐α and TTO. After blending with BTP‐eC9, PBBD‐Cl‐β:BTP‐eC9‐based PSCs achieved an outstanding power conversion efficiency (PCE) of 16.20%, much higher than PBBD:BTP‐eC9 (10.06%) and PBBD‐Cl‐α:BTP‐eC9 (13.35%) based devices. These results provide an effective strategy for design and synthesis of highly efficient donor polymers by precise positioning of the chlorine substitution.

中文翻译：

氯化苯并[1,2-b:4,5-c']二噻吩-4,8-二酮聚合物供体：小原子产生大差异

聚合物太阳能电池（PSC）电荷载流子中氯原子的位置对于提高其光伏性能非常重要。在此，基于两个新的结构单元（TTO-Cl-α和TTO-Cl-β）分别通过将氯原子引入到α或高度缺电子的苯并[1,2-b:4,5-c']二噻吩-4,8-二酮部分的上部噻吩的β位置。单晶分析表明，无氯 TTO 的 π-π 堆积距离 ( d _π-π ) 为 3.55 Å。当TTO噻吩α位的H原子被Cl取代时，π-π堆积距离( d _π-π = 3.48 Å)和Cl·S距离( d _Cl-S = 4.4 Å)同时减小TTO-Cl-α 与 TTO 相比。TTO-Cl-β随后表明Cl·S非共价相互作用可以进一步缩短分子间π-π堆积间距至3.23 Å，远小于TTO-Cl-α和TTO。与 BTP-eC9 混合后，基于 PBBD-Cl-β:BTP-eC9 的 PSC 实现了 16.20% 的出色功率转换效率（PCE），远高于 PBBD:BTP-eC9 (10.06%) 和 PBBD-Cl-α ：基于 BTP-eC9 (13.35%) 的设备。这些结果为通过精确定位氯取代来设计和合成高效供体聚合物提供了有效的策略。

更新日期：2021-02-17

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