优化用于高性能非富勒烯有机太阳能电池的基于 2,2'-bithiophene-3,3'-二甲酰亚胺的聚合物供体的能级和结晶度,Journal of Materials Chemistry C

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优化用于高性能非富勒烯有机太阳能电池的基于 2,2'-bithiophene-3,3'-二甲酰亚胺的聚合物供体的能级和结晶度
Journal of Materials Chemistry C ( IF 5.7 ) Pub Date : 2021-5-13 , DOI: 10.1039/d1tc01528a
Yi Tang _{1,

2,

3,

4,

5} , Lan Xie _{6,

7,

8,

9,

10} , Dingding Qiu _{6,

7,

8,

9,

10} , Chen Yang _{6,

7,

8,

9,

10} , Yanan Liu _{6,

7,

8,

9,

10} , Yanan Shi _{6,

7,

8,

9,

10} , Ziyun Huang _{6,

7,

8,

9,

10} , Jianqi Zhang _{6,

7,

8,

9,

10} , Jiawen Hu _{1,

2,

3,

4,

5} , Kun Lu _{6,

7,

8,

9,

10} , Zhixiang Wei _{6,

7,

8,

9,

10}

Affiliation

聚合物供体的能级和结晶度极大地影响了非富勒烯有机太阳能电池 (OSC) 的活性层形态和器件性能。在这项工作中，一系列新的聚合物供体由二噻吩并[2,3- d :2',3'- d ']苯并[1,2- b :4,5- b']二噻吩（DTBDT）和2,2'-联噻吩-3,3'-二甲酰亚胺（BTI）单元被合成并命名为PDTBDT、PDTBDT-T和PDTBDT-T-Cl。BTI单元表现出很强的吸电子能力，可以降低最高占据分子轨道（HOMO）能级，良好的平面性可以有效降低空间位阻。具有高平面度和刚性的BTI和DTBDT单元的结合极大地保持了聚合物的结晶度，改善了受体的结晶度，并获得了优选的面朝取向，从而大大提高了电荷转移效率。共轭结构中引入的噻吩 π 桥和氯原子进一步优化了聚合物的光吸收和能级。以小分子Y6为受体，基于PDTBDT-T-Cl的优化OSCs：Y6实现了15.63%的功率转换效率，明显高于PDTBDT-T:Y6（12.71%）和PDTBDT:Y6（8.22%）。这些结果表明，基于 BTI 的聚合物供体可以通过设计其分子结构来提高结晶度、促进受体的堆积、优化相分离形貌并提高器件的性能，从而获得与 PM6 的经典聚合物供体相当的性能。 .

"点击查看英文标题和摘要"

Optimizing the energy levels and crystallinity of 2,2′-bithiophene-3,3′-dicarboximide-based polymer donors for high-performance non-fullerene organic solar cells

The energy levels and crystallinity of the polymer donor greatly affect the active layer morphology and device performance in non-fullerene organic solar cells (OSCs). In this work, a new series of polymer donors consisting of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene (DTBDT) and 2,2′-bithiophene-3,3′-dicarboximide (BTI) units were synthesized and named PDTBDT, PDTBDT-T, and PDTBDT-T-Cl. The BTI unit shows a strong electron withdrawing ability to reduce the highest occupied molecular orbital (HOMO) level and a good planarity to reduce the steric hindrance effectively. The combination of BTI and DTBDT units with high planarity and rigidity magnificently maintains the crystallinity of the polymer, improves that of the acceptor, and obtains a preferred face-on orientation, thereby greatly improving the charge transfer efficiency. The introduced thiophene π-bridges and chlorine atoms in the conjugated structure further optimized light absorption and the energy level of the polymers. With the small molecule Y6 as the acceptor, the optimized OSCs based on PDTBDT-T-Cl:Y6 achieved a power conversion efficiency of 15.63%, which is remarkably higher than those of PDTBDT-T:Y6 (12.71%) and PDTBDT:Y6 (8.22%). These results show that BTI-based polymer donors can achieve comparable performance to the classic polymer donor of PM6 by designing their molecular structure to enhance the crystallinity, promote the stacking of the acceptor, optimize the phase separation morphology, and improve the performance of the device.

更新日期：2021-06-05

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