Tuning the molecular geometry and packing mode of non-fullerene acceptors by altering the bridge atoms towards efficient organic solar cells,Materials Chemistry Frontiers

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Tuning the molecular geometry and packing mode of non-fullerene acceptors by altering the bridge atoms towards efficient organic solar cells
Materials Chemistry Frontiers ( IF 6.0 ) Pub Date : 2020-06-17 , DOI: 10.1039/d0qm00277a
Yi Zhang _{1,

2,

3,

4,

5} , Zhongxun Liu _{1,

2,

3,

4,

5} , Tong Shan _{1,

2,

3,

4,

5} , Yan Wang _{1,

2,

3,

4,

5} , Lei Zhu _{1,

2,

3,

4,

5} , Tao Li _{1,

2,

3,

4,

5} , Feng Liu _{1,

2,

3,

4,

5} , Hongliang Zhong _{1,

2,

3,

4,

5}

Affiliation

To investigate the effect of bridge atoms on the properties of non-fullerene acceptors, we designed two analogues by changing only one atom and report the first germanium based non-fullerene acceptor GDIC-C8. Compared to its analogue IDIC-C8, altering the bridge atom from carbon to germanium dramatically leads to a more planar molecular geometry. GDIC-C8 tends to form a 1D lamellar/slip-stack packing while IDIC-C8 represents a reticular motif packing in a single crystal. This unique structure greatly enhances the crystallinity of GDIC-C8 in single crystal and neat films, evidenced by X-ray single crystal diffraction and atomic force microscopy measurements. However, GDIC-C8 prefers to form edge-on π–π stacking when blended with a donor polymer PM6. In addition, the extremely high crystallinity of GDIC-C8 restrains competitively the crystallization of PM6 in the blend film. These features lead to an inferior photovoltaic performance of GDIC-C8 compared to IDIC-C8. This work systematically studies the effect of bridge atoms on molecular geometry and packing and reveals the importance of the bridge atom in the fused-ring semiconductors for the modulation of optoelectronic properties and device performance.

中文翻译：

通过改变朝向高效有机太阳能电池的桥原子来调节非富勒烯受体的分子几何形状和堆积模式

为了研究桥原子对非富勒烯受体性质的影响，我们通过仅改变一个原子设计了两个类似物，并报道了第一个基于锗的非富勒烯受体GDIC-C8。与其类似物IDIC-C8相比，将桥原子从碳原子变为锗原子显着导致分子平面更加平坦。GDIC-C8倾向于形成一维层状/滑堆堆积，而IDIC-C8则代表单晶中的网状图案堆积。这种独特的结构极大地增强了单晶和纯净薄膜中GDIC-C8的结晶度，X射线单晶衍射和原子力显微镜测量证明了这一点。但是，GDIC-C8与供体聚合物PM6混合时，它更倾向于在π-π上形成边缘堆叠。另外，GDIC-C8的极高结晶度竞争性地抑制了共混膜中PM6的结晶。这些特征导致与IDIC-C8相比GDIC-C8的光伏性能较差。这项工作系统地研究了桥原子对分子几何形状和堆积的影响，并揭示了在稠环半导体中桥原子对于光电子性质和器件性能的调制的重要性。

更新日期：2020-07-30

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