Theoretical and experimental investigation on the influence of the molecular polarizability of novel zinc phthalocyanine derivatives on the open circuit voltage of organic hetero-junction solar cells
Theoretical and experimental investigation on the influence of the molecular polarizability of novel zinc phthalocyanine derivatives on the open circuit voltage of organic hetero-junction solar cells
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DOI：
10.1016/j.solmat.2009.10.004
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发表时间：
2010-02
影响因子：
6.9
通讯作者：
Ingmar Bruder;A. Ojala;C. Lennartz;S. Sundarraj;J. Schöneboom;Rüdiger Sens;Jaehyung Hwang;P. Erk;J. Weis
中科院分区：
文献类型：
--
作者：
Ingmar Bruder;A. Ojala;C. Lennartz;S. Sundarraj;J. Schöneboom;Rüdiger Sens;Jaehyung Hwang;P. Erk;J. Weis
从理论和实验上研究了不同施主分子的分子极化率α对有机异质结太阳能电池开路电压Voc的影响。因此，合成了新型的锌酞菁（ZnPc）衍生物，其具有连接到碱性ZnPc核上的苯基、萘基或蒽基基团。通过引入大体积基团，分子极化率依次增加。由于α对电荷的库仑相互作用的影响将取决于各个分子的分子排列，因此通过高分辨率XRD解决了各个单晶结构。基于求解的结构，对模型系统进行了电荷分离机制的量子力学计算。将讨论所观察到的电子效应的影响，并与设备的性能。
The influence of the molecular polarizability α of different donor molecules on the open circuit voltage Vocof organic hetero-junction solar cells (HJCs) was theoretically and experimentally investigated. Therefore, novel zinc phthalocyanine (ZnPc) derivatives were synthesized having phenyl, naphthyl or anthracenyl groups attached to basic ZnPc cores. By adding bulky groups, the molecular polarizability was successively increased. Since the influence of α on the Coulomb interaction of charges will depend on the molecular arrangement of the respective molecules, the respective single crystal structures were solved by high resolution XRD. Based on the solved structures, quantum mechanical calculations of the charge separation mechanism were performed on model systems. The implications of the observed electronic effects will be discussed and related to the device performance.