Photocurrent contribution from inter-segmental mixing in donor–acceptor-type polymer solar cells: A multiscale simulation study
Photocurrent contribution from inter-segmental mixing in donor–acceptor-type polymer solar cells: A multiscale simulation study
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DOI：
10.1016/j.polymer.2014.06.038
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发表时间：
2014-08
期刊：
影响因子：
4.6
通讯作者：
A. Pershin;Sergii Donets;S. A. Baeurle
中科院分区：
文献类型：
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作者：
A. Pershin;Sergii Donets;S. A. Baeurle
聚合物太阳能电池具有以可负担的成本产生可再生能源的前景，只要它们的性能和耐用性可以大大提高。为此，最近已经设计了几种实验和理论技术，建立了局部形态，局部光电性能和器件性能之间的直接联系。然而，其可靠性至今仍不清楚。在这里，我们通过使用最近开发的基于粒子的多尺度太阳能电池方法，并将其结果与基于场的太阳能电池算法的结果进行比较，证明了层状多晶硅中电子给体（D）和受体（A）型片段的相互混合（9，9 '-二辛基芴-co-双-N，N'-（4-丁基苯基）-双-N，N '-苯基-1，4-苯二胺）-聚（九、9 '-二辛基芴-co-苯并噻二唑）（PFB-F8BT）共混物导致电荷产生和电荷传输的主要部分发生在纳米结构聚合物太阳能电池的纳米相内，这与最近的实验测量一致而不是像通常认为的那样，在DA界面的可见域边界处。此外，我们表明，由于单体间的混合，激子解离效率的内部量子效率的贡献，是显着的，在纳米级的模拟研究中不能忽略。最后，我们证明，酮缺陷的芴部分的F8 BT相，诱导光氧化，导致同时增加链内的贡献和减少链间的贡献的电子电流密度，而在减少的形式的差异，这两个贡献是显着较小。这种拮抗作用导致酮诱导的电子捕获，导致具有光氧化的F8 BT相的器件中的电子传输效率劣化。
Polymer solar cells possess a promising perspective for generating renewable energy at affordable costs, provided their performance and durability can be improved considerably. To this end, several experimental and theoretical techniques have been devised recently, establishing a direct link between local morphology, local opto-electronic properties and device performance. However, their reliability is still unclear to this day. Here, we demonstrate by using a recently developed particle-based multiscale solar cell approach and comparing its results with the ones of a field-based solar cell algorithm that inter-mixing of the electron-donor(D)- and -acceptor(A)-type of segments in a lamellar-like poly(9,9’-dioctylfluorene-co-bis-N,N'-(4-butylphenyl)-bis-N,N'-phenyl-1,4-phenylene-diamine)-poly(9,9'-dioctylfluorene-co-benzothiadiazole) (PFB-F8BT) blend causes that the major part of the charge generation and charge transport takes place inside the nanophases of the nanostructured polymer solar cells in agreement with recent experimental measurements and not, as commonly believed, at the visible domain boundaries of the DA interface. Moreover, we show that the contribution of the exciton dissociation efficiency to the internal quantum efficiency, due to inter-monomeric mixing, is significant and cannot be neglected in simulation studies at the nanoscale. Finally, we demonstrate that keto-defects on the fluorene moiety of the F8BT phase, induced by photo-oxidation, causes a simultaneous increase of the intra-chain contribution and decrease of the inter-chain contribution to the electronic current density, whereas in the reduced form the difference between both contributions is significantly smaller. This antagonistic effect leads to keto-induced electron trapping, resulting in a deteriorated electronic transport efficiency in devices with a photo-oxidized F8BT phase.