Computation of full polymer-based photovoltaic nanodevices using a parametrized field-based multiscale solar-cell approach
Computation of full polymer-based photovoltaic nanodevices using a parametrized field-based multiscale solar-cell approach
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DOI：
10.1016/j.orgel.2015.03.049
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发表时间：
2015-07
影响因子：
3.2
通讯作者：
Sergii Donets;A. Pershin;S. A. Baeurle
中科院分区：
文献类型：
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作者：
Sergii Donets;A. Pershin;S. A. Baeurle
聚合物电子通过降低大规模纳米电子应用的生产成本，具有彻底改变可印刷柔性电子世界的力量。然而，与无机器件相比，这种器件的性能和稳定性仍然普遍较低，因此需要开发新的多尺度实验和理论研究技术，以增加对运行条件下性能损失原因的理解。为此，我们在本文中引入了一种新的基于参数化场的多尺度算法，该算法允许研究化学细节的影响，例如供体和受体组分的相互混合和/或光降解，对具有技术相关尺寸的聚合物基太阳能电池纳米器件的光伏性能。通过将其结果与基于原子粒子的太阳能电池计算结果进行比较，我们证明了基于参数化场的方法为基于聚芴的混合异质结的内部量子效率提供了合理的值，用于参数化激子解离和电荷转移速率。此外，我们表明，它与一种改进版本的转移矩阵方法相结合，允许将单个器件组件的光学吸收的影响（例如，来自光活性层的电极和/或纳米相）包含到算法中。这种全装置太阳能电池方法使我们能够确定几种聚合物混合形态的外部量子效率值，与实验测量结果非常吻合。最后，后一项研究还揭示，与实验观察一致，减少载流子损耗比减少激子和光子损耗更重要，以优化太阳能电池器件的性能。
Polymer electronics has the power of revolutionizing the world of printable flexible electronics through reducing the production costs of large-scale nanoelectronic applications. However, performance and stability of such devices are still generally low compared to their inorganic counterparts, rendering the development of novel multiscale experimental- and theoretical-investigation techniques necessary, to increase the understanding of the causes for performance losses under operation conditions. To this end, we introduce in this paper a novel parametrized field-based multiscale algorithm, which permits to study effects of chemical details, like e.g. inter-mixing of the donor- and acceptor-components and/or photodegradation, on the photovoltaic performance of polymer-based solar-cell nanodevices with sizes of technological relevance. By comparing its results with the ones of atomistic particle-based solar-cell calculations, we demonstrate that the parametrized field-based approach provides a reasonable value for the internal quantum efficiency of a polyfluorene-based blend heterojunction, used for parametrization of the exciton dissociation and charge transfer rates. Moreover, we show that its combination with a modified version of the transfer-matrix method allows the inclusion of the influence of the optical absorption of the individual device components, like e.g. the electrodes and/or nanophases from the photoactive layer, into the algorithm. This full-device solar-cell approach enables us to determine values for the external quantum efficiency of several polymer blend morphologies in good agreement with experimental measurements. Finally, the latter study also reveals, in concordance with experimental observations, that reducing charge-carrier losses is more important than reducing exciton- and photon-losses for optimizing the performance of solar-cell devices.