Organic photovoltaics and energy: general discussion.
Organic photovoltaics and energy: general discussion.
复制标题
有机光伏和能源：一般性讨论。
DOI：
10.1039/c4fd90050b
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发表时间：
2014
影响因子：
3.4
通讯作者：
Hodgkiss J
中科院分区：
文献类型：
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作者：
Hodgkiss J
Justin Hodgkiss开启了Jenny纳尔逊论文的讨论：有机光伏电池中初始长程电荷分离步骤的一个可行解释是通过最初在高态密度（DOS）中形成的电荷对的极高非平衡电荷迁移率。在这个模型中，电荷分离将被某种程度的无序增强，包括可能由异质结处的富勒烯填充引起的无序。你能评论一下你的工作对电荷分离模型的影响吗？你是否在DOS中看到了足够高的无序度来期望高的初始空穴迁移率？珍妮纳尔逊回答说：界面附近增强的无序效应将电荷从界面驱向材料更有序且电子态更深地位于带隙中的区域，这对我来说似乎是非常合理的。该模型与此兼容，因为更深的状态来自更大的共轭区域，这些共轭区域更有可能发生在远离界面的地方，其中异质结中的第二材料不太能够破坏堆积。在迄今为止所做的工作中，我们主要集中在聚合物域上，因此无法详细研究界面。然而，该模型可以适用于二元系统，这种效果的不稳定的电子状态，由于包装混乱接近接口可以进行研究。限制因素将是进行许多代表性二元系统的分子动力学（MD）所花费的时间。
Justin Hodgkiss opened the discussion of the paper by Jenny Nelson: A viable explanation for the initial long-range charge separation step in organic photovoltaic cells is via extremely high non-equilibrium charge mobilities of charge pairs initially formed high in the density of states (DOS). In this model, charge separation would be enhanced by some degree of disorder, including possibly the disorder induced by the packing with the fullerene at the heterojunction. Can you comment on the implications of your work on this model of charge separation? Do you see sufficient disorder higher in the DOS to expect high initial hole mobilities?Jenny Nelson answered: The effect of enhanced disorder near the interfaces in driving charge away from the interfaces towards regions where the materials are more ordered and the electronic states lie deeper into the band gap seems a very plausible one to me. The model would be compatible with this because the deeper lying states result from more extended regions of conjugation that would be more likely to occur away from the interfaces, where the second material in a heterojunction is less able to disrupt packing. In the work done so far, we concentrated mainly on the polymer domain and so were not able to study the interfaces in detail. The model could however be applied to binary systems, and this effect of a destabilisation of the electronic states due to packing disorder close to the interface could be studied. The limiting factor will be the time taken to carry out molecular dynamics (MD) of many representative binary systems.