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Combination of Charge Delocalization and Disorder Enables Efficient Charge Separation at Photoexcited Organic Bilayers
The Journal of Physical Chemistry C ( IF 3.7 ) Pub Date : 2018-04-19 00:00:00 , DOI: 10.1021/acs.jpcc.8b03114
Veljko Janković 1 , Nenad Vukmirović 1
Affiliation  

We study incoherent charge separation in a lattice model of an all-organic bilayer. Charge delocalization is taken into account by working in the basis of electron–hole pair eigenstates, and the separation is described as a series of incoherent hops between these states. We find that relatively weak energetic disorder, in combination with good charge delocalization, can account for efficient and weakly field- and temperature-dependent separation of the strongly bound charge transfer (CT) state. The separation efficiency is determined by the competition between the recombination from the initial CT state and the escape toward intermediate CT states, from which free-charge states can be reached with certainty. The separation of donor excitons also exhibits quite high yields, less bound excitons separating more efficiently. Overall, our results support the notion that efficient charge separation can be achieved even out of strongly bound pair states without invoking coherent effects.

中文翻译:

电荷离域和无序的结合使光激发有机双层中的电荷有效分离。

我们研究全有机双层晶格模型中的非相干电荷分离。通过在电子-空穴对本征态的基础上进行工作来考虑电荷离域,并且这种分离被描述为这些状态之间的一系列不相干的跃点。我们发现,相对较弱的能量紊乱与良好的电荷离域结合可以解决强束缚电荷转移(CT)状态的有效且弱依赖于场和温度的分离。分离效率取决于从初始CT状态的重组与向中间CT状态的逃逸之间的竞争,由此可以确定地达到自由电荷状态。供体激子的分离也显示出很高的产率,较少结合的激子更有效地分离。全面的,
更新日期:2018-04-19
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