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The influence of nanostructure on polymer-based optoelectronic devices functioning : a computer simulation study

机译:纳米结构对基于聚合物的光电器件功能的影响:计算机模拟研究

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摘要

During the last years it has been clear that it is importance to understand and control the nanostructure of the active polymer layer used in optoelectronic devices, like polymer diodes, solar cells or field effect transistors. Several experimental studies have shown that the nanostructure of polymer thin films used in these optoelectronic devices depends on the conditions used to deposit the polymer layer between the electrodes. As a result, in solid state conjugated polymer chains tend to be stacked and aligned relative to the electrodes creating domains with different sizes that influence the performance of these devices. To understand how the spatial arrangement of polymer chains affects the functioning of optoelectronic devices, we performed computer simulations using our mesoscopic model based on a generalized dynamic Monte Carlo method. We focus our study on the influence of the nanomorphology on the electric properties of polymer light emitting diodes. Our results show that for a pristine polymer layer and in the presence of ohmic contacts between the electrodes and the polymer layer, the electric properties of the device, namely current density, charge density, internal electric field and the number of charges that undergo recombination strongly depends on the polymer morphology at nanoscale.
机译:在过去的几年中,很明显,了解和控制用于光电器件(例如聚合物二极管,太阳能电池或场效应晶体管)的活性聚合物层的纳米结构非常重要。几项实验研究表明,这些光电器件中使用的聚合物薄膜的纳米结构取决于在电极之间沉积聚合物层的条件。结果,在固态时,共轭聚合物链倾向于相对于电极堆叠和排列,从而形成具有不同尺寸的畴,这些畴影响这些器件的性能。为了了解聚合物链的空间排列如何影响光电器件的功能,我们使用了基于广义动态蒙特卡洛方法的介观模型进行了计算机模拟。我们将研究重点放在纳米形态对聚合物发光二极管电性能的影响上。我们的结果表明,对于原始的聚合物层以及在电极和聚合物层之间存在欧姆接触的情况下,器件的电性能,即电流密度,电荷密度,内部电场和经过重组的电荷数会强烈取决于纳米级的聚合物形态。

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