当前位置：
X-MOL 学术
›
Phys. Chem. Chem. Phys.
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Charge carrier mobility of disordered organic semiconductors with correlated energetic and spatial disorder
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2018-02-20 00:00:00 , DOI: 10.1039/c8cp00544c Waldemar Kaiser 1, 2, 3, 4 , Tim Albes 1, 2, 3, 4 , Alessio Gagliardi 1, 2, 3, 4
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2018-02-20 00:00:00 , DOI: 10.1039/c8cp00544c Waldemar Kaiser 1, 2, 3, 4 , Tim Albes 1, 2, 3, 4 , Alessio Gagliardi 1, 2, 3, 4
Affiliation
|
Low charge carrier mobility is one key factor limiting the performance and applicability of devices based on organic semiconductors. Theoretical studies on mobility using the kinetic Monte Carlo or master equation are mainly based on a Gaussian energetic disorder and regular cubic lattices. The dependence of mobility on the electric field, temperature and charge carrier density is well studied for the Gaussian disorder model. In this work, we investigate the influence of spatially correlated site energies and spatial disorder in the lattice sites on the mobility using kinetic Monte Carlo simulations. Our analysis is based on both a regular cubic and a non-cubic Voronoi lattice. The latter is used to include spatial disorder in order to study its influence on the mobility for amorphous organic materials. Our results show that charge carrier mobility is strongly influenced by correlations in the site energies. Strong correlations even invert the field dependence of the mobility as observed experimentally in semi-crystalline polymers such as P3HT. Evaluation of local currents between localized states reveals the formation of current filaments with increasing correlation. Furthermore, the influence of the electric field and the energy landscape on the transport energy is studied by evaluation of active sites. A strong correlation between the transport energy, filaments in the local currents and the charge carrier mobility is observed. Our studies on the spatial disorder model do not indicate an inversion of the field dependence as observed by other researchers. The negative field-dependence in semi-crystalline materials may be explained by a higher correlation in the site energies as shown in a strongly correlated energetic landscape.
中文翻译：
具有相关的能量和空间无序的无序有机半导体的电荷载流子迁移率
低载流子迁移率是限制基于有机半导体的设备的性能和适用性的关键因素。使用动力学蒙特卡洛或主方程对迁移率进行的理论研究主要基于高斯能量紊乱和规则立方晶格。对于高斯无序模型，已经很好地研究了迁移率对电场，温度和电荷载流子密度的依赖性。在这项工作中，我们使用动力学蒙特卡洛模拟研究了晶格位点中空间相关位点能量和空间无序性对迁移率的影响。我们的分析基于正则立方和非立方Voronoi晶格。后者用于包括空间无序，以研究其对非晶态有机材料迁移率的影响。我们的结果表明，载流子迁移率受位能相关性的强烈影响。如在P3HT之类的半结晶聚合物中实验观察到的，强相关性甚至可以逆转迁移率的场依赖性。局部状态之间的局部电流的评估揭示了电流丝的相关性增加。此外，通过评估活动场所，研究了电场和能量景观对运输能量的影响。观察到传输能量，局部电流中的细丝与电荷载流子迁移率之间存在很强的相关性。正如其他研究人员所观察到的那样，我们对空间失调模型的研究并未表明场依赖性的倒置。
更新日期：2018-02-20
中文翻译：
具有相关的能量和空间无序的无序有机半导体的电荷载流子迁移率
低载流子迁移率是限制基于有机半导体的设备的性能和适用性的关键因素。使用动力学蒙特卡洛或主方程对迁移率进行的理论研究主要基于高斯能量紊乱和规则立方晶格。对于高斯无序模型，已经很好地研究了迁移率对电场，温度和电荷载流子密度的依赖性。在这项工作中，我们使用动力学蒙特卡洛模拟研究了晶格位点中空间相关位点能量和空间无序性对迁移率的影响。我们的分析基于正则立方和非立方Voronoi晶格。后者用于包括空间无序，以研究其对非晶态有机材料迁移率的影响。我们的结果表明，载流子迁移率受位能相关性的强烈影响。如在P3HT之类的半结晶聚合物中实验观察到的，强相关性甚至可以逆转迁移率的场依赖性。局部状态之间的局部电流的评估揭示了电流丝的相关性增加。此外，通过评估活动场所，研究了电场和能量景观对运输能量的影响。观察到传输能量，局部电流中的细丝与电荷载流子迁移率之间存在很强的相关性。正如其他研究人员所观察到的那样，我们对空间失调模型的研究并未表明场依赖性的倒置。
京公网安备 11010802027423号