论文标题
供体共聚物有组织的纳米结构中的准粒子和带传输
Quasiparticles and Band Transport in Organized Nanostructures of Donor-Acceptor Copolymers
论文作者
论文摘要
有机半导体设备的性能与自组装分子和聚合物的高度排序的纳米结构有关。我们采用多体扰动理论，并研究散装组合物中的激发态。我们发现聚合物支架中的受体引入了迄今未识别的传导杂质带。供体单位被共轭带包围，这些带只有受体的存在轻度扰动。沿着聚合物轴，共聚物链之间的相互作用阻碍了有效的带传输，但是，在各个链中，这一相互作用却大大增强。我们发现，孔最有效地在$π-π$堆叠中运输，而杂质带中的电子遵循边缘到边缘的方向。共聚物表现出具有倒运极性的区域，其中电子和孔在相互正交的方向上有效地运输。
The performance of organic semiconductor devices is linked to highly-ordered nanostructures of self-assembled molecules and polymers. We employ many-body perturbation theory and study the excited states in bulk compolymers. We discover that acceptors in the polymer scaffold introduce a, hitherto unrecognized, conduction impurity band. The donor units are surrounded by conjugated bands which are only mildly perturbed by the presence of acceptors. Along the polymer axis, mutual interactions among copolymer strands hinder efficient band transport, which is, however, strongly enhanced across individual chains. We find that holes are most effectively transported in the $π-π$ stacking while electrons in the impurity band follow the edge-to-edge directions. The copolymers exhibit regions with inverted transport polarity, in which electrons and holes are efficiently transported in mutually orthogonal directions.
