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Photoinduced charge transfer in quasi-one-dimensional polymers in two-photon absorption

机译:两维聚合物中的光突出电荷转移在双光子吸收中

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In this work, we theoretically investigate the structure and the transition characteristics of one- (OPA) and two-photon absorption (TPA) spectra of different length neutral and charged thiophene polymers. The effects and regulation of different charges on photoinduced charge transfer are discovered and their physical mechanisms are explained. We find that both the OPA and TPA spectra undergo a sizeable redshift after the charge is injected into the polymer, and the redshift after the positive charge injection is excellent. The alternating charge transfer that occurs in a two-photon transition of a charged system is derived from the alternating distribution of charge (dipole moment) in the dynamics of the system. To study the gradual behavior of infinite polymers, we also theoretically calculated the optical properties and electronic structures of infinitely long thiophene polymers under different electrical charge injections by a one-dimensional periodic model. The redshift of the OPA and TPA spectra is found to be due to orbital energy level movement.
机译:在这项工作中,我们理论上研究了不同长度中性和带电硫代丙烯烯聚合物的单个(OPA)和双光子吸收(TPA)光谱的结构和转变特性。发现了不同电荷对光抑制电荷转移的影响和调节,并解释了它们的物理机制。我们发现,在将电荷注入聚合物后,OPA和TPA光谱都经过相当大的红移,并且在正电荷注入后的红移优异。在带电系统的双光子转变中发生的交替电荷转移来自系统动态的电荷(偶极矩)的交替分布。为了研究无限聚合物的逐渐行为,我们还通过一维周期性模型理论地计算了不同电荷注入的无限长的噻吩聚合物的光学性质和电子结构。发现OPA和TPA光谱的红移是由于轨道能级运动。

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