首页> 外文OA文献 >Polaron dynamics with impurities in conjugated polymers
【2h】

Polaron dynamics with impurities in conjugated polymers

机译:polaron动力学与共轭聚合物中的杂质

代理获取
本网站仅为用户提供外文OA文献查询和代理获取服务,本网站没有原文。下单后我们将采用程序或人工为您竭诚获取高质量的原文,但由于OA文献来源多样且变更频繁,仍可能出现获取不到、文献不完整或与标题不符等情况,如果获取不到我们将提供退款服务。请知悉。

摘要

We study the charge transport by polarons in conjugated polymers in the presence of impurities. The effects on the polaron motion due to the symmetry of the chain is considered. The polaron dynamics in doped conjugated polymers is numerically studied using the Su-Schrieffer-Heeger (SSH) model combined with the Pariser-Parr- Pople (PPP) model modified to include an external electric field and the Brazovskii-Kirova (BK) symmetry breaking interaction. The time dependent Hartree-Fock approximation is used. The electric field is used to accelerate the polaron in a polymer chain. Polaron trapped by the impurity and polaron-impurity collisions are considered. When the polaron-structure is around the impurity site a charge oscillation can be observed. Nevertheless, when there are collisions between the polaron and the impurity, the polaron-structure can pass, be trapped or be reflected. These effects are determined by the strength of the radical parameter and by the electric field intensity. The effects on the polaron are analyzed and an effective potential is determined. Therefore, the effective potential determines the polaron behavior for each case, as the polaron pass, or it is trapped or reflected by an impurity.
机译:我们研究了存在杂质时极化子在共轭聚合物中的电荷传输。考虑了由于链的对称性对极化子运动的影响。使用Su-Schrieffer-Heeger(SSH)模型与Pariser-Parr-Pople(PPP)模型结合修改以包含外部电场和Brazovskii-Kirova(BK)对称破坏的数值研究掺杂共轭聚合物中的极化子动力学相互作用。使用了时间相关的Hartree-Fock逼近。电场用于加速聚合物链中的极化子。考虑了杂质和极化子-杂质碰撞所俘获的极化子。当极化子结构在杂质位点附近时,可以观察到电荷振荡。然而,当极化子和杂质之间发生碰撞时,极化子结构可能会通过,被捕获或被反射。这些影响取决于自由基参数的强度和电场强度。分析对极化子的影响并确定有效电势。因此,当极化子通过或被杂质俘获或反射时,有效电势会决定每种情况下的极化子行为。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
代理获取

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号