• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文会议>Conference on organic photovoltaics >Multiscale analysis of the effect of micro-phase separation on the charge transfer at the PEDOT:PSS and P3HT:PCBM layer interface
【24h】

Multiscale analysis of the effect of micro-phase separation on the charge transfer at the PEDOT:PSS and P3HT:PCBM layer interface

机译：微相分离对PEDOT：PSS和P3HT：PCBM层界面处电荷转移的影响的多尺度分析

获取原文
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

The influence of micro phase behavior on the charge transfer at the interface between PEDOT:PSS and P3HT:PCBM layers was studied using multiscale analysis. Calculated Flory-Huggins parameters indicated that the PEDOT attracts P3HT and repulses PCBM that agrees well with the experimental observation of the development of P3HT rich interface during the BHJ layer formation. Based on the calculated Flory-Huggins parameters, mesoscale DPD simulations were conducted for PEDOT:PSS and P3HT:PCBM layers. Results were mapped to the CG (coarse grained) and then atomistic scales where atomistic details of the interface were studied. The density of nonbonding close contacts including that from reorientation between PEDOT and P3HT was quantified, vibronic coupling and carrier transfer efficiency were discussed.
机译：使用多尺度分析研究了微相行为对PEDOT：PSS和P3HT：PCBM层之间界面上电荷转移的影响。计算出的Flory-Huggins参数表明PEDOT吸引了P3HT并排斥PCBM，这与在BHJ层形成过程中富P3HT界面发展的实验观察非常吻合。基于计算出的Flory-Huggins参数，对PEDOT：PSS和P3HT：PCBM层进行了中尺度DPD模拟。将结果映射到CG（粗粒度），然后映射到原子尺度，在该尺度上研究了界面的原子细节。定量了非结合紧密接触的密度，包括PEDOT和P3HT之间重新定向的密度，讨论了电子耦合和载流子传输效率。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

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