Molecular Dynamics of the Assembly Modes of the Oligothiophene Polymers with Different Chain Lengths

摘要：

　　The spatial packing modes of organic hole transporting materials exert a significant effect on the charge mobility.However it is difficult to reasonably design the materials with high-charge transfer performances due to the limits of the data regarding crystal structures.In this work, molecular dynamics simulation was used to find the new spatial packing ways of organic photoelectric materials containing oligothiophene based on randomly distributed initial structures.This work lays a theoretical foundation for designing favorable organic carrier transporting materials.

关键词： Oligothiophene Solar cells Molecular dynamics simulation Self-assembly

作者: Li-lin Zhu Bing Zhang Kai-xuan Zhou Jian-xi Yao Song-yuan Dai

作者单位: State Key Laboratory of Alternate Electrical Power System with Renewable Energy Sources,North China Renewable Energy School, North China Electric Power University, Zhuxinzhuang,Changping District, Bei

会议类型: 国际会议

会议名称: The 2016 China Functional Materials Technology and Industry Forum (2016中国国际功能材料大会暨第九届中国功能材料及其应用学术会议)

会议地点: 重庆

会议语种:英文

页码: 476-481

在线出版日期: 2016-07-25（万方平台首次上网日期，不代表论文的发表时间）