Journal of Chemistry

Papers

Voulume: 15
Issue: 6
Article No. 1
Understanding the effect of terminal electron-deficient group on the performance of small molecule acceptor in organic solar cells
ASIF MAHMOOD1,2
1CAS Key Laboratory of Nanosystem and Hierarchical Fabrication, CAS Center for Excellence in Nanoscience, National Center for Nanoscience and Technology, Beijing 100190, P. R. (China) 2University of Chinese Academy of Sciences, Beijing 100049, P. R. (China)
Abstract :

End groups plays very important role to tune the properties and performance of small molecule acceptors. In this study, theoretical analysis was performed to find the reason why two similar molecule differ in end-group showed much different performance in organic solar cells. 1,1-dicyanomethylene-3-indanone based small molecule acceptor (DC-IDT2Tz) showed higher transition dipole moment as compare with malononitrile based small acceptor (MN-IDT2Tz). DC-IDT2Tz showed lower exciton binding energy as compare to MN-IDT2Tz. As well as, DC-IDT2Tz showed lower reorganization energy and higher transfer integral as compare with that of MNIDT2Tz. All the theoretical descriptors are explaining reason behind the higher efficiency of DC-IDT2Tz. Studying theoretical parameters can help to check the performance of organic semi-conductor before synthesis. This work will be helpful for experimental scientists to screen the compounds and to select best one for synthesis.

Keyword : Organic solar cells, small molecule acceptors, PTB7-Th, exciton binding energy
Paper Download Count : 49
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