Design, Electron Transfer Process, and Opto-Electronic Property of Solar Cell Using Triphenylamine-Based D-?-A Architectures.

ABSTRACT: A series of D-?-A type dyes were designed based on the experimentally synthesized A1 by introducing different functional groups on the donor and ?-spacer, and the optical and electrical properties were calculated by using density functional theory (DFT) and time-dependent DFT (TD-DFT). P1?P6 present highest light harvesting efficiency (LHE), driving force of electron injection ( ? G i n j e c t ), reorganization energy ( ? G r e g ) and e V O C . These critical parameters have a close relationship with the short-circuit current density ( J S C ) and open-circuit photovoltage ( V O C ), and lead to P1?P6 will exhibit higher efficiency. D4 also exhibit superior properties in the driving force of electron injection ( ? G i n j e c t ), reorganization energy ( ? G r e g ), which will lead to a higher short-circuit current density ( J S C ). We hope that these results will be helpful for experiments to synthesize new and highly efficient dyes.

SUBMITTER: Li Y 

PROVIDER: S-EPMC6337444 | biostudies-literature | 2019 Jan

REPOSITORIES: biostudies-literature