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Materials 2019, 12(1), 193; https://doi.org/10.3390/ma12010193

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

1
College of Science, Northeast Forestry University, Harbin 150040, China
2
Key Lab of Materials Modification, Ministry of Education, Dalian University of Technology, Dalian 116024, China
*
Authors to whom correspondence should be addressed.
Received: 29 November 2018 / Revised: 23 December 2018 / Accepted: 28 December 2018 / Published: 8 January 2019
(This article belongs to the Special Issue Interface Engineering in Organic/Inorganic Hybrid Solar Cells)
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Abstract

A series of D-π-A type dyes were designed based on the experimentally synthesized A1 by introducing different functional groups on the donor and π-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 ( Δ G i n j e c t ), reorganization energy ( Δ 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 ( Δ G i n j e c t ), reorganization energy ( Δ 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. View Full-Text
Keywords: opto-electronic property; dye-sensitized solar cells; density functional theory; electronic structure opto-electronic property; dye-sensitized solar cells; density functional theory; electronic structure
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Li, Y.; Mi, L.; Wang, H.; Li, Y.; Liang, J. Design, Electron Transfer Process, and Opto-Electronic Property of Solar Cell Using Triphenylamine-Based D-π-A Architectures. Materials 2019, 12, 193.

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