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

Li, Yuanchao; Mi, Lu; Wang, Haibin; Li, Yuanzuo; Liang, Jianping

doi:10.3390/ma12010193

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

¹,

¹,

¹,

^1,*

and

Jianping Liang

^2,*

College of Science, Northeast Forestry University, Harbin 150040, China

Key Lab of Materials Modification, Ministry of Education, Dalian University of Technology, Dalian 116024, China

Authors to whom correspondence should be addressed.

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

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

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MDPI and ACS Style

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. https://doi.org/10.3390/ma12010193

AMA Style

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(1):193. https://doi.org/10.3390/ma12010193

Chicago/Turabian Style

Li, Yuanchao, Lu Mi, Haibin Wang, Yuanzuo Li, and Jianping Liang. 2019. "Design, Electron Transfer Process, and Opto-Electronic Property of Solar Cell Using Triphenylamine-Based D-π-A Architectures" Materials 12, no. 1: 193. https://doi.org/10.3390/ma12010193

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

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