Issue 3, 2018

π-Bridge modification of thiazole-bridged DPP polymers for high performance near-IR OSCs

Abstract

Thiophene-bridged and thiazole-bridged diketopyrrolopyrrole (DPP) polymers for near-infrared (near-IR) photovoltaic applications have been investigated via density functional theory (DFT) and Marcus charge transfer theory. Compared with thiophene-bridged DPP polymers, thiazole-bridged polymers have higher ionization potentials (IPs) but poorer optical absorption and worse charge transport capability. Different beneficial substituents replaced the hydrogen atoms (H) on the thiazole rings for the sake of reversing the disadvantages of thiazole-bridged DPP polymers and making these compounds better near-infrared absorbing materials. In order to gain deep insight into the impact of π-bridge modification on the photoelectronic properties of DPP polymers, their electronic structures, absorption capabilities, intramolecular charge transfer properties and charge transport performances have been analyzed. The calculated results reveal that π-bridge modification is a feasible way to improve the light-absorbing capability, electron excitation properties and charge transport performance of thiazole-bridged DPP polymers. It is expected that π-bridge modification can also work for other polymers containing π-bridge units. We hope that our research efforts will be helpful in the designing of new near-IR absorbing materials and could motivate further improvement of organic solar cells.

Graphical abstract: π-Bridge modification of thiazole-bridged DPP polymers for high performance near-IR OSCs

Supplementary files

Article information

Article type
Paper
Submitted
11 Sep 2017
Accepted
01 Dec 2017
First published
01 Dec 2017

Phys. Chem. Chem. Phys., 2018,20, 1664-1672

π-Bridge modification of thiazole-bridged DPP polymers for high performance near-IR OSCs

K. Sun, X. Tang, Y. Ran, R. He, W. Shen and M. Li, Phys. Chem. Chem. Phys., 2018, 20, 1664 DOI: 10.1039/C7CP06195A

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements