Preprint Article Version 1 This version is not peer-reviewed

Characterization of Photophysical Properties of D−π−A−π−D Type Diketopyrrolopyrrole Based Molecules for Organic Light-Emitting diodes and Organic Solar Cells

Version 1 : Received: 30 May 2019 / Approved: 31 May 2019 / Online: 31 May 2019 (11:05:22 CEST)

How to cite: Jin, R.; Zhang, X.; Xiao, W. Characterization of Photophysical Properties of D−π−A−π−D Type Diketopyrrolopyrrole Based Molecules for Organic Light-Emitting diodes and Organic Solar Cells. Preprints 2019, 2019050385 (doi: 10.20944/preprints201905.0385.v1). Jin, R.; Zhang, X.; Xiao, W. Characterization of Photophysical Properties of D−π−A−π−D Type Diketopyrrolopyrrole Based Molecules for Organic Light-Emitting diodes and Organic Solar Cells. Preprints 2019, 2019050385 (doi: 10.20944/preprints201905.0385.v1).

Abstract

A series of D–π–A diketopyrrolopyrrole (DPP)-based small molecules have been designed for organic light-emitting diodes (OLEDs) and organic solar cells (OSCs) applications. Appling the PBE0/6-31G(d,p) method, the ground state geometry and relevant electronic properties were investigated. The first excited singlet state geometry and the absorption and fluorescent spectra were simulated at the TD-PBE0/6-31G(d,p) level. The calculated results reveal that the photophysical properties are affected through the introduction of different end groups. Furthermore, the electronic transitions corresponding to absorption and emission exhibit intramolecular charge transfer feature. It was disclosed that the designed molecules act not only as luminescent for OLEDs, but also donor materials in OSCs. Moreover, they also can be used as potential electron transfer materials using for OLEDs and OSCs.

Subject Areas

diketopyrrolopyrrole (DPP)-based molecules; photophysical properties; Charge transporting property; organic light-emitting diodes (OLEDs); organic solar cells (OSCs).

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