A Class of Semiconducting Polymers as Potential Materials for Polymer Solar Cells

Abstract

In this work, fifteen polymers have been studied to test their potential as donors for polymer solar cells by density functional theory. Those polymers contained five homopolymers based on pyridazine, [1,2,thiadiazolo [3,4-pyridazine, [1,2,oxadiazole [3,4-pyridazine, isothiazolo [3,4-pyridazine and isoxazolo [3,4-pyridazine, and ten copolymers composed of the above compounds and thiophene incorporated with 1:1 and 1:2 ratios. The fifteen polymers have been examined in terms of the abilities of absorbing sunlight, stabilities in the environment, and photovoltaic properties. The results suggest that the copolymes DTHP, DTHTP, DTHOP, DTHITP, and DTHIXP are good material candidates of polymer donor for polymer solar cells.

Structural Engineering in Polymer Semiconductors with Aromatic N-Heterocycles

“…Theoretical studies infer that such structure is a building block for potential optoelectronics materials, showing a more electron-deficient nature than benzothiadiazole and thiadiazolopyridine. 192,193 In an effort to use this building block, Leventis and co-workers synthesized thiadiazolopyridazine-based copolymer for use in field-effect transistor applications. 194 This building block was coupled with alkylated thiophene to ensure the solubility.…”

“…Thiadiazolopyridazine represents another building block with fused pyridiazine. , The brominated thiadiazolopyridazine monomer was obtained from acid hydrolysis of thiadiazole-3,4-dicarbohydrazide and subsequent bromination with PBr 5 . Theoretical studies infer that such structure is a building block for potential optoelectronics materials, showing a more electron-deficient nature than benzothiadiazole and thiadiazolopyridine. , In an effort to use this building block, Leventis and co-workers synthesized thiadiazolopyridazine-based copolymer for use in field-effect transistor applications . This building block was coupled with alkylated thiophene to ensure the solubility.…”