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Oligothiophene photovoltaic material as well as preparation method and application thereof

A photovoltaic material and oligothiophene technology, which is used in photovoltaic power generation, semiconductor/solid-state device manufacturing, electrical components, etc., and can solve the problem of insufficient variety of donor materials.

Inactive Publication Date: 2020-08-07
SOUTHWEST UNIVERSITY
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

However, the types of donor materials that can be selected in the photoactive layer with excellent performance are still not wide enough, especially the types of small molecule donor materials are even less

Method used

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  • Oligothiophene photovoltaic material as well as preparation method and application thereof
  • Oligothiophene photovoltaic material as well as preparation method and application thereof
  • Oligothiophene photovoltaic material as well as preparation method and application thereof

Examples

Experimental program
Comparison scheme
Effect test

Embodiment 1

[0020] Example 1 Synthesis of oligothiophene photovoltaic material DRCN5T2Cl

[0021] (1) Synthesis of compound 3:

[0022] Compound 1 (745mg, 1.50mmol), Compound 2 (297mg, 0.62mmol), Pd 2 (dba) 3 (55 mg, 0.06 mmol) and tris(o-tolyl)phosphine (91 mg, 0.30 mmol) were dissolved in 20 mL of degassed chlorobenzene and placed in a dry Schlenk tube. The mixture was heated for 48 hours. After the reaction, the organic layer was washed with brine and washed with CH 2 Cl 2 (3×40mL) extraction, then Na 2 SO 4 dry. After removing the solvent, the crude product was purified by silica gel to give compound 3.

[0023]

[0024] (2) Synthesis of product DRCN5T2Cl:

[0025] A mixture of compound 3 (306 mg, 0.31 mmol) and compound 4 (608 mg, 3.14 mmol) was dissolved in anhydrous chloroform (40 mL), and basic Al 2 o 3 After (excess), the mixture was stirred and the reaction was heated for 24 hours. After cooling, the mixture was filtered and washed with chloroform (3 x 50 mL). Th...

Embodiment 2

[0027] Embodiment 2 theoretical calculation

[0028] The present invention uses density functional theory (DFT) and time-dependent density functional theory (TDDFT) to calculate the LUMO / HOMO energy and energy gap, open circuit voltage, dipole moment and exciton binding energy of DRCN5T and DRCN5T2Cl.

[0029] (1) Using CAM-B3LYP density functional to calculate LUMO / HOMO energy and energy gap, the results are shown in figure 1 Among them, the HOMO of DRCN5T2Cl is lower than that of DRCN5T, and the energy gap becomes larger than that of DRCN5T. The lower HOMO energy level can further increase the open circuit voltage, which can improve the photovoltaic performance of the device as a whole. A larger energy gap will lead to a further blue shift in the absorption spectrum of the molecule, which is more spectrally complementary to the non-fullerene acceptor material whose main absorption peak is near the near-infrared region.

[0030] (2) Open circuit voltage (Voc) is one of the ...

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Abstract

The invention discloses an oligothiophene photovoltaic material as well as a preparation method and application thereof. According to the preparation method, Cl is used for replacing DRCN5T to obtainDRCN5T2Cl; lUMO / HOMO energy and energy gap, open-circuit voltage, dipole moment and exciton binding energy are theoretically calculated; it is found that when compared with the DRCN5T, the DRCN5T2Cl has lower HOMO energy level, larger band gap, higher open-circuit voltage, smaller dipole moment and exciton binding energy, so that the DRCN5T2Cl can be used as an excellent organic solar cell electron donor material.

Description

technical field [0001] The invention relates to the technical field of organic solar cells, in particular to an oligothiophene photovoltaic material and its preparation method and application. Background technique [0002] Today's energy and environmental issues are becoming more and more prominent, and seeking new green and pollution-free energy has always been a global priority. Solar energy has become the development direction of green energy in today's society due to its inexhaustible, inexhaustible, environmentally friendly and safe advantages, and the solar cell technology that converts solar energy into electrical energy is the research focus of development and application in recent years . [0003] Organic solar cells (OSCs) have the advantages of wide source of materials, easy structure adjustment, simple manufacturing process, solution processing, and large-area flexible devices, etc., and have attracted extensive attention from all over the world. Among them, th...

Claims

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Application Information

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IPC IPC(8): C07D417/14H01L51/42H01L51/46
CPCC07D417/14H10K85/6576H10K85/657H10K30/00Y02E10/549
Inventor 向芸颉郑绍辉
Owner SOUTHWEST UNIVERSITY
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