Theoretical Studies of Polythiophene and It’s Derivatives for Bulkheterojunction Solar Cells
碩士 === 淡江大學 === 化學學系碩士班 === 98 === Polythiophene belongs to a highly π-conjugated polymer. It is often used to be the donor on the bulkheterojunction organic solar cell. Changed the substituting group or atom in electron-donating molecule in BHJ solar cell can affect the structure, the absorption sp...
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| Format: | Others |
| Language: | zh-TW |
| Published: |
2010
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| Online Access: | http://ndltd.ncl.edu.tw/handle/50288163511123531270 |
| Summary: | 碩士 === 淡江大學 === 化學學系碩士班 === 98 === Polythiophene belongs to a highly π-conjugated polymer. It is often used to be the donor on the bulkheterojunction organic solar cell. Changed the substituting group or atom in electron-donating molecule in BHJ solar cell can affect the structure, the absorption spectrum and the energy gap. And discussing these effects can offer the researchers to design a suitable electron-donating material which applied in BHJ solar cell.
In this study, structures of the polythiophene and its derivatives are calculated used DFT/b3lyp/6-31g* method. We had discussed these substituted effects on the polythiophene and polymers with significant conjugated character will let the energy gap to be lower. This property is good for electron to be excited by sunlight and improve the solar-energy -to-electricity efficiency. Polythiophene derivatives with highly π-conjugated character will let the absorption spectrum more extensive, and also increase the opportunity to convert solar energy to electricity energy. Comparing energy level of HOMO and LUMO of the polythiophene derivatives with those of PCBM, which is often be used to be an accepter on the bulkheterojuction solar cell.These results can be the reference to researchers for developing a novel BHJ solar cell.
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