Exploring the Optimal Photovoltaic Properties of PT:PCBM Bulk Heterojunction Organic Solar Cells from the Perspective of Nanomorphology Evolution
碩士 === 國立臺灣大學 === 高分子科學與工程學研究所 === 103 === The bulk heterojunction morphology of thiophene-based polymers / [6,6]-phenyl-C61 butyric acid methyl ester (PCBM) with various blending ratio, grafting density and length of alkyl side-chains are systematically simulated by the coarse-grained molecular...
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| Format: | Others |
| Language: | zh-TW |
| Published: |
2015
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| Online Access: | http://ndltd.ncl.edu.tw/handle/8hmcz8 |
| Summary: | 碩士 === 國立臺灣大學 === 高分子科學與工程學研究所 === 103 === The bulk heterojunction morphology of thiophene-based polymers / [6,6]-phenyl-C61 butyric acid methyl ester (PCBM) with various blending ratio, grafting density and length of alkyl side-chains are systematically simulated by the coarse-grained molecular dynamics (CGMD) simulations. All the intramolecular and intermolecular parameters are obtained through combination with parameters of ours and paper by mixing rules. The thiophene-based polymers have three different grafting density, and we changed the blending ratio of polymer and PCBM to observe the correlation of photovoltaic properties and morphologies. We adopted Pao’s and Lee’s method to analyze photovoltaic properties in our system by cutting system box to many grids. The interfacial-to-value changed with the side-chain density and the molecular structure. The percolation ratio increased with decreasing the grafting density, resulting from contact probability between main-chain. The domain size increased wih the grafting density of side-chains increasing because of the increase of domain size by increase of side-chain density.
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