期刊
POLYMERS
卷 14, 期 3, 页码 -出版社
MDPI
DOI: 10.3390/polym14030513
关键词
charge transfer; DFT; optical transient; optoelectronic; solar cells
资金
- Princess Nourah bint Abdulrahman University Researchers Supporting Project, Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia [PNURSP2022R56]
A new copolymer composed of MEH-PPV and P3HT has been studied, and its structure and optoelectronic properties were simulated by calculations. The copolymer shows unique properties compared to the basic homopolymers, and can be mixed with PCBM to be used as an active layer for an organic solar cell.
A new copolymer has been studied, which is formed by Poly(2-methoxy-5-(2-ethyl-hexyloxy)-1,4-phenylene-vinylene) (MEH-PPV) and poly(3-hexylthiophene) (P3HT). The choice of these pi-conjugated polymers was based on their semiconductor characters and their great applicability in electronic organic devices. The structure and vibrational and optoelectronic properties were simulated by calculations based on DFT, TD-DFT, and ZINDO. This material shows original and unique properties compared to the basic homopolymers. Thus, the obtained results reveal that this copolymer can be mixed with the (6,6)-phenyl C61 butyric acid methyl ester (PCBM) to give existence to a new composite that can be used as an active layer for an organic solar cell.
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