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Engineering of Polymer Bandgaps via Chemical Bond for Organic Solar Cells

Engineering of Polymer Bandgaps via Chemical Bond for Organic Solar Cells. Qiquan Qiao, Center for Advanced Photovoltaics , Electrical Engineering, South Dakota State University, Brookings, SD 57006. Figure 1. Chemical structures of different bond copolymers.

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Engineering of Polymer Bandgaps via Chemical Bond for Organic Solar Cells

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  1. Engineering of Polymer Bandgapsvia Chemical Bond for Organic Solar Cells Qiquan Qiao, Center for Advanced Photovoltaics, Electrical Engineering, South Dakota State University, Brookings, SD 57006 Figure 1. Chemical structures of different bond copolymers Figure2. UV-vis absorption spectra of DA1, DA2 and DA3 in dilute chloroform solutions and solid films Figure 3. The calculated bandgaps with increasing repeat units via DFT B3LYP/6-31G (d,p). • This result indicated that changing the linkers (aryl-aryl, aryl-vinyl-aryland aryl-vinyl-aryl ) between the electron-rich and electron-deficient units could tune the HOMO energy levels of the copolymers. • The optical and electrochemical properties results show that, compared to DA1 and DA3, the DA2 structure can keep almost the same LUMO energy level and increase the HOMO energy level of copolymer. Therefore, DA2led to the lowest bandgap of copolymer. • The quantum-chemical calculations results show that DA2 and DA3 have a higher degree of co-planarity (no larger than 5° dihedral angle), which may improve carrier mobility of solid film.

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