Yang, Yu Seok Do Kim, Hyung Ryu, Jang-Hyun Kim, Kyung Kon Park, Sung Soo Ahn, Kwang-Soon Kim, Jae Hong 2024-01-20T17:03:57Z 2024-01-20T17:03:57Z 2021-09-02 2011-05 0379-6779 https://pubs.kist.re.kr/handle/201004/130417 Organic photo-sensitizers were designed and synthesized based on a phenothiazine framework containing single- and double-electron acceptors that were bridged with thiophene for the dye sensitized solar cells (DSSCs). The optimized geometries were determined with density functional theory (DFT) calculations to estimate the photovoltaic properties of the dyes in the design stage. The organic dye with the double electron acceptors exhibited a better light absorption at long wavelength and an effective electron extraction pathway from the electron donor to the TiO2 surface, leading to an improved short-circuit current (11.6 mA cm(-2)), compared with that of the dye with the single electron acceptor (10.2 mA cm(-2)) and the conventional N3 Ru-dye (10.4 mA cm(-2)). Contrarily, the open-circuit voltage of the organic dye with the double electron acceptors decreased because the additional protonated carboxylic groups caused a positive shift in the Fermi level of TiO2. (C) 2011 Elsevier B.V. All rights reserved. English ELSEVIER SCIENCE SA HIGH-EFFICIENCY COUMARIN DYES MOLECULAR DESIGN MOIETY Effects of anchoring groups in multi-anchoring organic dyes with thiophene bridge for dye-sensitized solar cells Article 10.1016/j.synthmet.2011.02.012 1 SYNTHETIC METALS, v.161, no.9-10, pp.850 - 855 SYNTHETIC METALS 161 9-10 850 855 scie scopus 000291832800032 2-s2.0-79955706462 Materials Science, Multidisciplinary Physics, Condensed Matter Polymer Science Materials Science Physics Polymer Science Article HIGH-EFFICIENCY COUMARIN DYES MOLECULAR DESIGN MOIETY Dye-sensitized solar cells Organic dyes Multi-anchoring groups Short-circuit current enhancement Thiophene bridge Structure optimization