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    NCU Institutional Repository > 理學院 > 化學學系 > 期刊論文 >  Item 987654321/101633


    請使用永久網址來引用或連結此文件: https://ir.lib.ncu.edu.tw/handle/987654321/101633


    題名: Diastereoisomers of Ruthenium Dyes with Unsymmetric Ligands for DSC: Fundamental Chemistry and Photovoltaic Performance
    作者: 陳家原;Li, Jheng-Ying;Lee, Chia;Chen, Chia-Yuan;Lee, Wen-Long;Ma, Ren;Wu, Chun-Guey
    貢獻者: 理學院化學學系
    日期: 2015-10-19
    上傳時間: 2026-04-21 14:39:36 (UTC+8)
    出版者: American Chemical Society;United States: American Chemical Society
    摘要: 摘要: A new thiocyanic acid-free ruthenium sensitizer, CYC-B29, containing two unsymmetrical ancillary ligands, was synthesized, and its three diastereoisomers CYC-B29-CC, CYC-B29-TT, and CYC-B29-CT with significantly different optical, electronic, and electrochemical properties were carefully separated. CYC-B29-TT with the smallest size has the strongest absorption coefficient of the MLCT band, the shortest λmax, the lowest highest occupied molecular orbital level and the highest dye loading. Therefore, dye-sensitized solar cell based on CYC-B29-TT has the highest efficiency, which is two times higher than that of CYC-B29-CC-sensitized device and 10% higher than that of N719-based cell. Time-dependent density functional theory-calculated transition bands for the three isomers are not identical, and only CYC-B29-TT has the calculated transition bands close to the experimental absorption profile. Although the calculated transition bands for CYC-B29-CC and CYC-B29-CT are not consistent with the experimental data, the ground-state vertical excitation energy with oscillator strength and electron-density difference map data combining with the dye loading predict correctly the order of the photocurrent for the three isomers sensitized devices.
    其他題名: Inorg. Chem
    出版者: United States: American Chemical Society
    出版日期: 2015-11-02
    出處: Inorganic chemistry, 2015-11, Vol.54 (21), p.10483-10489
    資源來源: American Chemical Society Journals
    版權: Copyright © 2015 American Chemical Society
    識別號: ISSN: 0020-1669
    識別號: EISSN: 1520-510X
    識別號: DOI: 10.1021/acs.inorgchem.5b01967
    識別號: PMID: 26479183
    顯示於類別:[化學學系] 期刊論文

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