Diastereoisomers of Ruthenium Dyes with Unsymmetric Ligands for DSC: Fundamental Chemistry and Photovoltaic Performance

Please use this identifier to cite or link to this item: https://ir.lib.ncu.edu.tw/handle/987654321/101629

Title:	Diastereoisomers of Ruthenium Dyes with Unsymmetric Ligands for DSC: Fundamental Chemistry and Photovoltaic Performance
Authors:	吳春桂;Li, Jheng-Ying;Lee, Chia;Chen, Chia-Yuan;Lee, Wen-Long;Ma, Ren;Wu, Chun-Guey
Contributors:	理學院化學學系
Date:	2015-10-19
Issue Date:	2026-04-21 14:39:34 (UTC+8)
Publisher:	American Chemical Society;United States: American Chemical Society
Abstract:	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
Appears in Collections:	[Department of Chemistry] journal & Dissertation

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