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제109회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Electronic Optimization of Heteroleptic Ru(II) Bipyridine Complexes by Remote Substituents: Synthesis, Characterization, and Application to Dye-Sensitized Solar Cells

등록일
2012년 2월 14일 14시 49분 19초
접수번호
0256
발표코드
INOR.P-143 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
4월 25일 (수요일) 18:00~21:00
발표형식
포스터
발표분야
무기화학
저자 및
공동저자
위경량, 이종대1, 강상욱
고려대학교 소재화학과, Korea
1조선대학교 화학과, Korea
We prepared a series of new heteroleptic ruthenium(II) complexes, Ru(NCS)2LL′ (3a?3e), where L is 4,4′-di(hydroxycarbonyl)-2,2′-bipyridine and L′ is 4,4′-di(p-X-phenyl)-2,2′-pyridine (X = CN (a), F (b), H (c), OMe (d), and NMe2 (e)), in an attempt to explore the structure?activity relationships in their photophysical and electrochemical behavior and in their performance in dye-sensitized solar cells (DSSCs). When substituent X is changed from electron-donating NMe2 to electron-withdrawing CN, the absorption and emission maxima reveal systematic bathochromic shifts. The redox potentials of these dyes are also significantly influenced by X. The electronic properties of the dyes were theoretically analyzed using density functional theory calculations; the results show good correlations with the experimental results. The solar-cell performance of DSSCs based on dye-grafted nanocrystalline TiO2 using 3a?3e and standard N3 (bis[(4,4′-carboxy-2,2′-bipyridine)(thiocyanato)]ruthenium(II)) were compared, revealing substantial dependences on the dye structures, particularly on the remote substituent X. The 3d-based device showed the best performance: η = 8.30%, JSC = 16.0 mA?cm?2, VOC = 717 mV, and ff = 0.72. These values are better than N3-based device.

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