Theoretical Studies on Metalloporphyrin鈥揚olyoxometalates Hybrid Complexes for Dye-Sensitized Solar Cells

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• 作者：Ting Zhang ; Wei Guan ; Shizheng Wen ; Tengying Ma ; Likai Yan ; Zhongmin Su
• 刊名：Journal of Physical Chemistry C
• 出版年：2014
• 出版时间：December 26, 2014
• 年：2014
• 卷：118
• 期：51
• 页码：29623-29628
• 全文大小：365K
• ISSN：1932-7455

文摘

We use time-dependent density functional theory methods to discuss the absorption spectra, electronic transition properties, and photovoltaic performance of metalloporphyrin鈥損olyoxometalates (POM) complexes for p-type dye-sensitized solar cells (DSSCs). The results show that the energy levels of the frontier molecular orbitals for dyes 2鈥?b>6 match the requirements of p-type DSSCs. The absorption spectra of dyes 2鈥?b>6 exhibit larger and broader absorptions compared to that of dye 1 by the introduction of POM. In addition, the photovoltaic performances of dyes 2鈥?b>6 are suitable for high-efficiency DSSCs. This paper is expected to advance the design of metalloporphyrin鈥揚OM hybrid dyes with excellent performance in DSSCs.