Modeling Charge Recombination in Dye-Sensitized Solar Cells using First-Principles Electron Dynamics

来源 :International Conference on Nanoscience & Technology,China 2 | 被引量 : 0次 | 上传用户：gpm

【摘要】

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【作者】

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Wei Ma Yang Jiao Sheng Meng

【机构】

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Beijing National Laboratory for Condensed Matter Physics,and Institute of Physics,Chinese Academy of

【出处】

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International Conference on Nanoscience & Technology,China 2

【发表日期】

：

2013年3期

【关键词】

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Donor-π-Acceptor dyes Dye-sensitized solar ceils Time-dependent density function

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　　We have performed real-time excited state simulations of electron injection and charge recombination at dye/semiconductor interface within the framework of time-dependent density functional theory (TDDFT).We found that by inserting a phenyl ring in the organic dye, charge recombination rate has been slowed down by about four times, while the injection rate keeps almost the same.

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Modeling Charge Recombination in Dye-Sensitized Solar Cells using First-Principles Electron Dynamics

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