First Principles Design of Dye Molecules with Ullazine Donor for Dye Sensitized Solar Cells
文献类型：期刊论文
| 作者 | Feng, J ; Jiao, Y ; Ma, W ; Nazeeruddin, MK ; Gratzel, M ; Meng, S |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
 |
| 出版日期 | 2013 |
| 卷号 | 117期号:8页码:3772 |
| ISSN号 | 1932-7447 |
| 通讯作者 | Meng, S (reprint author), Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. |
| 中文摘要 | We design a series of metal-free donor-pi-bridge molecules (denoted VB0-VB4) based on a new donor group-ullazine donor-as sensitizers for dye sensitized solar cell (DSSC) applications. Density functional theory (DFT) and time-dependent DFT calculations reveal that the physical properties of dyes, including spectral response, light harvesting efficiency, and electron injection rate, are systematically improved by combining ullazine donor to a series of length changing pi bridges. Dye VB2 is the best candidate thanks to its outstanding performance on key parameters and achieving a balance between competing factors. Compared to two other series of molecules-L and M dyes, which differ from VB dyes by only the donor group-VB dyes have the largest light harvesting efficiency and the largest number of electrons injected to the conduction band of TiO2. These results suggest that the ullazine group can serve as an excellent donor for future DSSC applications. |
| 资助信息 | NSFC [11074287]; MOST [2012CB921403]; hundred talent program of CAS |
| 语种 | 英语 |
| 公开日期 | 2014-01-16 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/57022]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Feng, J,Jiao, Y,Ma, W,et al. First Principles Design of Dye Molecules with Ullazine Donor for Dye Sensitized Solar Cells[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2013,117(8):3772. |
| APA | Feng, J,Jiao, Y,Ma, W,Nazeeruddin, MK,Gratzel, M,&Meng, S.(2013).First Principles Design of Dye Molecules with Ullazine Donor for Dye Sensitized Solar Cells.JOURNAL OF PHYSICAL CHEMISTRY C,117(8),3772. |
| MLA | Feng, J,et al."First Principles Design of Dye Molecules with Ullazine Donor for Dye Sensitized Solar Cells".JOURNAL OF PHYSICAL CHEMISTRY C 117.8(2013):3772. |
入库方式： OAI收割
来源：物理研究所
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