Exploring the regeneration process of ruthenium(II) dyes by cobalt mediator in dye-sensitized solar cells from first-principle calculations
文献类型：期刊论文
| 作者 | Sun,Zhu-Zhu; Li,Quan-Song; Zhang,Min; Li,Ze-Sheng |
| 刊名 | journal of power sources
 |
| 出版日期 | 2015 |
| 卷号 | 294页码:264-271 |
| 关键词 | DENSITY-FUNCTIONAL THEORY ELECTRON-TRANSFER REDOX MEDIATORS ORGANIC-DYES TIO2 FILMS COMPLEXES RECOMBINATION PERFORMANCE COUPLES PROTONATION |
| 通讯作者 | li,qs |
| 英文摘要 | the regeneration of ruthenium(ii) dyes by cobalt redox mediator in dye-sensitized solar cells (dsscs) has been investigated using density functional theory combined with the marcus theory of electron transfer. our results show that the regeneration reaction rates gradually increase with the growth of the dye protonation degree. by comparing the natures of protonated and deprotonated states, we reveal that design of charge-neutral dye is the best choice to obtain fast dye regeneration and suppress the undesired recombination reaction of the injected photoelectrons. furthermore, the dye-cobalt mediator associated configuration is found to influence the regeneration reaction rates remarkably by varying the electronic coupling energy. the electronic coupling energy largely depends on the frontier orbitals distribution of the reactants, so the matching of the electronic configuration of the dyes and the cobalt mediators should be judiciously conceived. (c) 2015 elsevier b.v. all rights reserved. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000358968400034 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/64791]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Sun,Zhu-Zhu,Li,Quan-Song,Zhang,Min,et al. Exploring the regeneration process of ruthenium(II) dyes by cobalt mediator in dye-sensitized solar cells from first-principle calculations[J]. journal of power sources,2015,294:264-271. |
| APA | Sun,Zhu-Zhu,Li,Quan-Song,Zhang,Min,&Li,Ze-Sheng.(2015).Exploring the regeneration process of ruthenium(II) dyes by cobalt mediator in dye-sensitized solar cells from first-principle calculations.journal of power sources,294,264-271. |
| MLA | Sun,Zhu-Zhu,et al."Exploring the regeneration process of ruthenium(II) dyes by cobalt mediator in dye-sensitized solar cells from first-principle calculations".journal of power sources 294(2015):264-271. |
入库方式： OAI收割
来源：长春应用化学研究所
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