| Autor: |
Yuan-Qing Lei, Jia-Qi Zhou, Jian Wang, Guang-Xin Gu, Hao Guo, Ran Jia |
| Jazyk: |
angličtina |
| Rok vydání: |
2018 |
| Předmět: |
|
| Zdroj: |
Journal of Saudi Chemical Society, Vol 22, Iss 5, Pp 594-600 (2018) |
| Druh dokumentu: |
article |
| ISSN: |
1319-6103 |
| DOI: |
10.1016/j.jscs.2017.10.005 |
| Popis: |
A series of newly designed Ru-dyes constructed with [Ru(bpy)(bpp)Cl]+ (bpp = 2,6-bis(N-pyrazolyl)pyridine, bpy = bipyridine) as template were evaluated by studying the frontier molecular orbital energy, charge distribution, absorption spectrum, light harvesting efficiency, as well as photogenerated current density by using (time-dependent) density functional theory. The calculation results reveal that the light harvesting efficiency and current density are enhanced with only one linkage group attached onto the 4 site of pyridine ligand. Mounting the linkage groups to 3 or 3′ position on pyridine ligand introduces super strong UV absorption. Keywords: DSSC, Ruthenium dyes, Absorption spectrum, Light-harvest efficiency |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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