| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7764851 | Polyhedron | 2015 | 32 Pages |
Abstract
Ru can be replaced by inexpensive Fe as the photo-sensitizer for DSSCs. ÎEL-H may be reduced by a low electronegative metal atom and a Ï-electron rich ligand. UV-Vis absorption intensity may be enhanced by a Ï-electron rich ligand as well as solvent.81
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Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
![DFT and TD-DFT study on structures, related energies, frontier molecular orbitals and UV-Vis spectra of [M(Tp)(PPh3)(Cl)(L)] (MÂ =Â Ru and Fe; LÂ =Â C3H4N2 and C13H11N)](/preview/png/7764851.png "First Page Preview: DFT and TD-DFT study on structures, related energies, frontier molecular orbitals and UV-Vis spectra of [M(Tp)(PPh3)(Cl)(L)] (MÂ =Â Ru and Fe; LÂ =Â C3H4N2 and C13H11N)")
Authors
Tsang-Hsiu Wang, Ching-Hsiang Hsiao, Shih-Hsiung Chen, Yi-Tung Cheng, Li-Yun Chen,