Preparation and application of new ruthenium(II) polypyridyl complexes as sensitizers for nanocrystalline TiO2

Structures and spectroscopic properties of ruthenium phenanthroline solar-cell sensitizers: A computational study

“…In the manner, the investigated sensitizers include (MCPDCP). Up to now, the electronic spectroscopy of MCP2, DCP2, DCPP and MCPP have been reported [6,[9][10][11][12][13], but the information about their crystal structures is not available.…”

“…In Tables 2 and S7, the transition energies (eV/nm) and oscillator strengths (f) of selected absorptions were listed, together with experimental absorption spectra [9][10][11][12][13]. We have simulated the absorption spectra of P2, MCPP and DCP2 in Figure 2, and all the sensitizers in Figure S2 using the Gaussian function.…”

“…Therefore, increasing carboxyl number in sensitizers leads to more electrons pumped into p ⁄ (phen) and also more possibilities to anchor semiconductor oxides. According to above discussion, it is not difficult to understand why the DCP2 photosensitizer has been widely studied in the DSSC experiment [6,[9][10][11][12][13].…”

“…A strategy that has been adopted resides in the variation of polypyridyl ligands [6][7][8]. The phenanthroline, for instance, is a bidentate ligand same to bipyridine but displays more conjugated effect, which has been applied to synthesize ruthenium sensitizer, cis-[Ru(L) 2 (NCS) 2 ] (L = 4,7-dicarboxy-1,10-phenanthroline) [6,[9][10][11][12][13]. In the Letter, we explored a series of ruthenium phenanthroline complexes using the density functional theory (DFT).…”

Modeling evaporation, ion-beam assist, and magnetron sputtering of TiO2 thin films over realistic timescales

“…1 Porous TiO 2 is used in dyesensitized solar cells. 2 The porous TiO 2 is immersed in a ruthenium-polypyridine dye, 3 where a thin film of the dye bonds to the TiO 2 , which acts as an anode.…”