Factors influencing the photoelectrochemical device performance sensitized by ruthenium polypyridyl dyes

Abstract

The subtle variation in the alkyl substituents of the ruthenium photosensitizers controls the photo-electrochemical performance of the dye-only DSPECs (do-DSPECs) and those with sacrificial agent (sa-DSPECs).

Modeling ligand electrochemical parameters by repulsion‐corrected eigenvalues

“…Since their inception, Lever parameters, have occupied a major role in inorganic chemistry when predicting molecular redox potentials. These parameters have been employed in studies relating to homogenous catalysis, 2,3 water oxidation, 4 MLCT 5 and LLCT 6 excited states, solar cells, 7–9 and enzyme bioreactivity 10–15 . These are but a few of the cases where E L parameters have been utilized in leading scientific fields 16‐27 .…”

Density Functional Study of Metal-to-Ligand Charge Transfer and Hole-Hopping in Ruthenium(II) Complexes with Alkyl-Substituted Bipyridine Ligands

“…Previously observed features of P1−P4 dyes were noteworthy. 3 (i) In the dye-only system (do-DSPEC), the magnitude of photocurrent and hydrogen production was in the order P4 > P3 > P2 > P1, where that for P4 was approximately twice that of P1−P3 (Figure S1a). (ii) In the case where the electrolyte solution was loaded with ethylenediaminetetraacetic acid (EDTA) as a sacrificial agent (sa-DSPEC), the hydrogen production performance of P4 was now the lowest and P2 was the highest, in the following order P2 > P1 > P3 > P4 (Figure S1b).…”

“…1−3 Additionally, they are capable of driving water oxidation in properly designed complexes 4−7 and it is also possible without a water oxidation catalyst. 2,3,8,9 New structures of ruthenium dyes have been investigated in dyesensitized solar cells (DSSCs). 10,11 In DSSCs, the excited-state potential of the dye is designed to be appropriate for electron injection.…”

“…Ruthenium or organic photosensitizers are promising compounds for dye-sensitized photo-electrochemical cell (DSPECs) because they absorb light in the visible spectrum and have sufficient excited-state potentials to inject electrons into the conduction band of TiO 2 . − Additionally, they are capable of driving water oxidation in properly designed complexes − and it is also possible without a water oxidation catalyst. ,,, New structures of ruthenium dyes have been investigated in dye-sensitized solar cells (DSSCs). , In DSSCs, the excited-state potential of the dye is designed to be appropriate for electron injection. The presence of electron-donating substituents in the bipyridine (bipy) ancillary ligand generally shifts the excited-state potential to more negative values, resulting in faster electron injection .…”

“…The presence of electron-donating substituents in the bipyridine (bipy) ancillary ligand generally shifts the excited-state potential to more negative values, resulting in faster electron injection . Our recent experimental study of DSPECs investigated four ruthenium polypyridyl dyes (P1, P2, P3, and P4). P2, P3, and P4 contain electron-donating substituents (methyl, t -butyl, and n -nonyl groups, respectively) in the bipy ancillary ligand, while P1 has no substituents.…”