Promising sensitizers for dye sensitized solar cells: A comparison of Ru(II) with other earth's scarce and abundant metal polypyridine complexes

Sen, Anik; Groß, Axel

doi:10.1002/qua.25963

Cited by 23 publications

(31 citation statements)

References 96 publications

(164 reference statements)

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“…Other articles concerning the push-pull strategy in designing metal-free DSSC dyes include, but are not limited to, Refs. [116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134].…”

Section: Organic Dye-sensitized Solar Cellsmentioning

confidence: 99%

Computational Studies of Ruthenium and Iridium Complexes for Energy Sciences and Progress on Greener Alternatives

Magero¹,

Mestiri²,

Alimi³

et al. 2020

Preprint

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The energy sciences attempt to meet the increasing world-wide need for energy, as well as sustainability goals, by cleaner sources of energy, by new alternative sources of energy, and by more efficient uses of available energy. These goals are entirely consistent with the principles of green chemistry. This chapter concerns devices for creating electricity from light and for creating light from electricity. The major focus is on the photoproperties of ruthenium and iridium complexes, which have been proven to be a rich source of inspiration for conceiving photoactivated devices, including organic Figure 1: Relative abundance of different metals in the Earth's continental crust in units of atoms of the element per 10 6 atoms of silicon. Figure adapted from Ref. [1].photovoltaic (OPV) cells and organic light emitting diodes (OLEDs). The chapter reviews important already-in-use and potential applications of ruthenium and iridium complex-based photodevices, including the underlying mechanism behind their functioning and its investigation through computational chemistry approaches. It highlights the role of the information obtained from computational studies for the design of more efficient photodevices. The final part complements the discourse with a review of the progress on greener alternatives for OPVs and OLEDs.

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Section: Organic Dye-sensitized Solar Cellsmentioning

confidence: 99%

Computational Studies of Ruthenium and Iridium Complexes for Energy Sciences and Progress on Greener Alternatives

Magero¹,

Mestiri²,

Alimi³

et al. 2020

Preprint

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“…a hydrogen evolution catalyst, instead to a redox agent, such as I − 3 /I − . 11,13,16,18 Furthermore, apart from just addressing the properties of the DSSCs, hole conducting organic polymers have been put forward as viable alternatives to NiO or other metal oxide materials, as the tuning of the physicochemical properties of polymers is easier 19 than those of NiO.…”

Section: Introductionmentioning

confidence: 99%

Coupling of photoactive transition metal complexes to a functional polymer matrix

Putra

Seidenath

Kupfer

et al. 2021

Preprint

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Conductive polymers represent a promising alternative to semiconducting oxide electrodes typically used in dye-sensitized cathodes as they more easily allow a tuning of the physicochemical properties. This can then also be very beneficial for using them in light-driven catalysis. In this computational study, we address the coupling of Ru-based photosensitizers to a polymer matrix by combining two different first-principles electronic structure approaches. We use a periodic density functional theory code to properly account for the delocalized nature of the electronic states in the polymer. These ground state investigations are complemented by time-dependent density functional theory simulations to assess the Franck-Condon photophysics of the present photoactive hybrid material based on a molecular model system. Our results are consistent with recent experimental observations and allow to elucidate the light-driven redox chemical processes -eventually leading to charge separation -in the present functional hybrid systems with potential application as photocathode materials.

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“…The influences of the chemical structure of the sensitizers on the photovoltaic properties were investigated. [ 16–19 ] For example, polypyridyl dyes based on Cr 2+ and V 3+ show better performance in comparison with ruthenium‐ and other scarce metal‐based polypyridyl dyes due to the moderate LHE and high efficiencies of electron and hole injection, which make them promising alternatives to scarce Ru 2+ metal ion. [ 17 ]…”

Section: Introductionmentioning

confidence: 99%

“…[16][17][18][19] For example, polypyridyl dyes based on Cr 2+ and V 3+ show better performance in comparison with ruthenium-and other scarce metal-based polypyridyl dyes due to the moderate LHE and high efficiencies of electron and hole injection, which make them promising alternatives to scarce Ru 2+ metal ion. [17] In addition, theoretical insights into the effect of polycyclic aromatic hydrocarbons (PAHs) on monascus pigments (MPs) and as a photosensitizer for solar cells showed that the presence of the PAHs reduces the electronic band gap and the electron injection efficiency of MPS. [18] The absorption peaks of the MPs-fluorene, MPs-naphthalene, and MPs-anthracene also appear in the visible region.…”

mentioning

confidence: 99%

Insight into incident photon to current conversion efficiency in chlorophylls

Sabagh

Izadyar

Arkan

2020

Int J of Quantum Chemistry

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Photovoltaic properties of the natural dyes of chlorophylls consist ofChl a,Chl b,Chl c2,Chl d,Phe a,Phe y, andMg‐Phe aand have been studied in the gas phases and water. The extension of the π‐conjugated system, the substitution of the central Mg2+, and proper functional groups in the chlorophyll structures can amplify the charge transfer and photovoltaic performance.Chl ashows more favorable dynamics of charge transfer than the other studied chlorophylls.Chl d,Phe a,Phe y, andMg‐Phe ahave a greater rate of exciton dissociation in comparison withChl a,Chl b, andChl c2originating from a lower electronic chemical hardness, a lower exciton binding energy, and a bigger electron‐hole radius. As a result, better efficiencies of light harvesting and energy conversion of the chlorophylls mainly appear in the Soret band. The light‐harvesting efficiency values of the chlorophylls in water show that solvent favorably affects the ability of light harvesting of the photosensitizers. Finally, based on the energy conversion efficiency,Chl a,Phe a, andMg‐Phe aare proposed as the best candidates for use in the dye‐sensitized solar cells.

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Promising sensitizers for dye sensitized solar cells: A comparison of Ru(II) with other earth's scarce and abundant metal polypyridine complexes

Cited by 23 publications

References 96 publications

Computational Studies of Ruthenium and Iridium Complexes for Energy Sciences and Progress on Greener Alternatives

Computational Studies of Ruthenium and Iridium Complexes for Energy Sciences and Progress on Greener Alternatives

Coupling of photoactive transition metal complexes to a functional polymer matrix

Insight into incident photon to current conversion efficiency in chlorophylls

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