Theoretical (DFT and TDDFT) insights into the effect of polycyclic aromatic hydrocarbons on Monascus pigments and its implication as a photosensitizer for dye-sensitized solar cells

Khudhair, Alaa M.; Ajeel, Fouad N.; Mohammed, Mohammed H.

doi:10.1016/j.mee.2019.04.003

Cited by 19 publications

(8 citation statements)

References 34 publications

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“…[18] Also, theoretical insights into the effect of polycyclic aromatic hydrocarbons (PAHs) on monascus pigments (MPs) and as a photosensitizer for solar cells showed that the presentence of the PAHs reduces the electronic band gap and the electron injection efficiency of MPS. [19] Also, the absorption peaks of the MPs-fluorene, MPs-naphthalene, and MPs-anthracene appear in the visible region. The results confirm that these dyes can be used as a photosensitizer in the solar cells.…”

Section: Introductionmentioning

confidence: 98%

“…[17] The influences of the chemical structure of the sensitizers on the photovoltaic properties were investigated. [17][18][19][20] 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 , high efficiencies of electron and hole injection, which make them promising alternatives to scarce Ru 2+ metal ion. [18] Also, theoretical insights into the effect of polycyclic aromatic hydrocarbons (PAHs) on monascus pigments (MPs) and as a photosensitizer for solar cells showed that the presentence of the PAHs reduces the electronic band gap and the electron injection efficiency of MPS.…”

Section: Introductionmentioning

confidence: 99%

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Insight into incident photon to current conversion efficiency in chlorophylls

Sabagh

Izadyar

Arkan

2020

Preprint

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Photovoltaic properties of the natural dyes of chlorophylls consist of Chl a, Chl b, Chl c2, Chl d, Phe a, Phe y and Mg-Phe a, were studied in the gas phases. 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 a shows more favorable dynamics of charge transfer than other studied chlorophylls. Chl d, Phe a, Phe y and Mg-Phe a, have a greater rate of the exciton dissociation in comparison with Chl a, Chl b, and Chl c2 originated from a lower electronic chemical hardness, a lower exciton binding energy, and a bigger electron-hole radius. As a result, better efficiencies of the light-harvesting and energy conversion of the chlorophylls mainly appear in the Soret band. Finally, based on the energy conversion efficiency, Chl a, Phe a, and Mg-Phe a, are proposed as the best candidates for using in the dye-sensitized solar cells.

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Section: Introductionmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

Insight into incident photon to current conversion efficiency in chlorophylls

Sabagh

Izadyar

Arkan

2020

Preprint

View full text Add to dashboard Cite

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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%

“…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. The results confirm that these dyes can be used as a photosensitizer in the solar cells.…”

Section: Introductionmentioning

confidence: 99%

“…[16] The influences of the chemical structure of the sensitizers on the photovoltaic properties were investigated. [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.…”

mentioning

confidence: 99%

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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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Strategies on improvement of pigment formation and reduction of citrinin in Monascus fermentation

Mou

Pan

Jiang

et al. 2022

Biofuels Bioprod Bioref

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Monasucs pigments, as natural food colorants, have worldwide popularity owing to their antibacterial ability and superior coloring characteristics, as well as various applications in food, medicine, cosmetics and several other fields. Therefore, there is a considerable demand of pigments and various approaches have been conducted to improve pigment production. However, citrinin, which causes great harm to human health, is undesirably generated during the fermentation. Thus, great efforts have been made to increase pigment production and decrease citrinin formation by culture media and condition optimization, mutation breeding or genetic engineering. For the purpose of giving insight for further research, this article makes a summary of existing study advances in Monasucs pigment production. © 2022 Society of Chemical Industry and John Wiley & Sons, Ltd.

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Theoretical (DFT and TDDFT) insights into the effect of polycyclic aromatic hydrocarbons on Monascus pigments and its implication as a photosensitizer for dye-sensitized solar cells

Cited by 19 publications

References 34 publications

Insight into incident photon to current conversion efficiency in chlorophylls

Insight into incident photon to current conversion efficiency in chlorophylls

Insight into incident photon to current conversion efficiency in chlorophylls

Strategies on improvement of pigment formation and reduction of citrinin in Monascus fermentation

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