Enhanced photoelectric and photocatalysis performances of quinacridone derivatives by forming D-π-A-A structure

Zhao, Dongpeng; Saputra, Reza Medi; Song, Peng; Yang, Yanhui; Ma, F.C.; Li, Yuanzuo

doi:10.1016/j.solener.2020.03.053

Cited by 46 publications

(13 citation statements)

References 92 publications

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“…To better analyze the ESIPT and ICT process of Naph1 and Naph1-S. The IFCT method − is used to investigate the amount of fragment charge transfer during excitation (Table ). Both Naph1 and Naph1-S are divided into four fragments, dimethylamine (D), naphthalene (N), hydroxyl (H) amino (A), or Schiff base (S).…”

Section: Results and Discussionmentioning

confidence: 99%

Investigating the Influence of Electronic Effects of Functional Groups on the Fluorescence Mechanism of Probes in Water Samples

Zhan

Wang

et al. 2021

J. Phys. Chem. A

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This study investigates the fluorescence quenching mechanism of formaldehyde detection probe Naph1 and its contrast probe Naph3 in water samples and discussed the effect of the electron-donating group and electron-withdrawing group on fluorescence characteristics based on density functional theory (DFT) and time-dependent density functional theory (TD-DFT). We optimized the structures of the four probes Naph1, Naph1-S, Naph3, and Naph3-S (Scheme 1) and calculated the absorption and emission spectra, which were in good agreement with the experiment. Frontier molecular orbitals (FMOs) were used to analyze the charge arrangement in the excited state. To investigate the intramolecular proton transfer (ESIPT) phenomenon, a potential energy curve was constructed. The amount of fragment charge transfer was analyzed by the IFCT method, and then it was determined whether there was an intramolecular charge transfer (ICT) process. It was found that there was an ICT process in Naph3. The electronic effect of the functional groups did not determine the ICT characteristics and the fluorescence characteristics of the substance. Furthermore, the spin–orbit coupling  (SOC) constant based on the intersystem crossing (ISC) was supplemented, which showed that the fluorescence quenching of Naph1 and Naph3 was caused by the ISC and the corresponding quenching of Naph3-S was caused by charge transfer (CT) in the excited state.

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Section: Results and Discussionmentioning

confidence: 99%

Investigating the Influence of Electronic Effects of Functional Groups on the Fluorescence Mechanism of Probes in Water Samples

Zhan

Wang

et al. 2021

J. Phys. Chem. A

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“…Nowadays, computational methods constitute a powerful tool enabling prediction of various properties of compounds, even prior to their time-and work-consuming synthesis. In particular, the DFT method has proved to be very useful in the modeling of electronic structures of many DSSC sensitizers, providing an initial guess about molecular geometries, distribution and energy levels of frontier orbitals, dipole moments, and absorption spectra [23][24][25]. Therefore, we started our studies with the prediction of the examined compounds' electronic structures.…”

Section: Theoretical Considerationsmentioning

confidence: 99%

2-Thiohydantoin Moiety as a Novel Acceptor/Anchoring Group of Photosensitizers for Dye-Sensitized Solar Cells

et al. 2020

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Very recently, we have reported the synthesis and evaluation of biological properties of new merocyanine dyes composed of triphenylamine moiety, π-aromatic spacer, and rhodanine/2-thiohydantoin-based moiety. Interestingly, 2-thiohydantoin has never been studied before as an electron-accepting/anchoring group for the dye-sensitized solar cells (DSSCs). In the presented study, we examined the applicability of 2-thiohydantoin, an analog of rhodanine, in DSSC technology. The research included theoretical calculations, electrochemical measurements, optical characterization, and tests of the solar cells. As a result, we proved that 2-thiohydantoin might be considered as an acceptor/anchoring group since all the compounds examined in this study were active. The most efficient device showed power conversion efficiency of 2.59%, which is a promising value for molecules of such a simple structure. It was found that the cells’ performances were mainly attributed to the dye loading and the ICT molecular absorption coefficients, both affected by the differences in the chemical structure of the dyes. Moreover, the effect of the aromatic spacer size and the introduction of carboxymethyl co-anchoring group on photovoltaic properties was observed and discussed.

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“…Establishment of eco‐friendly and sustainable 4 future energy resource is compulsory to fulfill the global energy crisis. Similar studies have investigated that photocatalytic technologies have been considered as another promising pathway to mitigate global energy demands 5 . Various elements such as Manganese (Mn), Titanium (Ti) and Zinc (Zn) have been utilized in the photocatalytic process.…”

Section: Introductionmentioning

confidence: 99%

“…Photoactivity of titanium dioxide was invented for the very first time as white pigments in 1929 8 . Photoactivity of TiO 2 was first reported in 1932 to 1934 9 and photocatalytic activity was in 1938 as photo‐bleaching of dyes, 5 which was known as photosensitizer at that time. The usage of TiO 2 as photocatalyst was first discovered in 1956 10 .…”

Section: Introductionmentioning

confidence: 99%

“…Similar studies have investigated that photocatalytic technologies have been considered as another promising pathway to mitigate global energy demands. 5 Various elements such as Manganese (Mn), Titanium (Ti) and Zinc (Zn) have been utilized in the photocatalytic process. As compared to others, Ti is one of the most familiar elements which is being utilized in many significant applications of photocatalysis.…”

Section: Introductionmentioning

confidence: 99%

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Titanium dioxide nanostructures as efficient photocatalyst: Progress, challenges and perspective

2020

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Summary In the growing energy consumption, the photocatalysis seems to be very helpful due to promising environmental applications. Several semiconducting nanostructures are reported as photocatalysts but still, the researchers are finding a way towards higher efficiency. The TiO2 nanostructures with different sizes, morphologies, synthesis methods and dopants have been reviewed to study their effect on photocatalysis. The TiO2 photocatalysts are presented to be widely used in energy and eco‐friendly applications including water purification, hydrogen production, phenol degradation, Cr(VI) and CO2 reduction. The photostability, accessibility and environmental harmlessness have been presented as a break through towards the global energy crisis due to potential application in photocatalytic hydrogen evolution. Besides variety of useful applications, the efficiency is limited due to wide bandgap, fast charge recombination, and many other factors. The progress of TiO2 photocatalyst along with the limitations underway and their possible solutions have been presented from reported literature. It is predicted that an approach towards highly efficient photocatalyst could be achieved in the form of nanostructured TiO2.

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Enhanced photoelectric and photocatalysis performances of quinacridone derivatives by forming D-π-A-A structure

Cited by 46 publications

References 92 publications

Investigating the Influence of Electronic Effects of Functional Groups on the Fluorescence Mechanism of Probes in Water Samples

Investigating the Influence of Electronic Effects of Functional Groups on the Fluorescence Mechanism of Probes in Water Samples

2-Thiohydantoin Moiety as a Novel Acceptor/Anchoring Group of Photosensitizers for Dye-Sensitized Solar Cells

Titanium dioxide nanostructures as efficient photocatalyst: Progress, challenges and perspective

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