Photocatalysis. A multi-faceted concept for green chemistry

Ravelli, Davide; Dondi, Daniele; Fagnoni, Maurizio; Albini, Angelo

doi:10.1039/b714786b

Cited by 941 publications

(433 citation statements)

References 66 publications

(83 reference statements)

Supporting

Mentioning

424

Contrasting

Unclassified

Order By: Relevance

“…On the other hand, BP plays an increasingly important role as an excitation antenna collecting the light and thereby initiating substrate conversion in photochemical reactions. 10,11 Molecular BP architectures can be considered as chemical photocatalysts if they bear a substrate binding site, and substrate conversion occurs initiated by energy or electron transfer. 12 In fact, both processes have been applied successfully for the development of BP-and xanthone-based photoorganocatalysts.…”

Section: Introductionmentioning

confidence: 99%

Conformational control of benzophenone-sensitized charge transfer in dinucleotides

Merz

Wenninger

Weinberger

et al. 2013

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

Charge transfer in DNA cannot be understood without addressing the complex conformational flexibility, which occurs on a wide range of timescales. In order to reduce this complexity four dinucleotide models 1X consisting of benzophenone linked by a phosphodiester to one of the natural nucleosides X = A, G, T, C were studied in water and methanol. The theoretical work focuses on the dynamics and electronic structure of 1G. Predominant conformations in the two solvents were obtained by molecular dynamics simulations. 1G in MeOH adopts mainly an open geometry with a distance of 12-16 Å between the two aromatic parts. In H 2 O the two parts of 1G form primarily a stacked conformation yielding a distance of 5-6 Å. The low-lying excited states were investigated by electronic structure theory in a QM/MM environment for representative snapshots of the trajectories. Photo-induced intramolecular charge transfer in the S 1 state occurs exclusively in the stacked conformation. Ultrafast transient absorption spectroscopy with 1X reveals fast charge transfer from S 1 in both solvents with varying yields. Significant charge transfer from the T 1 state is only found for the nucleobases with the lowest oxidation potential: in H 2 O, charge transfer occurs with 3.2 Â 10 9 s À1 for 1A and 6.0 Â 10 9 s À1 for 1G. The reorganization energy remains nearly unchanged going from MeOH to the more polar H 2 O. The electronic coupling is rather low even for the stacked conformation with H AB = 3 meV and explains the moderate charge transfer rates. The solvent controls the conformational distribution and therefore gates the charge transfer due to differences in distance and stacking.

show abstract

Section: Introductionmentioning

confidence: 99%

Conformational control of benzophenone-sensitized charge transfer in dinucleotides

Merz

Wenninger

Weinberger

et al. 2013

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

show abstract

“…silicon, III-V compounds, chalcogenides like those used in thin film photovoltaics or transparent conducting or high-k insulating oxides, they have progressed to a lower extent in the case of photocatalysts in spite of the importance of such alignment, recognized especially in the last years, for maximizing the efficient separation of photogenerated carriers which is needed to achieve a high yield of the chemical reaction of interest, be it the destruction of pollutants or the production of solar fuels 12,13 . This is probably connected with the fact that these systems are less frequently studied in the single crystal or compact thin layer form which is better adapted to advanced spectroscopic measurements.…”

Section: Introductionmentioning

confidence: 99%

Modeling with Hybrid Density Functional Theory the Electronic Band Alignment at the Zinc Oxide–Anatase Interface

Conesa

2012

J. Phys. Chem. C

View full text Add to dashboard Cite

The band alignment at semiconductor interfaces can be theoretically computed using periodic slab models together with hybrid functional DFT methods in which HF exchange mixing coefficients are properly chosen (as justified by their relationship with the dielectric constant) and the calculated electrostatic potential inside each slab is used as reference for the band edge energies. This principle is applied here to the interface between wurtzite-type ZnO and anatase-type TiO 2 , two oxides with nearly identical band gap widths. According to the results, in a composite of both materials the conduction and valence bands of ZnO will lie ca. 0.3 eV lower in energy than those of anatase, influencing the way in which photogenerated electrons and holes will be routed in photocatalytic or photovoltaic systems which include interfaces between these two oxides. The performance improvement observed in dye-sensitized solar cells based on a nanostructured ZnO electrode when the surface of the latter is covered by a thin TiO 2 layer is thus justified. The system may serve as example for the estimation of the band alignment in other semiconductor junctions of interest in different kinds of devices.

show abstract

“…S ince the discovery of water photolysis on a TiO 2 photoanode in the 1970s 1 , semiconductor photocatalysis has attracted significant attention due to its promising applications in environment remediation and solar energy conversion in the past decades [2][3][4][5] . TiO 2 is the initial semiconductor photocatalyst investigated and it is still regarded as a benchmark photocatalyst under ultravoilet irradiation due to its intrinsic high activity.…”

mentioning

confidence: 99%

Sub-10 nm rutile titanium dioxide nanoparticles for efficient visible-light-driven photocatalytic hydrogen production

et al. 2015

View full text Add to dashboard Cite

Photocatalysis. A multi-faceted concept for green chemistry

Cited by 941 publications

References 66 publications

Conformational control of benzophenone-sensitized charge transfer in dinucleotides

Conformational control of benzophenone-sensitized charge transfer in dinucleotides

Modeling with Hybrid Density Functional Theory the Electronic Band Alignment at the Zinc Oxide–Anatase Interface

Sub-10 nm rutile titanium dioxide nanoparticles for efficient visible-light-driven photocatalytic hydrogen production

Contact Info

Product

Resources

About