Interfacial structure and electronic properties of TiO2/ZnO/TiO2 for photocatalytic and photovoltaic applications: A theoretical study

@article{Haffad2019InterfacialSA,
  title={Interfacial structure and electronic properties of TiO2/ZnO/TiO2 for photocatalytic and photovoltaic applications: A theoretical study},
  author={Slimane Haffad},
  journal={Surface Science},
  year={2019}
}
  • Slimane Haffad
  • Published 8 February 2017
  • Materials Science
  • Surface Science
21 Citations

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References

SHOWING 1-10 OF 62 REFERENCES

Ab initio study of electronic effects in the ZnO/TiO2 core/shell interface: application in dye sensitized solar cells

Core/shell structure of ZnO nanowires coated with a monolayer of TiO2 is investigated using Density Functional Theory (DFT). The electronic states of the semiconductor is calculated and compared

A Heterojunction Design of Single Layer Hole Tunneling ZnO Passivation Wrapping around TiO2Nanowires for Superior Photocatalytic Performance

TLDR
It is shown that a single atomic layer of ZnO shell not only increases light harvesting capability of the heterostructure via extension of the absorption toward visible wavelengths, but also mitigates recombination probability of carriers through reduction of surface defects density and introduction of proper charge separation along the core-shell interface.

Selective isolation of the electron or hole in photocatalysis: ZnO-TiO2 and TiO2-ZnO core-shell structured heterojunction nanofibers via electrospinning and atomic layer deposition.

TLDR
The results revealed that the TiO2-ZnO CSHJ shows ∼1.6 times faster PCA when compared to the ZnO-TiO2CSHJ because of efficient hole capture by oxygen vacancies, and the lower mobility of holes.

Optimization of 1D ZnO@TiO2 core-shell nanostructures for enhanced photoelectrochemical water splitting under solar light illumination.

TLDR
It was found that an air treatment induces a better charge separation and a lower carrier recombination, which in turn are responsible for an improvement in the PEC performance with respect to N2-treated core-shell materials.

Effects of TiO₂ interfacial atomic layers on device performances and exciton dynamics in ZnO nanorod polymer solar cells.

TLDR
The TiO2 coating played a key role as an efficient quencher of photogenerated excitons, thereby reducing the exciton lifetime and the electrochemical impedance spectra (EIS) provided further evidence that theTiO2 atomic interfacial layer promoted the charge transfer at the interface by suppressing recombination loss.

The nature of interfaces and charge trapping sites in photocatalytic mixed-phase TiO2 from first principles modeling.

TLDR
Rutile is found to have both higher conduction and valence band offsets than rutile, leading to an accumulation of electrons in the anatase phase accompanied by hole accumulation in the rutiles phase, and the electronic structure of the authors' heterostructure is probed.

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

The band alignment at semiconductor interfaces can be theoretically computed using periodic slab models together with hybrid functional density functional theory methods in which Hartree–Fock

Analysis of electron transfer properties of ZnO and TiO2 photoanodes for dye-sensitized solar cells.

TLDR
This work attempts to make a one-to-one comparison of the photovoltaic performance and the electron transfer dynamics involved in DSCs, with ZnO and TiO2 as photoanodes, and reveals that at an optimal thickness ZNO exhibits photovvoltaic performances similar toTiO2, but the internal electron transfer properties differ.

DFT Study on Anatase TiO2 Nanowires: Structure and Electronic Properties As Functions of Size, Surface Termination, and Morphology

We have performed first-principles calculations on anatase TiO2 nanowires (NWs) to investigate the dependence of their structural and electronic properties on the size, the surface coverage, and the
...