Search results for "Photocatalytic water splitting"
showing 5 items of 5 documents
Au/TiO2-CeO2 Catalysts for Photocatalytic Water Splitting and VOCs Oxidation Reactions
2016
Photocatalytic water splitting for H2 production and photocatalytic oxidation of 2-propanol, an example of volatile organic compounds, were investigated over TiO2 catalysts loaded with gold and/or ceria. In the water splitting reaction the presence of gold only slightly affected the performance of TiO2 whereas the presence of CeO2 had a more remarkable positive effect. In the 2-propanol oxidation Au/TiO2 was the most active sample in terms of alcohol conversion whereas Au/TiO2-CeO2 exhibited the highest CO2 yield. On the basis of characterization experiments (X-Ray Diffraction (XRD), Energy Dispersive X-ray Analysis EDX, surface area measurements, Diffuse Reflectance Spectroscopy (DRS) and …
Electronic and optical properties of pristine, N- and S-doped water-covered TiO2 nanotube surfaces
2019
For rational design and improvement of electronic and optical properties of water-splitting photocatalysts, the ability to control the band edge positions relative to the water redox potentials and the photoresponse as a function of environmental conditions is essential. We combine ab initio molecular dynamics simulations with ab initio many-body theoretical calculations to predict the bandgap and band edge energies, as well as the absorption spectrum of pristine and N- and S-doped TiO2 nanotubes using the DFT+U and G0W0 approaches. Both levels of theory show similar trends, and N+S-codoping appears to be the optimal system for photocatalytic water splitting both in dry and humid conditions…
C-, N-, S-, and Fe-Doped TiO2 and SrTiO3 Nanotubes for Visible-Light-Driven Photocatalytic Water Splitting: Prediction from First Principles
2015
The ground state electronic structure and the formation energies of both TiO2 and SrTiO3 nanotubes (NTs) containing CO, NO, SO, and FeTi substitutional impurities are studied using first-principles calculations. We observe that N and S dopants in TiO2 NTs lead to an enhancement of their visible-light-driven photocatalytic response, thereby increasing their ability to split H2O molecules. The differences between the highest occupied and lowest unoccupied impurity levels inside the band gap (HOIL and LUIL, respectively) are reduced in these defective nanotubes down to 2.4 and 2.5 eV for N and S doping, respectively. The band gap of an NO+SO codoped titania nanotube is narrowed down to 2.2 eV …
Efficient H2 production by photocatalytic water splitting under UV or solar light over variously modified TiO2-based catalysts
2019
Abstract This paper focused for the first time on the comparison between three different approach to modify the chemico-physical properties of TiO2-based photocatalysts and their effect in the H2 production by photocatalytic water splitting both under UV and solar light irradiation, under the same experimental conditions. The application of pulsed laser irradiation to aqueous TiO2 suspensions (first approach) induced structural transformations both on the bulk and on the surface of TiO2, boosting the H2 production, under UV light irradiation, of almost three times (20.9 mmol/gcat·h) compared to bare TiO2 (7.7 mmol/gcat·h). The second strategy was based on a templating method to obtain TiO2 …
2D slab models of TiO2 nanotubes for simulation of water adsorption: Validation over a diameter range
2020
Financial support provided by Scientific Research Project for Students and Young Researchers Nr. SJZ/2019/2 realized at the Institute of Solid State Physics, University of Latvia is greatly acknowledged. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under Grant Agreement No. 739508, project CAMART 2 .