Journal
SCIENTIFIC REPORTS
Volume 11, Issue 1, Pages -Publisher
NATURE RESEARCH
DOI: 10.1038/s41598-021-81979-x
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Funding
- Lloyd's Register Foundation
- project nanoporous GrAphene membrane made without TransfEr for gas Separation-GATES - Operational Program Competitiveness, Entrepreneurship and Innovation (NSRF 2014-2020) [MIS 5041612]
- project Advanced Materials and Devices - Operational Program Competitiveness, Entrepreneurship and Innovation (NSRF 2014-2020) [MIS 5002409]
- project National Infrastructure in Nanotechnology, Advanced Materials and Micro-Nanoelectronics - Operational Program Competitiveness, Entrepreneurship and Innovation (NSRF 2014-2020) [MIS 5002772]
- European Union (European Regional Development Fund)
- European Union's H2020 Programme [824072-HARVESTORE]
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By co-doping with hydrogen and halogen, the optical properties of TiO2 can be improved, with chlorine doping significantly reducing the band gap of the oxide. This makes the material promising for energy harvesting devices.
Titanium dioxide (TiO2) has a strong photocatalytic activity in the ultra-violet part of the spectrum combined with excellent chemical stability and abundance. However, its photocatalytic efficiency is prohibited by limited absorption within the visible range derived from its wide band gap value and the presence of charge trapping states located at the band edges, which act as electron-hole recombination centers. Herein, we modify the band gap and improve the optical properties of TiO2 via co-doping with hydrogen and halogen. The present density functional theory (DFT) calculations indicate that hydrogen is incorporated in interstitial sites while fluorine and chlorine can be inserted both as interstitial and oxygen substitutional defects. To investigate the synergy of dopants in TiO(2 )experimental characterization techniques such as Fourier transform infrared (FTIR), X-ray diffraction (XRD), X-ray and ultra-violet photoelectron spectroscopy (XPS/UPS), UV-Vis absorption and scanning electron microscopy (SEM) measurements, have been conducted. The observations suggest that the oxide's band gap is reduced upon halogen doping, particularly for chlorine, making this material promising for energy harvesting devices. The studies on hydrogen production ability of these materials support the enhanced hydrogen production rates for chlorine doped (Cl:TiO2) and hydrogenated (H:TiO2) oxides compared to the pristine TiO2 reference.
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