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Preparation of hydrogen, fluorine and chlorine doped and co-doped titanium dioxide photocatalysts: a theoretical and experimental approach

Petros-Panagis Filippatos, Anastasia Soultati, Nikolaos Kelaidis, Christos Petaroudis, Anastasia-Antonia Alivisatou, Charalampos Drivas, Stella Kennou, Eleni Agapaki, Georgios Charalampidis, RASHID MOHD YUSOFF, Nektarios N. Lathiotakis, Athanassios G. Coutsolelos, Dimitris Davazoglou, Maria Vasilopoulou, Alexander Chroneos

Scientific Reports, Volume: 11, Issue: 1

Swansea University Author: RASHID MOHD YUSOFF

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DOI (Published version): 10.1038/s41598-021-81979-x

Abstract

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...

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Published in: Scientific Reports
ISSN: 2045-2322
Published: Springer Science and Business Media LLC 2021
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URI: https://cronfa.swan.ac.uk/Record/cronfa60387
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Abstract: 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 TiO2 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.
College: Faculty of Science and Engineering
Funders: P.P.F., M.V., D.D. and A.C. are grateful for LRF ICON funding from the Lloyd’s Register Foundation, a charitable foundation helping to protect life and property by supporting engineering-related education, public engagement and the application of research. The authors N.K. and N.N.L. acknowledge support by the projects (i) “nanoporous GrAphene membrane made without TransfEr for gas Separation—GATES” (MIS 5041612), (ii) “Advanced Materials and Devices” (MIS 5002409) and (iii) “National Infrastructure in Nanotechnology, Advanced Materials and Micro-Nanoelectronics” (MIS 5002772), funded by the Operational Program “Competitiveness, Entrepreneurship and Innovation” (NSRF 2014-2020), co-financed by Greece and the European Union (European Regional Development Fund). A.C. acknowledges support from European Union’s H2020 Programme under Grant Agreement no 824072- HARVESTORE.
Issue: 1

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