Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Preparation of hydrogen, fluorine and chlorine doped and co-doped titanium dioxide photocatalysts: a theoretical and experimental approach
Δημιουργός/Συγγραφέας:	Filippatos, Petros-Panagis Soultati, Anastasia Kelaidis, Nikolaos Petaroudis, Christos Alivisatou, Anastasia-Antonia Drivas, Charalampos Kennou, Stella Agapaki, Eleni Charalampidis, Georgios Yusoff, Abd Rashid Bin Mohd [EL] Λαθιωτάκης, Νεκτάριος N.[EN] Lathiotakis, Nektarios N. Coutsolelos, Athanassios G. Davazoglou, Dimitris Vasilopoulou, Maria Chroneos, Alexander
Εκδότης:	Nature Publishing Group UK
Ημερομηνία:	2021-03-11
Γλώσσα:	Αγγλικά
ISSN:	2045-2322
DOI:	10.1038/s41598-021-81979-x
Άλλο:	5700 (2021)
Περίληψη:	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.
Τίτλος πηγής δημοσίευσης:	Scientific reports
Τόμος/Κεφάλαιο:	11
Τεύχος:	1
Θεματική Κατηγορία:	[EL] Φυσική και θεωρητική χημεία[EN] Physical and theoretical chemistry [EL] Φυσική[EN] Physics
Λέξεις-Κλειδιά:	Titanium dioxide (TiO2)
Κάτοχος πνευματικών δικαιωμάτων:	© The Author(s) 2021
Ηλεκτρονική διεύθυνση στον εκδότη (link):	https://www.nature.com/articles/s41598-021-81979-x#citeas
Εμφανίζεται στις συλλογές:	Ινστιτούτο Θεωρητικής και Φυσικής Χημείας (ΙΘΦΧ) - Επιστημονικό έργο