Pregled bibliografske jedinice broj: 646455
Photocatalytic properties of doped TiO$_2$
Photocatalytic properties of doped TiO$_2$ // 18th ETSF Workshop on Electronic Excitations / L. Wirtz, M. Gruening, C. Attaccalite, M. Verstraete, N. Helbig, Z. Zanolli (ur.).
Luxembourg: ETSF, Louvain-la-Neuve, Belgium, 2013. str. 33-33 (poster, nije recenziran, sažetak, znanstveni)
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Naslov
Photocatalytic properties of doped TiO$_2$
Autori
Lukačević, Igor ; Gupta, S. K.
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni
Izvornik
18th ETSF Workshop on Electronic Excitations
/ L. Wirtz, M. Gruening, C. Attaccalite, M. Verstraete, N. Helbig, Z. Zanolli - Luxembourg : ETSF, Louvain-la-Neuve, Belgium, 2013, 33-33
Skup
18th ETSF Workshop on Electronic Excitations: Applications to functional and energz materials
Mjesto i datum
Luksemburg, 01.10.2013. - 04.10.2013
Vrsta sudjelovanja
Poster
Vrsta recenzije
Nije recenziran
Ključne riječi
Titanium dioxide ; Photocatalyses ; Raman spectra ; Phonon ; Density functional theory
Sažetak
First principles calculations were performed on the electronic, vibrational and Raman spectra of sub-stitutional N-, B- and Pt-doped rutile titanium dioxide (TiO$_2$), within the density functional theory (DFT), using the plane-wave pseudopotential method. From the calculated electronic band structure and density of states we concluded that the doping induces significant changes in the band structure of TiO$_2$, highlighting B- and Pt-doped TiO$_2$ as the best candidates for photocatalytic materials for visible light absorption. On the other hand, N-doped TiO$_2$ appears to be active only for the photoreduction processes, although N doping introduces midstates into the band gap.
Izvorni jezik
Engleski
Znanstvena područja
Fizika
