Analysis of electronic structures of 3d transition metal-doped TiO 2 based on band calculations

Sol-Gel Synthesis and Characterization of Mesoporous TiO2 Modified with Transition Metal Ions (Co, Ni, Mn, Cu)

“…When transition metal ions incorporated into the lattice, the dopant level appeared between the valence band and the conduction band of TiO 2 , thus altering the band-gap energy and shifting the absorbance edge to the visible light region [15]. Additional energy levels appear in the band gap of TiO 2 and the E g value decreases induced by transition metal ions [14,16,17]. Such energy changes in a number of cases (at low concentrations of dopants) can increase the photocatalyst sensitivity in the visible region of the spectrum [14].…”

“…Photocurrent quantum yield for all of 1 % М/ТіО 2 films is higher than that for undoped ТіО 2 . The enhancement of photocurrent efficiency indicates that M n+ ions addition is beneficial to promote charge separation within nanostructured TiO 2 film and to improve interfacial charge transfer process due to formation of impurity electron levels of 3d-metals in the band gap of titanium dioxide [16,17,24], acting as traps of charge which retard the recombination process.…”

Investigation of DC magnetron-sputtered TiO2 coatings: Effect of coating thickness, structure, and morphology on photocatalytic activity

“…It has been reported that the 004 face of TiO 2 , due to constrained alignment of the surface atoms [10], is more active than the 101 face [11] , [12] , [10]. A number of investigations have demonstrated that larger surface area increases the photocatalytic activity, and the photocatalytic activity was improved by addition of various dopants such as Cr, Mo, V, Mn, Fe, Co and Ni [13] , [14].…”

Electronic and optical properties of Mn–S co-doped anatase TiO2 from first-principles calculations

“…3. Because a lot of theoretical calculations of Mn/TiO 2 [26][27][28] and S/TiO 2 [19,29,30] have been reported, we will not concentrate on the detailed research on them. But for contrast, we also calculated the energy band of Mn/TiO 2 and S/TiO 2 .…”