Substitutionally and interstitially Cu/Nco-doped anatase TiO2(101) surface is investigated by using density functional theory (DFT) calculations. The results suggest improved visible light photocatalytic activity over undoped anatase TiO2. Sizable lattice relaxation around the dopants is observed, followed by a formation of N-O bond. Depending on the local arrangement of atoms, localized states above the valence band maximum, deep into the band gap, and below the conduction band minimum are found. In addition, our calculation also predict band gap narrowing. The hybridization of the Cu 3d and N 2p states within the band gap and the other electronic and optical properties suggest a synergistic effect of the dopants in the enhancement of the ...
Photocatalytic water splitting using titanium dioxide (TiO2) nanotube is a clean and sustainable met...
In this study photocatalytic activity of TiO2 doped with C(IV) has been investigated using DFT (Dens...
Anatase TiO2 provides photoactivity with high chemical stability at a reasonable cost. Different met...
Substitutionally and interstitially Cu/Nco-doped anatase TiO2(101) surface is investigated by using ...
© 2016 Elsevier B.V. Copper dopants are varyingly reported to enhance photocatalytic activity at tit...
The structural parameters, band structures and density of states of anatase TiO2 co-doped with Cu an...
Exploring new types of photocatalysts and modifying the photocatalytic activity have attracted more ...
Copper-modified titania is a system of interest for its potential for photocatalytic applications in...
By means of first-principles density functional theory (DFT) calculations, we study the effect of in...
In this paper we investigated the effects of Fe-doping of the anatase TiO2 (1 0 1) surface on the cr...
By means of first-principles density functional theory (DFT) calculations, we study the effect of in...
This paper shows that incorporation of Cu inhibits the anatase to rutile phase transition at tempera...
Adsorbed metal atoms and metal doping onto TiO2 can effectively enhance the optical and photocatalyt...
Anatase TiO2 presents a large bandgap of 3.2 eV, which inhibits the use of visible light radiation (...
Substitutional N to O and M to Ti (M = Pt, V, Sb) codoped rutile TiO2 was investigated using density...
Photocatalytic water splitting using titanium dioxide (TiO2) nanotube is a clean and sustainable met...
In this study photocatalytic activity of TiO2 doped with C(IV) has been investigated using DFT (Dens...
Anatase TiO2 provides photoactivity with high chemical stability at a reasonable cost. Different met...
Substitutionally and interstitially Cu/Nco-doped anatase TiO2(101) surface is investigated by using ...
© 2016 Elsevier B.V. Copper dopants are varyingly reported to enhance photocatalytic activity at tit...
The structural parameters, band structures and density of states of anatase TiO2 co-doped with Cu an...
Exploring new types of photocatalysts and modifying the photocatalytic activity have attracted more ...
Copper-modified titania is a system of interest for its potential for photocatalytic applications in...
By means of first-principles density functional theory (DFT) calculations, we study the effect of in...
In this paper we investigated the effects of Fe-doping of the anatase TiO2 (1 0 1) surface on the cr...
By means of first-principles density functional theory (DFT) calculations, we study the effect of in...
This paper shows that incorporation of Cu inhibits the anatase to rutile phase transition at tempera...
Adsorbed metal atoms and metal doping onto TiO2 can effectively enhance the optical and photocatalyt...
Anatase TiO2 presents a large bandgap of 3.2 eV, which inhibits the use of visible light radiation (...
Substitutional N to O and M to Ti (M = Pt, V, Sb) codoped rutile TiO2 was investigated using density...
Photocatalytic water splitting using titanium dioxide (TiO2) nanotube is a clean and sustainable met...
In this study photocatalytic activity of TiO2 doped with C(IV) has been investigated using DFT (Dens...
Anatase TiO2 provides photoactivity with high chemical stability at a reasonable cost. Different met...