Add to ORKGModification of TiO2 with metal oxide nanoclusters is a novel strategy for the design of new photocatalysts with visible light activity. This paper presents a first principles density functional theory (DFT) analysis of the effect of modifying TiO2 rutile (110) and anatase (101) and (001) surfaces with Bi2O3 nanoclusters on the band gap and the nature of the photoexcited state. We show that band gap modifications over unmodified TiO2 depend on the crystal form: modifying rutile (110) results in new Bi2O3 derived states that shift the valence band upwards. On anatase surfaces, there is little effect due to modification with Bi2O3 nanoclusters, but an enhanced UV activity would be expected. Analysis of electron and hole localisation in a mode...
Work on the design of new TiO2 based photocatalysts is described. The key concept is the formation o...
In reduced TiO2, electronic transitions originating from the Ti3+- induced states in the band gap ar...
In order to provide insight into the influence of co-doping with boron (B) and transition metals (TM...
Modification of TiO2 with metal oxide nanoclusters is a novel strategy for the design of new photoca...
The electronic properties and photocatalytic activity of S and/or Bi-doped anatase TiO2 are investig...
Titanium dioxide is an important photocatalytic material with much activity in modifying it to achie...
Titanium dioxide is an important photocatalytic material with much activity in modifying it to achie...
The electronic properties and photocatalytic activity of S and/or Bi-doped anatase TiO2 are investig...
© 2017 American Chemical Society. We use first-principles density functional theory calculations to ...
We use first-principles density functional theory calculations to analyze the effect of chromia nano...
Titanium dioxide is an important photocatalytic material with much activity in modifying it to achie...
© 2018 IEEE. We present density functional theory simulations of novel heterostructures composed of ...
Metal oxide photocatalysts are widely studied for applications in solar driven environmental remedia...
Surface modification of titania surfaces with dispersed metal oxide nanoclusters has the potential t...
Surface modification of titania surfaces with dispersed metal oxide nanoclusters has the potential t...
Work on the design of new TiO2 based photocatalysts is described. The key concept is the formation o...
In reduced TiO2, electronic transitions originating from the Ti3+- induced states in the band gap ar...
In order to provide insight into the influence of co-doping with boron (B) and transition metals (TM...
Modification of TiO2 with metal oxide nanoclusters is a novel strategy for the design of new photoca...
The electronic properties and photocatalytic activity of S and/or Bi-doped anatase TiO2 are investig...
Titanium dioxide is an important photocatalytic material with much activity in modifying it to achie...
Titanium dioxide is an important photocatalytic material with much activity in modifying it to achie...
The electronic properties and photocatalytic activity of S and/or Bi-doped anatase TiO2 are investig...
© 2017 American Chemical Society. We use first-principles density functional theory calculations to ...
We use first-principles density functional theory calculations to analyze the effect of chromia nano...
Titanium dioxide is an important photocatalytic material with much activity in modifying it to achie...
© 2018 IEEE. We present density functional theory simulations of novel heterostructures composed of ...
Metal oxide photocatalysts are widely studied for applications in solar driven environmental remedia...
Surface modification of titania surfaces with dispersed metal oxide nanoclusters has the potential t...
Surface modification of titania surfaces with dispersed metal oxide nanoclusters has the potential t...
Work on the design of new TiO2 based photocatalysts is described. The key concept is the formation o...
In reduced TiO2, electronic transitions originating from the Ti3+- induced states in the band gap ar...
In order to provide insight into the influence of co-doping with boron (B) and transition metals (TM...