Recent advances in non-metal doped titania for solar-driven photocatalytic/photoelectrochemical water-splitting

YY Wang, YX Chen, T Barakat, YJ Zeng, J Liu… - Journal of Energy …, 2022 - Elsevier
Abstract Photocatalytic (PC)/Photoelectrochemical (PEC) water splitting under solar light
irradiation is considered as a prospective technique to support the sustainable and …

Review of functional titanium oxides. I: TiO2 and its modifications

N Rahimi, RA Pax, EMA Gray - Progress in Solid State Chemistry, 2016 - Elsevier
An extensive and wide-ranging literature about the polymorphs of titanium dioxide (TiO 2)
has accumulated during the last few decades, providing a very large resource of data on its …

A surface science perspective on TiO2 photocatalysis

MA Henderson - Surface Science Reports, 2011 - Elsevier
The field of surface science provides a unique approach to understanding bulk, surface and
interfacial phenomena occurring during TiO 2 photocatalysis. This review highlights, from a …

Probing the Optical Property and Electronic Structure of TiO2 Nanomaterials for Renewable Energy Applications

M Kapilashrami, Y Zhang, YS Liu, A Hagfeldt… - Chemical …, 2014 - ACS Publications
The world's energy consumption is predicted to grow by 56% by the year 2040, from 520
quadrillion Btu pa in 2010 to 820 quadrillion Btu/pa, as reported by the US Energy …

The Electronic Origin of the Visible-Light Absorption Properties of C-, N- and S-Doped TiO2 Nanomaterials

X Chen, C Burda - Journal of the American Chemical Society, 2008 - ACS Publications
The origin of the visible-light absorption of main-group element (C, N, S) doped TiO2
nanostructures is investigated via diffuse reflectance and valence band X-ray photoelectron …

The Role of Interstitial Sites in the Ti3d Defect State in the Band Gap of Titania

S Wendt, PT Sprunger, E Lira, GKH Madsen, Z Li… - Science, 2008 - science.org
Titanium dioxide (TiO2) has a number of uses in catalysis, photochemistry, and sensing that
are linked to the reducibility of the oxide. Usually, bridging oxygen (Obr) vacancies are …

Theory of carbon do** of titanium dioxide

C Di Valentin, G Pacchioni, A Selloni - Chemistry of Materials, 2005 - ACS Publications
Recent experimental studies have determined that carbon do** dramatically improves the
photocatalytic activity of TiO2 in the visible-light region. Using density functional theory (DFT) …

Reformulation of as a Pseudohybrid Hubbard Density Functional for Accelerated Materials Discovery

LA Agapito, S Curtarolo, M Buongiorno Nardelli - Physical Review X, 2015 - APS
The accurate prediction of the electronic properties of materials at a low computational
expense is a necessary condition for the development of effective high-throughput quantum …

Excess electron states in reduced bulk anatase TiO2: comparison of standard GGA, GGA+ U, and hybrid DFT calculations

E Finazzi, C Di Valentin, G Pacchioni… - The Journal of chemical …, 2008 - pubs.aip.org
The removal of lattice O atoms, as well as the addition of interstitial H atoms, in TiO 2 is
known to cause the reduction in the material and the formation of “Ti 3+” ions. By means of …

Controllable synthesis of Bi 4 O 5 Br 2 ultrathin nanosheets for photocatalytic removal of ciprofloxacin and mechanism insight

J Di, J **a, M Ji, S Yin, H Li, H Xu, Q Zhang… - Journal of Materials …, 2015 - pubs.rsc.org
A novel Bi4O5Br2 photocatalyst was prepared via a reactable ionic liquids-assisted
solvothermal method accompanied with facile pH control. A Bi4O5Br2 ultrathin nanosheets …