Semiconductor based photocatalysis has been considered as a propitious technology to
resolve sustainably energy scarcity and environmental pollution across the globe. Though …

Titanium dioxide (TiO2) is well-known to be the most practical and prevalent photocatalyst,
1− 17 for it is chemically stable, abundant, nontoxic, and cost-effective. Photogenerated …

Rapid industrialization and urbanization emphasized water purification and the production
of carbon-neutral fuels. State-of-the-art technology that is low-cost, long-lasting, and easy to …

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 …

In this study, we present a combined density functional theory and many-body perturbation
theory study on the electronic and optical properties of TiO 2 brookite as well as the …

Driven by growing concerns for environmental and energy issues, interest in semiconductor-
based heterogeneous photocatalysis has increased considerably over the last decades …

We report on the synthesis of phase-pure TiO 2 nanoparticles in anatase, rutile and brookite
structures, using amorphous titania as a common starting material. Phase formation was …

Defects at transition metal (TM) and rare earth (RE) oxide surfaces, neutral oxygen
vacancies in particular, play a major role in a variety of technological applications. This is the …

Defect states in reduced and n-type doped titania are of fundamental importance in several
technologically important applications. Still, the exact nature of these states, often referred to …

We report periodic density functional theory (DFT) calculations for CeO 2 and Ce 2 O 3 using
the Perdew-Burke-Ernzerhof (PBE0) and Heyd-Scuseria-Ernzerhof (HSE) hybrid functionals …