Black TiO2 nanomaterials have recently emerged as promising candidates for solar-driven
photocatalytic hydrogen production. Despite the great efforts to synthesize highly reduced …

TiO2 photocatalysts have been widely used in the field of renewable energy and
environmental clean-up. However, the large band gap of TiO2, along with the fast …

Redox-active oxides find use in many applications, including catalysts, photovoltaic devices,
self-cleaning glasses, chemical sensors and electronic components. Their utility derives …

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 …

The amorphous titanium dioxide (a-TiO2) has drawn attention recently due to the finding that
it holds promise for coating conventional photoelectrodes for corrosion protection while still …

The formation energies of oxygen vacancies at different surface and subsurface sites of
anatase (101), anatase (001), and rutile (110) surfaces are calculated by the screened …

As a prototypical photocatalyst, TiO 2 is a material of scientific and technological interest. In
photocatalysis and other applications, TiO 2 is often reduced, behaving as an n-type …

Highlights•The most studied methods for making H 2 from water are: electro-catalytic, photo-
catalytic, and thermally driven reactions.•The most important challenge in the thermally …

We investigate the behavior of oxygen vacancies in three different metal-oxide
semiconductors (rutile and anatase TiO 2, monoclinic WO 3, and tetragonal ZrO 2) using a …

Charged defects in two-dimensional (2D) materials have emerging applications in quantum
technologies such as quantum emitters and quantum computation. The advancement of …