Solid catalysts are very useful functional materials, which are used in 90% of industrial
processes. The most important are the supported ones. In these catalysts, nanoparticles of …

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

Graphene‐semiconductor nanocomposites, considered as a kind of most promising
photocatalysts, have shown remarkable performance and drawn significant attention in the …

Tailored synthesis of well-defined anatase TiO2 nanocrystals with a high percentage of
reactive facets has attracted widespread attention due to the scientific and technological …

The two polymorphs of Ti O 2⁠, rutile and anatase, have been investigated at the ab initio
level using different Hamiltonians with all-electron Gaussian and projector augmented plane …

We present a unified ab initio study of electronic and optical properties of TiO 2 rutile and
anatase phases with a combination of density-functional theory and many-body perturbation …

A comparative investigation of surface hydroxylation states for anatase–TiO2 and γ-alumina
is crucial for a better understanding of how these materials behave as catalytic supports …

Uniform anatase TiO2 nanocuboids enclosed by active {100} and {001} facets over a wide
size range (60–830 nm in length) with controllable aspect ratios were solvothermally …

The chemical reactivity of different surfaces of titanium dioxide (TiO2) has been the subject
of extensive studies in recent decades. The anatase TiO2 (001) and its (1× 4) reconstructed …

We investigate band gaps, equilibrium structures, and phase stabilities of several bulk
polymorphs of wide-gap oxide semiconductors ZnO, TiO 2, ZrO 2, and WO 3. We are …