相关论文: Structure of a Water Monolayer on the Anatase TiO$…

The unique structural properties of interfacial water are at the heart of a vast range of important processes in electrochemistry, climate science, and biophysics. At interfaces, water molecules exhibit preferential orientations and an…

Photocatalytic reactions on TiO2 have recently gained an enormous resurgence because of various new strategies and findings that promise to drastically increase efficiency and specificity of such reactions by modifications of the titania…

We investigated the initial growth of TiTe$_2$ on Au(111) from sub-monolayer to multi-layer coverage by scanning tunneling microscopy (STM), low-energy electron diffraction intensity analysis (LEED-IV), and density functional theory (DFT).…

Ab initio calculations within the density-functional theory formalism are performed to investigate the ground state, electric charge doping, and electronic properties of titanium and titanium dioxide monolayers adsorbed on a graphene…

Although perovskite oxides hold promise in applications ranging from solid oxide fuel cells to catalysts, their surface chemistry is poorly understood at the molecular level. Here we follow the formation of the first monolayer of water at…

Converting CO$_2$ to useful compounds through the solar photocatalytic reduction has been one of the most promising strategies for artificial carbon recycling. The highly relevant photocatalytic substrate for CO$_2$ conversion has been the…

The Co-doped anatase TiO$_{2}$, a recently discovered room-temperature ferromagnetic insulator, has been studied by the first-principles calculations in the pseudo-potential plane-wave formalism within the local-spin-density approximation…

Water's ability to self-dissociate into H$_3$O$^+$ and OH$^-$ ions is central to acid-base chemistry and bioenergetics. Recent experimental advances have enabled the confinement of water down to the nanometre scale, even to the…

We present a comprehensive density-functional theory study addressing the adsorption, dissociation and successive diffusion of water molecules on the two regular terminations of SrTiO3(001). Combining the obtained supercell-geometry…

Determining the structure of water adsorbed on solid surfaces is a notoriously difficult task, and pushes the limits of experimental and theoretical techniques. Here, we follow the evolution of water agglomerates on Fe3O4(001); a complex…

Monolayer fullerene (C$_{60}$) networks combine molecular-level rigidity with crystalline connectivity, offering a promising platform for numerous applications. In this Feature article, we review the physical and chemical properties of…

In this work, using theoretical calculations within the framework of the density functional theory, taking into account the dispersive VDW interaction, the processes of adsorption and interaction of a water molecule with a TiO2 surface in…

Nanotubed titanic acid (H2Ti2O4(OH)2) was prepared from nanotubed sodium titanate (Na2Ti2O4(OH)2) by an ion exchange reaction in a pH=1 HCl solution. The effect of annealing temperature on the morphology, structure and photocatalytic…

Titanium dioxide (TiO2) nanocrystals were prepared by wet chemical method and characterized by x-ray diffraction (XRD), transmission electron microscopy (TEM), Raman scattering (RS) and photoluminescence (PL). The X-ray diffraction shows…

The process of environmental oxidation is pivotal in determining the physical and chemical properties of two-dimensional (2D) materials. Its impact holds great significance for the practical application of these materials in nanoscale…

Configuring TiO2 into bicontinuous mesostructures greatly improves its photocatalytic efficiency. This is often ascribed to the expanded surface area. Yet, whether mesostructuring modulates TiO2's electronic structure and how that…

Visible-light photocatalyst titanium dioxide (TiO2) was successfully prepared via a novel and facile single-mode microwave assisted synthesis process. In this one-step synthesis, Ti as target material selectively oxides in magnetic field…

Zr/N co-doped TiO2 nanostructures were successfully synthesized using nanotubular titanic acid (NTA) as precursors by a facile wet chemical route and subsequent calcination. These Zr/N-doped TiO2 nanostructures made by NTA precursors show…

Magneli phases of titanium dioxide (such as Ti4O7, Ti5O9, etc.) provide electronic properties, namely a stable metallic behavior at room temperature. In this manuscript, we demonstrate that nanoscopic Magneli phases, formed intrinsically in…

Understanding mechanisms in DSSCs is fundamental for their improvement; this includes the nanocrystalline semiconducting layer behaviour. Different mesoporous TiO2 layers are fabricated and analyzed for possible use in DSSC solar cells. The…