A major obstacle in realizing Na-ion batteries (NIBs) is the absence of suitable anode materials. Herein, we firstly report the anatase TiO2 mesocages constructed by crystallographically oriented nanoparticle subunits as a high performance anode for NIBs. The mesocages with tunable microstructures, high surface area (204 m(2) g(-1)) and uniform mesoporous structure were firstly prepared by a ge...

In general, anatase TiO2 exhibits higher photocatalytic activities than rutile TiO2. However, the reasons for the differences in photocatalytic activity between anatase and rutile are still being debated. In this work, the band structure, density of states, and effective mass of photogenerated charge carriers for anatase, rutile and brookite TiO2 are investigated by the first-principle density ...

The first principles were calculated to study the adsorption behaviors of caffeine molecules on the pristineand N-doped TiO2 anatase nanoparticles. Both oxygen and nitrogen in the caffeine molecule can reactstrongly with TiO2 nanoparticle. Thus, the binding sites were located on the oxygen or nitrogen atom ofthe caffeine, while the binding site of the TiO2 nanoparticle occurs ...

in order to fabricate transparent tio2 nanotube dye-sensitized solar cells, anodically growth nanotube membranes are detached from ti substrate by a re-anodization method. the membranes are transferred on fto glass by two different methods. at the first one, 100mm ti-isopropoxide is used to make tio2 nanoparticles for adhering tio2 nanotube membranes to fto and in the second one a commercial ti...

This paper aims to introduce small angle X-ray scattering (SAXS) as a promising technique for measuring size and size distribution of TiO2 nanoparticles. In this manuscript, pulsed laser ablation in liquids (PLAL) has been demonstrated as a quick and simple technique for synthesizing TiO2 nanoparticles directly into deionized water as a suspension from titanium targets. Spherical TiO2 nanoparti...

This work describes a potential anode material for lithium-ion batteries (LIBs), namely, anatase TiO2 nanoparticle-decorated carbon nanotubes (CNTs@TiO2). The electrochemical properties of CNTs@TiO2 were thoroughly investigated using various electrochemical techniques, including cyclic voltammetry, electrochemical impedance spectroscopy, galvanostatic cycling, and rate experiments. It was revea...

A combined molecular dynamics (MD) simulation and density functional theory (DFT) calculations were used to investigate the effect of acetonitrile (ACN) solution on absorption charge transfer in a D205 indoline dye at interface TiO2 nanoparticle. DFT carried out estimate equilibrium geometry small Ti30O62H4-anatase nanoparticle derive interaction parameters for bidentate binding TiO2. series co...

Donor-modified TiO2 nanoparticles are interesting hybrid systems shifting the absorption edge of this semiconductor from ultra-violet to visible or infrared light spectrum, which is a benefit for several applications ranging photochemistry, photocatalysis, photovoltaics, photodynamic therapy. Here, we investigate properties two catechol-like molecules, that is, dopamine and DOPAC ligands, when ...

In this paper, we report a new method to prepare the polymer/inorganic nanoparticle composites using electron irradiation-induced polymerization. The mixture of nanoparticles and MMA solution were co-irradiated by 1.6 MeV electron beam to a dose of 10, 20 and 30 kGy at a dose-rate of 60 kGy/h in air at room temperature. The products after irradiation were extracted using a soxhlet extractor wit...