Higher charge/discharge rates of lithium-ions across engineered TiO2 surfaces leads to enhanced battery performance.

Anatase TiO(2) having different percentages of (001)/(101) surface demonstrated different behaviors for Li(+) ions insertion and much enhanced rate performance of Li-ion batteries.

Growth velocity and direct length-sorted growth of short single-walled carbon nanotubes by a metal-catalyst-free chemical vapor deposition process.

We report on the observation of a very low growth velocity of single-walled carbon nanotubes (SWNTs) and consequently the direct length-sorted growth and patterned growth of SWNTs by using a metal-catalyst-free chemical vapor deposition (CVD) process proposed recently by our group, in which SiO(2) serves as catalyst. We found that the growth velocity of the SWNTs from SiO(2) catalyst is only 8.3 nm/s, which is about 300 times slower than that of the commonly used iron group catalysts (Co as a counterpart catalyst in this study).

Solvothermal synthesis and photoreactivity of anatase TiO(2) nanosheets with dominant {001} facets.

Owing to wide-ranging industrial applications and fundamental importance, tailored synthesis of well-faceted single crystals of anatase TiO(2) with high percentage of reactive facets has attracted much research interest. In this work, high-quality anatase TiO(2) single-crystal nanosheets mainly dominated by {001} facets have been prepared by using a water-2-propanol solvothermal synthetic route. The synergistic functions of 2-propanol and HF on the growth of anatase TiO(2) single-crystal nanosheets were studied by first-principle theoretical calculations, revealing that the addition of 2-propanol can strengthen the stabilization effect associated with fluorine adsorption over (001) surface and thus stimulate its preferred growth.

Computational study of methyl derivatives of ammonia borane for hydrogen storage.

The structures and thermodynamic properties of methyl derivatives of ammonia-borane (BH3NH3, AB) have been studied with the frameworks of density functional theory and second-order Møller-Plesset perturbation theory. It is found that, with respect to pure, methyl ammonia-boranes show higher complexation energies and lower reaction enthalpies for the release of H2, together with a slight increment of the activation barrier. These results indicate that the methyl substitution can enhance the reversibility of the system and prevent the formation of BH3/NH3, but no enhancement of the release rate of H2 can be expected.

Anatase TiO2 single crystals with a large percentage of reactive facets.

Owing to their scientific and technological importance, inorganic single crystals with highly reactive surfaces have long been studied. Unfortunately, surfaces with high reactivity usually diminish rapidly during the crystal growth process as a result of the minimization of surface energy. A typical example is titanium dioxide (TiO2), which has promising energy and environmental applications.

Functional anion concept: effect of fluorine anion on hydrogen storage of sodium alanate.

Doping NaAlH(4) with Ti-catalyst has produced a promising hydrogen storage system that can be reversibly operated at moderate temperature conditions. Of the various dopant precursors, TiCl(3) was well recognized due to its pronounced catalytic effect on the reversible dehydrogenation processes of sodium aluminium hydrides. Quite recently we experimentally found that TiF(3) was even better than TiCl(3) in terms of the critical hydrogen storage properties of the doped hydrides, in particular the dehydriding performance at Na(3)AlH(6)/NaH + Al step at moderate temperature.