The adsorption properties of water molecules on TiO₂ nanotubes (TiO₂NT) and the interaction mechanisms between water molecules are studied by first principles calculations. The adsorption preferences of water molecules in molecular or dissociated states on clean and H-terminated TiO₂NT are evaluated. Adsorption of OH clusters on (0, 6) and (9, 0) TiO₂ nanotubes are first studied. The smallest a...

Nanostructured zinc oxide (ZnO) was successfully synthesized by precipitation method using the extract of Cylea barbata Miers (CBM) leaves as a soft template after 3 h of calcinations in furnace at 500oC in the open air. Characterization results showed that the nanostructured ZnO had hexagonal wurtzite structure with space group P63mc and nano-scale particle diameter. It was suggested that the ...

To our best knowledge there is only one example of a lattice system with long-range two-body interactions whose ground states have been determined exactly: the onedimensional lattice gas with purely repulsive and strictly convex interactions. Its ground-state particle configurations do not depend on the rate of decay of the interactions and are known as the generalized Wigner lattices or the mo...

In the present study, activated carbons of Eichornea crasssipes(EC), Sugarcane bagassae(SB), Tea waste(TW) and Guava leaf(GL) were prepared from agricultural wastes and used as an adsorbents for the removal of Acid Blue 92 (AB92) dye from aqueous solution. The effects of pH, adsorbent dosage, initial dye concentration and contact time on the extent removal of AB92 has been studied by Batch adso...

High molecular weight genomic DNA was isolated from excised marrow cotyledons (Cucurbita pepo L., zucchini) using high concentration of ethidium bromide (400 μg.ml–1) in the grinding buffer and phenol deproteinization of the crude nuclear pellet. This preparation of DNA was free of proteins but contained polysaccharide contaminations which did not allow complete digestion with a number of restr...

The Valanginian stage (Early Cretaceous) includes an episode of significant environmental changes, which are well defined by a positive δ13C excursion. This globally recorded excursion indicates important perturbations in the carbon cycle, which has tentatively been associated with a pulse in volcanic activity and the formation of the Paraná-Etendeka large igneous province (LIP). Uncertainties ...

Chemical dissociation processes are important in quantum dynamics. Such processes can be investigated theoretically and numerically through the time-dependent Schrödinger equation, which gives a quantum mechanical description of molecular dynamics. This thesis discusses the numerical simulation of chemical reactions involving dissociation. In particular, an accurate boundary treatment in terms ...