In this study, electronic structures of ground state of pure vanadium sub-nano clusters, Vn (n=2-5), and their interactions with small ligands for example CO and triplet O2 molecules are investigated by using density functional theory (DFT) calibration at the mPWPW91/QZVP level of theory. The favorable orientations of these ligands in interaction with pure vanadium sub-nano clusters were determ...

Templated electrodeposition was used to synthesize silver-zinc oxide nanowires and iron oxide (Fe2O3) nanotubes in polycarbonate track etched (PCTE) membranes. Metal/oxide segmented nanowires were made to produce hydrogen gas from a water/methanol mixture under ultraviolet irradiation. It was observed that gas production increased during irradiation. Iron oxide nanotubes were synthesized via a ...

The oxidation of methanol to formaldehyde on silica supported vanadium oxide is studied by density functional theory. For isolated vanadium oxide species silsesquioxane-type models are adopted. The first step is dissociative adsorption of methanol yielding CH3O(O=)V(O-)2 surface complexes. This makes the O=V(OCH3)3 molecule a suited model system. The rate-limiting oxidation step involves hydrog...

Nano-materials have unique physical properties that have attracted more and more attention as a cathode in rechargeable ion batteries and selective gas sensors such as ammonia because of their high surface area and redox activity [1-3]. Biological activity of vanadium pentoxide nanomaterial depends on factors such as the type of the derivative, manner of its administration, dose, length of trea...

The solution used in a vanadium flow battery is vanadium oxide, V2O5, dissolved in sulfuric acid and water. All conventional batteries must contain two unique solutions. Production of the solution is more space and time efficient, and it is impossible to contaminate the battery within itself. Another advantage is that the reaction is in aqueous solution and requires no phase changes. We are cur...

Two new vanadium oxide compounds, which contain interlamellar transition metal complexes bound to vanadium oxide sheets, were synthesized hydrothermally. The crystal structure of each reveals unusual coordination geometries and interlayer bonding. [Ni(2,29-bipyridine)]2[V12O32] (1) was prepared from the reaction of V2O5, NiO, H2O and 2,29-bipyridyl in the molar ratio 4:8:3312:0.5. The isomorpho...

A series of V205/TiO 2/SiO 2 catalysts were structurally investigated by in situ Raman spectroscopy and chemically probed by methanol oxidation in order to determine the molecular structure-reactivity relationships of the V205/TiO 2/SiO 2 catalysts. Only surface TiO,. species are present on the 3% TiO 2 /S iO 2 catalysts, and the surface TiO x species as well as bulk TiO 2 (anatase) particles c...

Superlattices have attracted great interest because of their tailorable electronic properties at the interface. However, the lack of an efficient and low-cost synthetic method represents a huge challenge to implement superlattices into practical applications. Herein, we report a space-confined nanoreactor strategy to synthesize flexible freestanding graphene-based superlattice nanosheets, which...