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RISEffect of the aluminum content on the behavior of mechanochemical reactions in theWO3–C–Al system
of aluminum, so that carbon acts not only as a carbide former agent but also as a reductant. Aluminum and carbon contents of the mixture were altered according to the following reaction: WO3 + (4 − 1.5x)C + xAl = WC + (x/2)Al2O3 + (3 − 1.5x)CO(g). The value...
A fixed sublithospheric source for the late Neogene track of the Yellowstone hotspot: Implications of the Heise and Picabo volcanic fields
Quantum Chemical Study of the NO Adsorption on the WO3 Nano-clusters
Ab initio calculations, using the density functional theory with the B3LYP functional, have been
applied to study the NO adsorption on the (WO3)n nano-clusters. For this study some general clusters
with n=2, 3, 4, 6 have been chosen...
Density of States and Natural Bond Orbital Analysis on the NO Degradationon the Tungsten OxideSurface
accordance to population analysis.
By using a hybrid DFT/MM calculation at the B3LYP/LANL2DZ:UFFof WO3, and by
adding adsorbed NO molecules to the WO3 surface, we have shown that NO adsorbs as
neutral on perfect (vacancy free) WO3...
DOS Spectra and NBO Analysis of the NO2Surface Interactions on the Cyclic (WO3)n (n=2-6) Nano-Clusters
DOS comparisons of the WO3 before and after NO2 adsorption shows that the most obvious change is that all bands shift towards low energies after adsorption, leading to the partial filling of the conduction band maximum(CBM). DOS analysis suggests...
Theoretical Study of NO Oxidation on the Nanocrystalline Surface of the Cubic Tungsten Oxide
of the reaction, including the Gibbs free energy
change(ΔGᵒ), enthalpy change(ΔHᵒ),and entropy change(ΔSᵒ) have been calculated. As
a result it can be concluded that WO3 crystal can be used for NO sensing.
All calculations were done using...
New 12-Tungstophosphate-Based Organic-Inorganic Hybrid. Synthesis, Spectroscopic
and single crystal X-ray determination. Full decomposition of the hybrid leads to WO3 powder was studied by IR, SEM and XRD....
Nanocasting Synthesis of Ultrafine WO3 Nanoparticles for Gas Sensing Applications
Ultrafine WO3 nanoparticles were synthesized by nanocasting route, using mesoporous SiO2 as a template. BET measurements showed a specific surface area of 700 m 2/gr for synthesized SiO2, while after impregnation and template removal, this area...