A facile auto-combustion route is used for the synthesis of Gd(3+) (2, 5, 7 and 10 at%) co-doped CaMoO4:Eu nanoparticles. X-ray diffraction study suggests that as-prepared samples have extra impurity phases in addition to main tetragonal phase of CaMoO4, and such extra phases decrease as the annealing temperature increases from 600 to 900 °C. The crystal structure has been analysed using Rietve...

Nano-sized particles of monoclinic-LaVO4 were prepared in a short reaction time of 30 minutes by employing a microwave assisted hydrothermal synthesis in the presence of glycerol, which was used both as a solvent and structure-directing agent. The tetragonal-LaVO4 is known to show strong luminescence properties when doped with Ln(3+), whereas the monoclinic-LaVO4 is usually considered not suita...

Alumina nanorods were prepared from chromium-containing alumina sludge, and the effects of doping elements, such as Cr, Fe, and Mg, were researched. The results show that the crystal transformation of alumina is restricted by the doped Cr and facilitated by the doped Fe and Mg, which is transformed from θ-Al2O3 to α-Al2O3 in the calcination process. Meanwhile, the crystal transformation of alum...

1-Butyl-3-methyl-pyridinium-dicyanamide (BMP-dca) is carbonised with tetra-alkyl-phosphonium-bromide additives yielding nitrogen- and phosphorus-co-doped carbons with enhanced BET surface areas promoted by the additives.

synthesized using the conventional solid-state reaction method at 1350–1550°C in air in order to investigate the effect of dopants on sintering, crystal structure, chemical stability under CO2 and H2S, and electrical transport properties. The formation of the single-phase perovskite-type structure with an orthorhombic space group Imam was confirmed by Rietveld refinement using powder X-ray diff...

We have investigated the role of transition metal impurities and oxygen vacancies in the formation of ferromagnetism in Co-doped TiO2 using LSDA+U approach which takes into account strong on-cite Coulomb correlations for electronic structure calculations. Several model systems such as supercells of rutile TiO2 with Co ion in high-spin state substituted into titanium cite and with oxygen vacanci...

The Hcp-Fe7C3 phase has attracted more attention due to the high catalytic activity in Fischer–Tropsch synthesis (FTS) reactions. In this work, adsorption and activation of CO on a Co-doped hcp-Fe7C3 catalyst were investigated by density functional theory (DFT) order understand effect Co doping initial step FTS reactions iron-based catalysts. Different 001 11¯0 surfaces constructed, configurati...

The interaction and mechanism for CO oxidation on a Ru-modified CeO2 surface have been investigated by using periodic density functional theory calculations corrected with the on-site Coulomb interaction via a Hubbard term (DFT + U). Our calculations showed that (i) the Ru dopant facilitates oxygen vacancy formation, while the Ru adatoms may suppress oxygen vacancy formation. (ii) Physisorbed C...