Using first-principles density functional calculations, we show that ferroelectricity can be induced in simple alkaline-earth-metal binary oxides such as barium oxide (BaO) using appropriate epitaxial strains. Going beyond the fundamental discovery, we highlight that the functional properties (polarization, dielectric constant, and piezoelectric response) of such strained binary oxides are comp...

four different alkaline earth metal oxides i.e. mgo, cao, sro and bao were used as heterogeneous catalysts for biodiesel production from palm oil. effects of critical process variables i.e. reaction time, methanol to oil ratio and temperature were investigated. the results were then fitted to a historical design to study the analysis of variance (anova), to characterize interactions between var...

Catalytic hydrolysis technology of carbonyl sulfide (COS) at low temperature was reviewed, including the development of catalysts, reaction kinetics, and reaction mechanism of COS hydrolysis. It was indicated that the catalysts are mainly involved metal oxide and activated carbon. The active ingredients which can load on COS hydrolysis catalyst include alkali metal, alkaline earth metal, transi...

Computing the enthalpies of formation for alkali metal and alkaline earth metal oxides (M(x)O) and hydroxides [M(OH)(n)] using the Gaussian-n (Gn) and Weismann-n (Wn) ab initio model chemistries is difficult due to an improper treatment of core-valence electron correlation effects. Using a new model chemistry called the correlation consistent Composite Approach (ccCA), enthalpies of formation w...

The main disadvantage of biodiesel is its high price. The price of biodiesel depends on various factors such as the price of oil, methanol, catalyst, and labor. Among dif-ferent economic factors, oil accounts for the largest share of input costs of biodiesel production. In this study, first, suitable heterogeneous catalysts were identified for biodiesel production. Several studies were carried ...

The heat capacities of MgO, CaO, SrO and BaO, reported in part I have been analysed in terms of the frequency spectrum of the lattice with the assumption that the effect of anharmonicity of the lattice may be neglected for T (@D / 3 ) . Following the usual procedure the n-th moments of the frequency spectrum with n = — 3, —2, — 1, 0, 1 to 6 were calculated from the experimental data. From the l...