During the past decade, much attention has been paid to the replacement of homogeneous catalysts by solid acid catalysts. Friedel-Crafts benzylation of toluene with benzyl chloride (BC) in liquid phase was carried out over highly active, nano-crystalline sulfated titania systems. These catalysts were prepared using the sol gel method. Modification was done by loading 3% of transition metal oxides over sulfated titania. Reaction parameters such as catalyst mass, molar ratio, temperature, and time have been studied. More than 80% conversion of benzyl chloride and 100% selectivity are shown by all the catalysts under optimum conditions. Catalytic activity is correlated with Lewis acidity obtained from perylene adsorption studies. The reaction appears to proceed by an electrophile, which involves the reaction of BC with the acidic titania catalyst. The catalyst was regenerated and reused up to four reaction cycles with equal efficiency as in the first run. The prepared systems are environmentally friendly and are easy to handle.
While most of the thermoelectric materials work well only at low and mid temperatures, high-temperature thermoelectric materials (T > 900 K) are equally important for the operation of deep-spacecraft missions, nuclear reactors, and high-temperature industrial reactors. To accomplish this demand, this work provides insights into wide band gap semiconducting RFeO 3 (rare-earth orthoferrites) for high-temperature thermoelectric applications. Using the first-principles density functional theory calculations, we have demonstrated the coexistence of extremely flat and corrugated flat bands near the Fermi region in a wide band gap material. The presence of such features enhances and sustains the thermopower, electrical conductivity, and power factor, which are the crucial factors for the efficiency of thermoelectric materials. Semiclassical Boltzmann formalism was then employed to study the transport properties of four orthorhombic RFeO 3 materials (R = Pr, Nd, Sm, and Gd). Our results reveal high Seebeck coefficients (thermopower) along with the large electrical conductivities over the high hole doping carrier concentration and in the high-temperature region (T > 900 K). Furthermore, significantly large power factors are obtained with very low theoretical minimum lattice thermal conductivity in the range 1.41−1.51 W m −1 K −1 . These huge power factors directly suggest the maximum power output in RFeO 3 , which we believe is a more appropriate performance index than the figure of merit, especially for hightemperature thermoelectric applications. We also emphasize that the outcomes of our work would be certainly useful for experimentalists in designing high-temperature thermoelectric materials.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.