The Mott transition, namely the metal–insulator transition (MIT) driven by electron–electron interactions, is a fascinating phenomenon realized experimentally in many compounds such as V2O3 and Ni(Se,S)2. It was suggested many years ago by Johansson that the Mott transition concept is also relevant to elements in the lanthanide and actinide series. The development of dynamical mean–field method...

The increasing worldwide energy consumption calls for the design of more efficient energy systems. Thermoelectrics could be used to convert waste heat back to useful electric energy if only more efficient materials were available. The ideal thermoelectric material combines high electrical conductivity and thermopower with low thermal conductivity. In this regard, the intermetallic type-I clathr...

Methanol, formaldehyde, carbon monoxide, and propylene conversion were examined in a laboratory flow reactor over three base-metal containing alumina-supported palladium (Pd) catalysts in addition to Pd on y-alumina catalyst. The base metals were cerium, barium, and a combination of the two. Experiments were performed to determine the effect of air to fuel ratio on lightoff temperatures of vari...

The stationary functional of the density functional plus embedded dynamical mean field theory formalism to perform free energy calculations and structural relaxations is implemented for the first time. Here, the first order error in the density leads to a much smaller, second order error in the free energy. The method is applied to several well-known correlated materials: metallic SrVO_{3}, Mot...

To enable the transition away from a fossil-fuel-based energy economy, it is essential to address, in addition to energy extraction from sustainable resources, the problem of energy storage. We pursue in this work a storage strategy that relies on the capacity of selected nonstoichiometric metal oxides to uptake and release oxygen. Specifically, doped cerium oxide (ceria), a relatively abundant...

This study describes an extremely sensitive and simple assay to measure small volumes of solutions, <1 nL. The assay takes advantage of the Sandell-Kolthoff reaction in which yellow cerium(IV) is reduced to colorless cerium(III) in the presence of arsenic(III) and catalytic quantities of iodide ion. The reaction is linear with respect to the rate of Ce(IV) reduction and the quantity of I(-) pre...

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