Reduction/oxidation behaviour of high surface area CeO 2 and Ce 0.5 Zr 0.5 O 2 mixed oxide
is compared. It is shown that introduction of ZrO 2 into the CeO 2 framework with formation …

Modeling multiple-valence compounds using density-functional theory has long been
considered a formidable task due to the role that strong electronic correlations play in these …

The atomistic and electronic structures of oxygen vacancies on the (111) and (110) surfaces
of ceria are studied by means of periodic density functional calculations. The removal of a …

Computer simulation techniques have been used to model cubic CeO 2 −ZrO 2 solid solutions
in the whole composition range. Aspects related with the oxygen storage capacity of these …

The chemistry of halogen-dimethyl sulfoxide-ruthenium (II) complexes has been extensively
studied in recent years, 1 11'13 and several derivatives have been structurally characterized…

CeO 2 –ZrO 2 solid solutions supported with Rh and Pt are investigated as catalysts for
reduction of NO by CO. The incorporation of ZrO 2 into the CeO 2 framework strongly promotes …

The (110), (111), and (310) surfaces of cubic CeO 2 −ZrO 2 solid solutions have been studied
by computer simulation techniques using atomistic models. Surface energies, Ce 4+ /Ce 3…

TiO 2 -based systems have attracted an increasing interest for their potential use as
photocatalysts under visible-light irradiation. In this context, the present work was dedicated to the …

We address the issues raised in the preceding Comment by discussing the effects of an
explicit account of the nonlinear core correction (NLCC) into the Ce pseudopotential employed …

In this paper we report the synthesis of two new classes of chloride-sulfoxide-Ru(III) derivatives
containing a nitrogen ligand (L) of general formula: Na[trans-RuCl 4 (R 2 SO)(L)] and mer…