Study of the photocatalytic activity of Keggin and Wells Dawson heteropolyacids: role of the acidity and of the pseudo-liquid phase regime

Study of the photocatalytic activity of Keggin and Wells Dawson heteropolyacids: role of the acidity and of the pseudo-liquid phase regime

Catalytic activity of supported cobalt oxide for SCR of NO by C3H6 in the presence of excess O2,

Surface and Bulk Changes of a Pt 1%/Ce0.6Zr0.4O2 Catalyst During CO Oxidation in the Absence of O2

Supported Keggin heteropolyacid catalysts for glycerol acetylation

Heteropolyacids (HPAs) are a class of molecular metal oxides called polyoxometalates, with a heteroatom in the cluster structure forming an oxo-metallic cluster with the addenda metal atoms. Due to the tunable acid-base and redox properties, HPAs have been used as catalysts both for homogeneous and heterogeneous reactions. Many efforts have been devoted to HPAs heterogeneization because, being soluble in polar solvents, their separation and recovery in liquid-solid regime reactors is a relevant practical application problem. Moreover, due to the low specific surface areas (1÷10 m2 g-1) their dispersion on supports with high surface area can increase the accessibility of the reacting species…

First Principles Modeling of Pd-doped (La,Sr)(Co,Fe)O3Complex Perovskites

(La,Sr)(Co,Fe)O3 (LSCF) perovskites are well known promising materials for cathodes of solid oxide fuel cells. In order to reduce cathode operational temperature, doping on B-sublattice with different metals was suggested. Indeed, as it was shown recently experimentally, doping with low Pd content increases oxygen vacancy concentration which is one of factors controlling oxygen transport in fuel cells. In this Communication, we modeled this material using first principles DFT calculations combined with supercell model. The charge density redistribution, density of states, and local lattice distortion around palladium ions are analyzed and reduction of the vacancy formation energy confirmed.