RODRÍGUEZ REMESAL , Elena

En este trabajo se ha profundizado en el estudio del diseño de nuevos catalizadores para la reacción de desplazamiento de agua, WGS, utilizando como promotor un metal alcalino. En el capítulo 1, se realiza una breve introducción general a los conceptos básicos de la catálisis heterogénea utilizados a lo largo de la discusión de los resultados...

Continuando la línea de investigación iniciada en el primero de esta serie de congresos, relativa a mostrar las biografías de mujeres españolas de primeros del siglo pasado, pioneras de la ciencia aunque auténticas desconocidas a la vez para la sociedad, en razón de la escasa documentación que se encuentra sobre ellas, los autores glosan en...

Ceria‐titania interfaces play a crucial role in different chemical processes but are especially promising for the photocatalytic splitting of water using light in the visible wavelength region when Pt is added to the system. However, the complexity of this hierarchical structure hampers the study of the origin of its outstanding properties. In...

Interfacial tension of some hydrocarbon/water systems, including a mixture of aliphatic and aromatic hydrocarbons, has been estimated on the basis of molecular dynamics simulations. The dependence of the interfacial properties on the salinity of the aqueous phase and the temperature has been simulated. Different concentrations in NaCl and CaCl2...

The optoelectronic properties of several Ag2S/graphene and FeS2/graphene nanostructures are examined through density functional theory calculations including dispersion forces. First, we analyzed the electronic structure of Ag2S and FeS2 nanocluster models, as prototypes of quantum dots, focusing on the electronic structure and absorption...

The addition of potassium atoms to Cu(111) and Cu/TiO2(110) surfaces substantially enhances the rate for water dissociation and the production of hydrogen through the water-gas shift reaction (WGS, CO + H2O → H2 + CO2). In the range of temperatures investigated, 550-625 K, Cu/K/TiO2(110) exhibits a WGS activity substantially higher than those...

Potassium deposition on TiO2(110) results in reduction of the substrate and formation of loosely bound potassium species that can move easily on the oxide surface to promote catalytic activity. The results of density functional calculations predict a large adsorption energy (∼3.2 eV) with a small barrier (∼0.25 eV) for diffusion on the oxide...