Bruix Fusté, Albert (Date of defense: 2014-02-17)
This thesis focuses on the computational study of models for platinum catalysts supported on cerium oxide (CeO2) which are of technological relevance. In these catalysts, ceria is often found acting as ...
Viñes Solana, Francesc (Date of defense: 2008-04-04)
Los carburos de metales de transición (TMC) de metales tempranos presentan una actividad catalítica comparable a los catalizadores metálicos de las tríadas del Pt, además de una combinación única de ...
Demiroglu, Ilker (Date of defense: 2014-02-27)
Throughout this thesis, we have studied ZnO and its properties in a bottom-up manner through a dimensionality range starting from 0D nanoparticles to 3D bulk phases. For the 0D clusters and the 2D ...
Reta Mañeru, Daniel (Date of defense: 2016-01-22)
This thesis presents a theoretical and computational approach to the accurate description of magnetic exchange interactions in a variety of complex systems. These include two main families of compounds. ...