Mostrando ítems 1-10 de 11
Bruix Fusté, Albert (Fecha de defensa: 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 ...
Figueras Valls, Marc (Fecha de defensa: 2021-12-14)
Over the recent decades, several studies revealed the precarious climate situation which is threatening all Life forms on earth, including mankind, even if sometimes we tend to ignore the actual fragility ...
Viñes Solana, Francesc (Fecha de defensa: 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 ...
López Berbel, Martí (Fecha de defensa: 2023-03-03)
[eng] Transition metal carbides (TMCs) have acquired a wide potential as a green chemistry catalysts. Their relatively high abundance and their catalytic performance makes them great candidates to replace ...
Demiroglu, Ilker (Fecha de defensa: 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 ...
Jurado Mañas, Anabel (Fecha de defensa: 2023-06-21)
[eng] MXene materials, the low-dimensional counterpart of transition metal carbides and nitrides present suitable properties as catalysts in heterogeneous catalysis given the similar properties with ...
Reta Mañeru, Daniel (Fecha de defensa: 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. ...
Posada Pérez, Sergio (Fecha de defensa: 2018-03-12)
Our society has a problem with the use of fossil fuels, due to the vast and exceeding emissions derived from human activities. Two ways could be consider to mitigate these harmful effects. On the one ...
Lamiel Garcia, Josep Oriol (Fecha de defensa: 2017-09-27)
En aquesta tesi s’han realitzat càlculs DFT per tal d’estudiar els sistemes TiO2 i ZnO i poder analitzar-ne les característiques de l’estructura electrònica, geometria i estabilitat energètica principalment. ...
Macià Escatllar, Antoni (Fecha de defensa: 2020-09-04)
The research presented in this thesis contributes to the understanding of both titania and silicate nanosystems by providing new information on energetic stability and properties of nanometer sized ...