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 ...
Figueras Valls, Marc (Date of defense: 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 ...
López Berbel, Martí (Date of defense: 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 (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 ...
Jurado Mañas, Anabel (Date of defense: 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 (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. ...
Posada Pérez, Sergio (Date of defense: 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 ...
Macià Escatllar, Antoni (Date of defense: 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 ...
Prats Garcia, Hèctor (Date of defense: 2019-03-25)
The research work presented in this thesis is divided in two main topics: gas separation and heterogeneous catalysis. Although the systems studied in one part and another are quite different, they share ...