Now showing items 1-18 of 18
Roncero Barrero, Cristina (Date of defense: 2022-09-23)
Purely organic radical-based materials constitute a promising approach for the miniaturization of devices due to their interesting optical, electronic and magnetic properties, and are good candidates to substitute scarce ...
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 particles using computational ...
Lafuente Hernández, Mª Pilar (Date of defense: 2016-12-21)
The objective of this PhD thesis has been the study of the mechanisms that stabilize high-spin states in organic molecule-based magnetic materials. These materials require organic radicals with permanent magnetic moment ...
Blanco, Pablo Miguel (Date of defense: 2020-11-25)
I have carried out this thesis in the Biophysical Chemistry of Macromolecules and Colloids research group of the University of Barcelona. In the recent years, the research group have made significant contributions to the ...
Figueroba Sánchez, Alberto (Date of defense: 2017-07-14)
The thesis entiteled “Density Functional Modelling of Materials for Fuel Cell Catalysts with Reduced Content of Critical Components” deals with the following studies: • Adsorption sites at the {100} nanofacets of ceria ...
Lamiel Garcia, Josep Oriol (Date of defense: 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. Primerament ...
López Martínez, Montserrat (Date of defense: 2017-09-26)
Electron Transfer (ET) plays essential roles in crucial biological processes such as cell respiration and photosynthesis. It takes place between redox proteins and in protein complexes that display an outstanding efficiency ...
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 hand, the capture, ...
Ozaeta Laverde, Pablo (Date of defense: 2017-07-12)
Natural Gas with more than 80% methane has a liquefaction temperature around -165 ° C. Temperature at which the gas reduces its volume by a factor of 600/1. This operating temperature makes the use of ferritic materials ...
Cuko, Andy (Date of defense: 2018-09-24)
Properties of nanomaterials are known to be size dependent and generally are very different from those of the corresponding bulk. Such behaviour, which is strongly system and structure dependent, allows one to tune material’s ...
Alonso Benito, Gerard (Date of defense: 2019-11-29)
Two main topics are treated in this doctoral thesis from a theoretical and computational point of view: the gas capture and separation from post-combustion flue gases, and the enhanced oil recovery from oil reservoirs. The ...
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 two fundamental ...
Mondelo-Martell, Manel (Date of defense: 2018-06-18)
Quantum confinement effects, understood as the changes on the structure and dynamics of a molecule when it goes from a free environment to a cavity with some characteristic length of the order of the nanometer, represent ...
Francese, Tommaso (Date of defense: 2019-03-25)
In this work, we characterized and studied the properties associated to DTA-based bistable organic molecular magnetic systems, namely PDTA and TDPDTA, respectively. In both cases, the low and high temperature phases have ...
Bedoya Escobar, Juliana (Date of defense: 2017-07-12)
La proyección fría es una técnica de proyección térmica que permite la obtención de recubrimientos metálicos y metal/cerámicos con estructuras densas (porosidad inferior a 0,1%) y libres de óxidos. De manera general, ésta ...
Blancafort Jorquera, Miquel (Date of defense: 2019-11-15)
The study of superfluid helium has been carried out mainly by physicists. In recent years, taking advantage of the potentialities presented by superfluid helium nanodroplets (HeNDs) as inert matrices at very low temperatures ...
Climent Biescas, Claudia (Date of defense: 2017-07-07)
In this thesis, different organic and organometallic molecules with interest for optoelectronic applications have been studied from a computational standpoint. The work presented in this thesis belongs to the molecular ...
Pagès Casas, Josep M. (Date of defense: 2019-07-19)
Particles dispersed in nematic liquid crystals (NLCs), also called nematic colloids, are nowadays typical experimental systems studied in the field of Soft Matter. In this scenario, the interactions and forces between ...