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Theoretical study of dichalcogenides as building blocks for efficient self-healing materials
(2021-07-21)
In this thesis, the self-healing properties of a great variety of dichalcogenide-based materials including homonuclear S-S and Se-Se, and heteronuclear S-Se bonds, have been studied. In order to do so, both ab initio ...
Surface Engineering of Biomimetic Antibacterial and Biocompatible Hybrid Materials Through Molecular Layer Deposition.
(2022-12-15)
First part of this thesis highlights a new method for obtaining ultrathin conformal films composed of chitin and chitin-based organic-inorganic hybrid biomaterials from the gas phase by molecular layer deposition (MLD). ...
Computer simulations of intrinsically disordered proteins in the hypoxic response
(2022-12-19)
Las proteínas son biopolímeros esenciales en todos los organismos vivos encargadas de un gran número de funciones. Tradicionalmente, el paradigma estructura-función dictaba que todas las proteínas debían encontrarse plegadas ...
New trends in the synthesis of polyesters: from catalyst design to chemical recycling
(2022-07-26)
Los poliésteres han demostrado ser un material interesante para la misión de sostenibilidad que propone Naciones Unidas en el ámbito de los "Objetivos de Desarrollo Sostenible". Una de las razones fundamentales de su ...
Concentration fluctuations and broadening of the glass transition in dynamically asymmetric mixtures
(2023-01-31)
La presente tesis doctoral trata sobre la caracterización de mezclas poliméricas compuestas por elastómeros de estireno-butadieno (SBR) y oligómeros de poliestireno (PS), usando materiales con distinta composición isotópica ...
Dressing enzymes with tailored nanogels as a versatile approach for the development of heterogeneous biocatalysts.
(2022-12-16)
El número de aproximaciones para la inmovilización de enzimas está creciendo rápidamente debido a los avances en el campo de la biotecnología, la química de polímeros y la nanotecnología. Las enzimas son excelentes ...
Theoretical characterization of new dynamic bonds for responsive materials and their optical properties
(2023-06-16)
En esta tesis, hemos investigado diferentes tipos de enlaces dinámicos como FLP-linker y las interacciones metal-ligando con propiedades mecánicas favorables para su incorporación en materiales poliméricos. Además de esto, ...
Dynamics of the photo-induced desorption and oxidation of CO on Ru(0001) with different (O, CO) coverages
(2023-03-23)
Carbon monoxide (CO) is a neurotoxic gas emitted for instance in combustion reaction. Therefore it hasbeen sought for air treatment solution, where CO oxidation is a straight forward choice. In ultra highvacuum conditions ...
Polyurethane materials: Insights on dynamic properties and self-healing applications
(2022-11-18)
Among all the different kind of polymers formulated as crosslinked materials, polyurethane (PU) is the bestseller of the market, as very versatile and different kind of products can be synthesized changing the initial ...
Theoretical study of excited triplet states of aromatic molecules for optoelectronic applications
(2022-10-28)
Tesi honetan hainbat molekula aromatiko txikien egoera tripletea aztertu da, hala nola,bentzeno, naftaleno eta antrazeno dimeroak, alde batetik, eta PDI molekula eta betederibatuak bestetik, beti ere tokiko eszitoi eta ...