Màster Oficial - Química de Materials Aplicada
Permanent URI for this collectionhttps://hdl.handle.net/2445/65429
Treballs finals del Màster en Química de Materials Aplicada de la Facultat de Química de la Universitat de Barcelona.
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- Master thesisDesign and synthesis of supramolecular multifunctional switchable materials(2026-06) Tanyà Rovira, Sergi; Aguilà Avilés, David; Díaz-Torres, RaúlSpin-crossover (SCO) compounds are a versatile class of switchable magnetic materials with strong potential for next-generation technological applications, as their properties can be finely tuned through subtle modifications of intermolecular interactions. Weak non-covalent forces (especially hydrogen bonding) play a crucial role in dictating supramolecular organization and, consequently, magnetic behavior. Building on this concept, recent strategies have focused on integrating SCO-active metal centers into supramolecular architectures to achieve enhanced control over structure-property relationships and to develop multifunctional materials. In this context, we report the design and synthesis of a tailored ligand incorporating a pyrazolylpyridyl chelating unit alongside hydrogen-bond donor and acceptor functionalities, enabling the formation of Fe(II)-based SCO systems with rich supramolecular behavior. These ligands were employed to construct a tetrahedral host supramolecular cage composed of four Fe(II) SCO centers, capable of encapsulating tetrahalometallate anions (MX₄²⁻, M = Mn, Cu, Co, Zn; X = Cl, Br). The ligand, synthesized via a two-step Claisen condensation and cyclization route, was selected to promote both Fe-N coordination and intermolecular hydrogen bonding. The guest anions act as supramolecular templates, directing hydrogen-bond networks between ligands across different metal centers while contributing to charge balance within the assembly. Optimized layered crystallization conditions enabled the growth of high-quality single crystals, and X-ray diffraction studies at 100 K confirmed the formation of isostructural cages with Fe-N bond lengths consistent with a low-spin state in all Fe(II) centers. Beyond structural characterization, current work explores how encapsulation influences guest-specific properties, including photoluminescence in Mn-based systems, quantum coherence in Cu analogues, and single-molecule magnet behavior in Co derivatives. These results highlight the effectiveness of combining SCO activity with host-guest chemistry to generate multifunctional materials, where cooperative magnetic switching and guest-dependent physicochemical properties are synergistically modulated through adaptable supramolecular interactions
- Master thesisDeveloping an Advanced Nanotracer for Real- Time Surgical Navigation(2026-06) Sanchez Etxegarai, Iñigo; Caballero Hernández, Ana BelénAccurate sentinel lymph node (SLN) identification is essential in image-guided cancer surgery, where tracers must provide efficient lymphatic migration, sufficient nodal retention and real-time intraoperative detectability. However, small molecular dyes such as indocyanine green (ICG) can diffuse rapidly through the lymphatic system, limiting retention in the first draining node. Aimed at enhancing both sensitivity and accuracy in the optical detection of SLN during surgical navigation, human serum albumin (HSA) nanoparticles have been explored as intermediate-size carriers to improve local retention of ICG, while D-mannose functionalization was introduced as a preliminary strategy to promote interactions with mannose receptor-expressing macrophages in lymph nodes. ICG-loaded HSA nanoparticles were therefore developed as preliminary dual optical/single-photon emission computed tomography (SPECT) nanotracers for surgical navigation. Four formulations were prepared to evaluate the influence of crosslinking within the protein network and D-mannose functionalization on the physicochemical properties of the tracer. Crosslinking was identified as the main factor controlling colloidal robustness, producing more homogeneous, reproducible and stable nanoparticles than the non-crosslinked systems. Crosslinked nanoparticles yielded the most balanced radiochemical purity (≥ 95%) without compromising their co loidal stability. Mannose functionalization was achieved, although with poor yields. Overall, crosslinked ICG⊂HSA nanoparticles represent a promising intermediate-size platform for further development as dual nearinfrared (NIR) fluorescence/SPECT imaging tracers for imageguided surgical applications
- Master thesisDevelopment of Luminescent Pt(II) Supramolecular Polymers and Materials(2026-06) Ñañez Azaña, Robert Erick; Lázaro Palacios, Ariadna ; Pinto i Martínez, AndreaMolecular building blocks for the preparation of cellulose-based luminescent hybrid materials were developed through the synthesis of ethynyl-functionalized naphthalimide and naphthalic anhydride linkers, cyclometalated platinum(II) NCN complexes, and cellulose-functionalization strategies. Two ethynyl-functionalized linkers (L1 and L2), two NCN ligands (L3 and L4), and the cyclometalated platinum(II) complexes PtL3 and PtL4 were successfully synthesized and characterized. Subsequent coupling reactions afforded the luminescent monomer L1-PtL4, which exhibited a dominant phosphorescent emission centered at 490 nm together with a weak fluorescence band around 400 nm attributed to the naphthalimide fragment. The total photoluminescence quantum yield (ΦPL) increased from 3.1% in air to 29.4% under nitrogen atmosphere, while the phosphorescence lifetime (τPh) increased from 295 ns to 2.94 μs. Finally, different strategies for the functionalization of sulfonated cellulose were investigated. Direct functionalization in dimethyl sulfoxide resulted mainly in physical adsorption of the linker, whereas maleic anhydride-assisted functionalization using linker L2 afforded water-soluble cellulose derivatives whose spectroscopic characterization supports incorporation of the naphthalic derivative into the cellulose matrix
- Master thesisIridium and Cobalt Electrocatalysts Supported on Anatase TiO2 for the Oxygen Evolution Reaction(2026-06) Montes Segarra, Ainhoa; Cabot Julià, Pere-Lluís; Andreu Arbella, TeresaIr-based catalysts are widely used for the oxygen evolution reaction (OER) in acidic media; however, their high cost and limited availability motivate the development of more efficient electrocatalysts. In this work, Ir and Ir-Co nanoparticles supported on anatase TiO2 are synthesized as electrocatalysts for the OER in acidic media. Co3O4-TiO2 supports with different Co contents are prepared and structurally characterized, confirming the formation of Co3O4 without affecting the anatase TiO2 phase. Ir deposition is carried out via polyol and alkaline hydrolysis microwave-assisted methods to evaluate the influence of the synthesis medium on metal incorporation and phase evolution. Electrochemical measurements show that Co incorporation significantly influences OER performance, with moderate Co contents enhancing activity and stability, while higher loadings lead to partial performance decay under prolonged operation. The alkaline hydrolysis synthesis promotes effective Co retention and the formation of hydroxylated Ir species, which are associated with improved catalytic behaviour. The optimized Ir/TiO2-Co catalysts exhibit a favourable balance between activity and durability, outperforming Ir/TiO2 systems and highlighting their potential for proton exchange membrane water electrolysis applications, contributing to the development of more efficient and sustainable technologies for the Green Hydrogen production
- Master thesisExploiting Aurophilic Interactions in the Design of Emissive Gold Complexes(2026-06) Fabregas García, Alexis; Pinto i Martínez, Andrea; Rodríguez Raurell, LauraTwo families of dinuclear gold(I) complexes featuring aurophilic interactions were designed as precursors of emissive gold(II) species. The first family consisted of (diphosphane) (Au-chromophore)2 complexes, whereas the second comprised gem-digold(I) derivatives containing two gold centres bound to the same carbon atom. Mononuclear gold(I) aryl precursors were synthesised, characterised, and investigated photophysically. Subsequent oxidation studies using PhICl2 were undertaken to evaluate access to novel luminescent gold(II) complexes.
Master thesisDevelopment of amine-based filming corrosion inhibitors for industrial water treatment(2026-06) Pérez Becerra, Xavier; Ignés i Mullol, JordiThis study addresses the synthesis and performance validation of a novel organic corrosion inhibitor formulated with film-forming amines (FFA) for carbon steel protection in industrial water circuits. To overcome inherent solubility limitations of long-chain hydrophobic amines, the formulation matrix was stabilized using tallow amines as co-surfactants. Microstructural characterization via SEM-EDX revealed that, in the absence of treatment, iron oxide layers develop with thicknesses of up to 298 μm. In contrast, the application of the optimized FFA treatment prevents the accumulation of these corrosion products and promotes the formation of a compact protective film approximately 8 μm thick. Under high corrosive stress (Ryznar Stability Index, RSI = 15), batch testing demonstrated that the FFA formulation sustained steady-state corrosion rates below 0.30 mpy up to day 10, significantly outperforming untreated controls (> 30 mpy) and meeting NACE excellence criteria. Long-term performance verified in a pilot plant under continuous recirculation for three months yielded a mean corrosion rate of 0.153 ± 0.018 mpy, establishing the industrial feasibility and robustness of this protective inhibitor film.- Master thesisSíntesis dirigida a la mejora de las propiedades del (K,Na)NbO3(2013) Beato Merino, Raquel; Mestres i Vila, Ma. LourdesEl objetivo principal de este trabajo es la síntesis y el estudio de las propiedades de compuestos basados en K0.5Na0.5NbO3 (KNN) dopado con litio y lantano. Para llevar a cabo este objetivo principal se han establecido una serie de objetivos más específicos: Preparar una serie de compuestos basados en el KNN introduciendo diferentes proporciones litio y lantano en la posición A de la perovskita para estudiar cómo afecta este dopaje a la morfología, transición de fase y a las propiedades eléctricas del material. Observar si existe un efecto cooperativo entre el litio y el lantano, usados como dopaje, para modificar las temperaturas de transición y mejorar las propiedades piezoeléctricas. Introducir modificaciones en el procedimiento experimental con la finalidad de mejorar la densificación y evitar la aparición de fases secundarias. Valorar el efecto de las modificaciones empleadas en el método experimental en las propiedades eléctricas del material.
- Master thesisSíntesi de nanoestructures híbrides. Au-semiconductor(2013) Dalmases Solé, Mariona; Figuerola i Silvestre, AlbertEn els últims anys el camp de les nanoestructures està esdevenint un dels més estudiats arreu degut a les noves i fascinants propietats que ofereixen aquests materials, diferents de les dels materials bulk anàlegs. Les més destacables són la fluorescència observada en quantum dots (QDs) de materials semiconductors i en nanopartícules (NPs) dopades amb terres rares, les propietats superparamagnètiques que solen presentar per exemple els nanocristalls d'òxid de ferro i les propietats plasmòniques que exhibeixen generalment la majoria de NPs de metalls nobles. A més, aquestes propietats depenen de la mida i la forma de les NPs. Aquest treball es centra en dos d’aquests tipus de materials: QDs de semiconductors i NPs d’or.