Facultat de Química: Recent submissions
Now showing items 1-20 of 120
A Multiscale Approach to Unravelling the Structure and Infrared Spectra of Astronomically Relevant Nanosilicates
[eng] Silicates are ubiquitously found both terrestrially and throughout the universe where they are often found as small particles. In the interstellar medium (ISM), these particles undergo high-energy processes that cause ...
Electronic Structure Engineering for Enhanced Additive Performance in Robust Sulfur Cathodes
[eng] The doctoral thesis was authored by PhD candidate Chen Huang at the Catalonia Institute for Energy research (IREC) between 2022 and 2025, with funding provided by the China Scholarship Council. The thesis primarily ...
Understanding the role of incidental nanoparticle properties as determinants of industrial workplace exposures
[eng] The dynamic nature of nanoparticles (NPs), marked by continuous transformations in their physical and chemical properties, makes NPs distinct from other pollutants. Although these particles do not contribute significantly ...
Selective scintillation resins for radioactivity analysis: From extractant development to method application
[eng] The present PhD thesis focuses on developing innovative strategies for the fast, accurate, reliable, and environmentally friendly determination of radionuclides. This has included developing new scintillating materials ...
A Multifaceted Computational Study of the Structural, Energetic, and Electronic Properties of Titania Nanostructures
[eng] The devastating climatic and environmental effects of burning fossil fuels are now firmly established, emphasizing the urgent need for reliable and renewable energy sources. One promising alternative is hydrogen, ...
Evaluación de recursos secundarios como aditivos compensadores de la retracción del hormigón en masa
[spa] La presente tesis doctoral surge a partir del proyecto de Doctorado Industrial (2019 DI 00089), llevado a cabo entre la empresa RIMSA Metal Technology S.L.(RIMSA) y el grupo de investigación Disseny i Optimització ...
Development of photoswitchable compounds for the modulation of neuronal activity
[eng] One of the major challenges in nanotechnology and pharmacology is ensuring that drugs act precisely where and when they are needed, maximizing therapeutic effects while reducing side effects. In addition to traditional ...
New ORR electrocatalysts and Cu-based MOFs for advanced treatment of pharmaceuticals by electro-Fenton process at near-neutral pH
[eng] Global water crisis has compelled the search for unconventional wàter resources to meet growing demands. Wastewater, being abundant and easily accessible, is increasingly recognized as resource with great added ...
Anaerobic co-digestion of agri-industrial waste for energy and agricultural valorization purposes
[eng] Anaerobic codigestion (AcoD) is the anaerobic degradation of two or more substrates with complementary properties. It is a waste treatment and recovery alternative that has shown better results than anaerobic digestion ...
Deposition Strategies for New Applications of Cold Spray Additive Manufacturing
[eng] The potential of CSAM has attracted the attention from the scientific community due to its advantages over other heat-focused AM methods, such as solid-state deposition, high deposition rates, ability to deposit ...
Computational Study on the Application of Two-Dimensional Materials in Heterogeneous Catalysis
[eng] Currently, global fossil fuel consumption is increasing, environmental problems are be- coming serious, new clean energy technologies are being actively explored. High-performance catalytic materials play a crucial ...
Computational modeling of inverting glycosyltransferase reaction mechanisms
[eng] Carbohydrates, often referred to as sugars, are essential biomolecules found in all living organisms. While they are well-known for their role in providing energy, carbohydrates also play critical roles in various ...
Presència, seguiment i impacte de microplàstics en aigües naturals i de consum
[cat] La presència de microplàstics a les aigües s’ha convertit en els darrers anys en un assumpte d’interès per a les autoritats i la ciutadania, i representa una preocupació creixent a escala mundial. Els microplàstics ...
Quorum Sensing as Potential Biomarker Targets to Diagnose Bacterial Infections
[eng] Pseudomonas aeruginosa is a Gram-negative bacterium that causes infections in individuals with weakened immune systems, such as those with cystic fibrosis. This opportunistic pathogen is common in infections acquired ...
Electrochemical Conversion of Biomass-derived Chemical: Benzaldehyde
[eng] Developing advanced and efficient electrocatalytic energy conversion systems is of great and practical significance for propelling the efficient development of clean energy for the construction of new low-carbon power ...
Noves estratègies analítiques per a la determinació de contaminants orgànics en ocells
[cat] Aquesta Tesi s’ha centrat en l’ús de les aus marines i les rapinyaires com a espècies bioindicadores de contaminants orgànics ja que els acumulen a través de la dieta als seus teixits interns. S’han desenvolupat ...
Computational modelling of 2D carbon-based materials with tunable electronic properties
[eng] Organic semiconductors are versatile functional materials that are increasingly used in commercial electronic devices. However, their use in high performance applications is limited due to their low charge/spin carrier ...
Light control in active nematics
[eng] Living systems are composed of large number of active units that convert local chemical energy into motion. These active systems can be observed across scales, ranging from human crowds to cell cytoskeleton. The ...
Micro and nanoplastics in the environment: development of mass- quantitative analytical methodologies for the global impact assessment
[eng] Micro- and nanoplastics (MNPLs) are considered contaminants of emerging concern (CECs) due to their demetrial environmental and human health effects already reported in recent bibliography and because of current ...
First principles evaluation of structure and properties of multifunctional materials
[eng] Organic chemistry is recognized for its ability to arrange a limited set of atoms in numerous ways, a quality that is crucial in molecular magnetism. This branch benefits from the adaptability of organic chemistry ...
