Universitat de Barcelona
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Política d’accés obert a la UB
Publicacions en accés obert derivades de l'activitat investigadora del professorat de la Universitat de Barcelona.
The use of small organic molecules has become one of the most popular strategies in computer-aided drug design (CADD) to facilitate the identification of potential drug-like compounds in the early stages of drug development. ...
This work exploits terahertz (THz) imaging in the real-space and the spatial-frequency domain to determine nondestructively the evolution of the main characteristics of a woven glass-fiber reinforced polymer laminate in ...
Terahertz (THz) spectroscopy is used to measure permittivity (100 GHz-2.5 THz) of ZnO and CuO powders with low fill factor pressed into pellets in a polyethylene binder. We show that porosity (air) of such pressed pellets ...
Microplastic pollution has become a primary global concern in the 21st century. Recyclable magnetic particles with micro-nanostructures are considered an efficient and economical way to remove microplastics from water. In ...
Hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), the two concurrent reactions for the electrolytic production of green H2, require low-cost and sustainable electrocatalysts for their scale-up, as for ...
The energetically most favorable chemical ordering of bimetallic nanoparticles can be characterized by combining global optimization algorithms and surrogate energy models. The latter approximate the energy of nanoalloys ...
Kinetic studies are vital for gathering mechanistic insights into heterogeneously catalyzed hydrogenation of unsaturated organic compounds (olefins), where the Horiuti–Polanyi mechanism is ubiquitous on metal catalysts. ...
3D printing has emerged as a transformative technology in several manufacturing processes, being of particular interest in biomedical research for allowing the creation of 3D structures that mimic native tissues. The process ...
In this research, a life cycle inventory (LCI) is developed for tungsten carbide–cobalt (WC-Co) coatings deposited via atmospheric plasma spray (APS), high-velocity oxy-fuel (HVOF), and cold gas spray (CGS) techniques. For ...
Compartir ideas. La universidad va al instituto es un proyecto de aprendizaje servicio transversal de la Universidad de Barcelona. Este representa una propuesta de aprendizaje servicio que bajo una estructura común permite ...
Es tracta d'un Notebook de Mathematica (Versió 7.0.0) i pot ser executat en qualsevol ordinador que tingui aquest paquet instal·lat. Els conjunts de dades adjunts estan en fitxers en format csv. // L'accés al codi no estarà ...
Postmortem tests were performed over components removed from the TES-PS10 pilot plant after almost four years of continuous operation being exposed to solar salts under representative commercial operation conditions. ...
The performance of three electrochemical advanced oxidation processes, namely electro-oxidation with electrogenerated H2O2 (EO-H2O2), electro-Fenton (EF) and photoelectro-Fenton (PEF) for the treatment of aqueous solutions ...
We use Langmuir-Blodgett molecular monolayers and nematic liquid crystals as model two-and three-dimensional orientationally ordered systems to study the stability and healing of topological defects at their contact ...
The chemical oxygen demand (COD) is a widely used parameter to evaluate the quality of water for industrial applications. Currently, the standardized method for COD analysis employs expensive and harmful reagents that ...
In this work, magnetic copper ferrite nanoparticles are synthesized by polymer-assisted sol−gel and coprecipitation methods. The obtained purity and particle size reach values of 96% and 94 nm, respectively. Evident ...
Using a relativistic all-electron description and numerical atomic-centered orbital basis set, the performance of the G(0)W(0) method on the electronic band gap of (TiO2) nanoparticles (n = 1-20) is investigated. Results ...
Fréedericksz transition under twist deformation in a nematic layer is discussed when the magnetic field has a random component. A dynamical model which includes the thermal fluctuations of the system is presented. The ...
Air-breathing gas-diffusion electrodes (GDEs) eliminating energy-intensive aeration hold great promise for industrial-scale hydrogen peroxide electrosynthesis. However, this configuration suffers from limited O2 mass ...
We report two new analytical fits of the ground potential energy surface (PES) (2A') and the first excited PES (4A') involved into the title reaction and its reverse, using ab initio electronic structure calculations from ...
