1. Dipòsit Digital de la Universitat de Barcelona

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Issue DateTitleAuthor(s)
11-Mar-2022Nanostructuring determines poisoning: Tailoring CO adsorption on PtCu bimetallic nanoparticles.Vega Dominguez, Lorena; García Cardona, Julia; Viñes Solana, Francesc; Cabot Julià, Pere-Lluís; Neyman, Konstantin M.
19-Jan-2022Low-Valent Titanium Species Stabilized with Aluminum/Boron Hydride FragmentsDel Horno, Estefanía; Jover Modrego, Jesús; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos
2022Quantifying interactions on interfaces between metal partic¬les and oxide supports in catalytic nanomaterialsNeyman, Konstantin M.; Kozlov, Sergey
15-Mar-2022Effect of oxygen termination on the interaction of first row transition metals with M2C MXenes and the feasibility of single-atom catalystsKeyhanian, Masoomeh; Farmanzadeh, David; Morales García, Ángel; Illas i Riera, Francesc
6-Apr-2022Challenges of modeling nanostructured materials for photocatalytic water splittingSamanta, Bipasa; Morales García, Ángel; Illas i Riera, Francesc; Goga, Nicolae; Anta, Juan Antonio; Calero, Sofia; Beberle-Hütter, Anja; Libisch, Florian; Muñoz-García, Ana B.; Pavone, Michele; Caspary Toroker, Maytal
6-Feb-2022Theoretical calculations of the effect of nitrogen substitution on the structural, vibrational, and electronic properties of wolframite-type ScTaO4 at ambient conditionsKaraouzène, Lotfi I.; Ouahrani, Tarik; Morales García, Ángel; Errandonea, Daniel
11-Aug-2022Carbon-doped anatase titania nanoparticles: similarities and differences with respect to bulk and extended surface modelsRemesal, Elena R.; Morales García, Ángel
20-Jan-2022Artificial-intelligence-driven discovery of catalyst genes with application to CO2 activation on semiconductor oxidesMazheika, Aliaksei; Wang, Yang-Gang; Valero Montero, Rosendo; Viñes Solana, Francesc; Illas i Riera, Francesc; Ghiringelli, Luca M.; Levchenko, Sergey V.; Scheffler, Matthias
17-Jan-2022From Simple Alkenes and CO2 to Fluorinated Carboxylic Acids: Computational Studies and PredictionsEcheverría, Jorge; Jover Modrego, Jesús
2022Stability of oxidized states of free-standing and ceria-supported PtOx particlesQuinlivan Domínguez, Jon E.; Neyman, Konstantin M.; Bruix, Albert

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