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Issue DateTitleAuthor(s)
7-May-2020Morphology of TiO2 nanoparticles as fingerprint for the transient absorption spectra: implications for photocatalysisMorales García, Ángel; Valero Montero, Rosendo; 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
29-Sep-2023Theoretical study of electrocatalytic properties of low-dimensional freestanding PbTiO3 for hydrogen evolution reactionsOuahrani, Tarik; Boufatah, Reda M.; Bendaoudi, Loubna; Bedrane, Zeyneb; 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
5-Jul-2023How does thickness affect magnetic coupling in Ti-based MXenesGarcía-Romeral, Néstor; Morales García, Ángel; Viñes Solana, Francesc; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
4-Mar-2022Effect of the sulfur termination on the properties of Hf2CO2 MXeneOugherb, Chewki; Ouahrani, Tarik; Badawi, Michael; Morales García, Ángel
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
1-Dec-2022MXenes à la Carte: Tailoring the Epitaxial Growth Alternating Nitrogen and Transition Metal LayersGouveia, J.D.; Morales García, Ángel; Viñes Solana, Francesc; Gomes, J.R.B.; Illas i Riera, Francesc