Showing results 27 to 34 of 34
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| Issue Date | Title | Author(s) |
| 6-Feb-2022 | Theoretical calculations of the effect of nitrogen substitution on the structural, vibrational, and electronic properties of wolframite-type ScTaO4 at ambient conditions | Karaouzène, Lotfi I.; Ouahrani, Tarik; Morales García, Ángel; Errandonea, Daniel |
| 16-Jul-2018 | Theoretical modeling of electronic excitations of gas-phase and solvated TiO2 nanoclusters and nanoparticles of interest in photocatalysis | Valero Montero, Rosendo; Morales García, Ángel; Illas i Riera, Francesc |
| 29-Sep-2023 | Theoretical study of electrocatalytic properties of low-dimensional freestanding PbTiO3 for hydrogen evolution reactions | Ouahrani, Tarik; Boufatah, Reda M.; Bendaoudi, Loubna; Bedrane, Zeyneb; Morales García, Ángel; Errandonea, Daniel |
| 1-Dec-2021 | Thermodynamics and Kinetics of Molecular Hydrogen Adsorption and Dissociation on MXenes: Relevance to Heterogeneously Catalyzed Hydrogenation Reactions | López, Martí; Morales García, Ángel; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 7-Nov-2019 | Thickness biased capture of CO2 on carbide MXenes | Morales García, Ángel; Mayans-Llorach, Marc; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 2023 | Toward a Rigorous Theoretical Description of Photocatalysis Using Realistic Models | Morales García, Ángel; Viñes Solana, Francesc; Sousa Romero, Carmen; Illas i Riera, Francesc |
| 25-May-2018 | Two-dimensional nitrides as highly efficient potential candidates for CO2 capture and activation | Morales-Salvador, Raul; Morales García, Ángel; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 14-Apr-2019 | Understanding the interplay between size, morphology and energy gap in photoactive TiO2 nanoparticles | Morales García, Ángel; Macià Escatllar, Antoni; Illas i Riera, Francesc; Bromley, Stefan Thomas |
