Showing results 25 to 35 of 35
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Issue Date | Title | Author(s) |
Jan-2022 | Single-Atom Catalysts Based on O-Functionalized MXenes | Buturca, Maria Andreea |
Jan-2021 | Single-Atoms Catalysts based on MXenes | Pibernat Cabañas, Sara |
3-Dec-2022 | Structural and Electronic Properties of Metal/Oxide Nanostructures from First-Principles: Ru13 Supported on (TiO2)84 as a Case Study | Allès, Miquel; Remesal, Elena R.; Illas i Riera, Francesc; Morales García, Ángel |
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 |