Browsing by Author Morales García, Ángel
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| Issue Date | Title | Author(s) |
|---|---|---|
| 1-Dec-2021 | Adsorption and Activation of CO2 on Nitride MXenes: Composition, Temperature, and Pressure effects | Jurado, Anabel; Ibarra, Kevin; Morales García, Ángel; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 9-Aug-2017 | An empirical, yet practical way to predict the band gap in solids by using density functional band structure calculations | Morales García, Ángel; Valero Montero, Rosendo; Illas i Riera, Francesc |
| 20-Oct-2022 | An unconstrained approach to systematic structural and energetic screening of materials interfaces | Liberto, Giovanni Di; Morales García, Ángel; Bromley, Stefan Thomas |
| Jul-2020 | Carbide MXenes Surface Tension Effect on CO2 Capture | Dolz Garcia, Daniel |
| 3-Sep-2021 | Carbon Capture and Usage by MXenes | Morales-Salvador, Raul; Gouveia, José D.; Morales García, Ángel; Viñes Solana, Francesc; Gomes, José R.B.; Illas i Riera, Francesc |
| 11-Aug-2022 | Carbon-doped anatase titania nanoparticles: similarities and differences with respect to bulk and extended surface models | Remesal, Elena R.; Morales García, Ángel |
| 6-Apr-2022 | Challenges of modeling nanostructured materials for photocatalytic water splitting | Samanta, 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 |
| 28-Feb-2018 | CO2 abatement using two-dimensional MXene carbides | Morales García, Ángel; Fernández Fernández, Adrián; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 15-Mar-2022 | Effect of oxygen termination on the interaction of first row transition metals with M2C MXenes and the feasibility of single-atom catalysts | Keyhanian, Masoomeh; Farmanzadeh, David; Morales García, Ángel; Illas i Riera, Francesc |
| 4-Mar-2022 | Effect of the sulfur termination on the properties of Hf2CO2 MXene | Ougherb, Chewki; Ouahrani, Tarik; Badawi, Michael; Morales García, Ángel |
| 9-Jan-2025 | Effect of the Ti2CTx (Tx = O, OH, and H) Functionalization on the Formation of (TiO2)5/Ti2CTx Composites | García-Romeral, Néstor; Morales García, Ángel; Viñes Solana, Francesc |
| 8-Aug-2023 | Electronic and electrocatalytic properties of PbTiO3: unveiling the effect of strain and oxygen vacancy | Bendaoudi, L.; Ouahrani, T.; Daouli, A.; Rerbal, B.; Boufatah, R. M.; Morales García, Ángel; Franco, R.; Bedrane, Z.; Badawi, M.; Errandonea, D. |
| 1-Sep-2019 | Electronic properties of realistic anatase TiO2 nanoparticles from G(0)W(0) calculations on a Gaussian and plane waves scheme | Morales García, Ángel; Valero Montero, Rosendo; Illas i Riera, Francesc |
| 7-Aug-2024 | Erratum: Correction: The nature of the electronic ground state of M2C (M = Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W) MXenes (Physical chemistry chemical physics : PCCP (2023) 25 45 DOI: 10.1039/d3cp04402e) | García-Romeral, Néstor; Morales García, Ángel; Viñes Solana, Francesc; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
| 1-Feb-2024 | Estimating Nonradiative Excited-State Lifetimes in Photoactive Semiconducting Nanostructures | Valero Montero, Rosendo; Morales García, Ángel; Illas i Riera, Francesc |
| 7-Jan-2021 | Exfoliation Energy as a Descriptor of MXenes Synthesizability and Surface Chemical Activity | Dolz Garcia, Daniel; Morales García, Ángel; Viñes Solana, Francesc; Illas i Riera, Francesc |
| 3-Apr-2020 | Facile heterogeneously catalyzed nitrogen rixation by MXenes | Gouveia, José D.; Morales García, Ángel; Viñes Solana, Francesc; Gomes, José R. B.; Illas i Riera, Francesc |
| 5-Jul-2023 | How does thickness affect magnetic coupling in Ti-based MXenes | García-Romeral, Néstor; Morales García, Ángel; Viñes Solana, Francesc; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc |
| 3-Jan-2020 | Investigating the character of excited states in TiO2 nanoparticles from topological descriptors: implications for photocatalysis | Valero Montero, Rosendo; Morales García, Ángel; Illas i Riera, Francesc |
| 22-Jul-2024 | Janus ScYCBr2 MXene as a Promising Thermoelectric Material | Ould-Mohamed, Mounir; Ouahrani, Tarik; Boufatah, Reda M.; Morales García, Ángel; Franco, Ruth; Badawi, Michael; Errandonea, Daniel |