Browsing by Author Morales García, Ángel
Showing results 1 to 20 of 31
next >
| 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 |
| 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-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 |
| 7-May-2020 | Morphology of TiO2 nanoparticles as fingerprint for the transient absorption spectra: implications for photocatalysis | Morales García, Ángel; Valero Montero, Rosendo; Illas i Riera, Francesc |
| 16-Sep-2019 | MXenes as promising catalysts for water dissociation | Gouveia, José D.; Morales García, Ángel; Viñes Solana, Francesc; Illas i Riera, Francesc; Gomes, José R. B. |
| Jun-2020 | On the C(1s) core level binding energy calculations of MXene carbides. A theoretical approach | García-Romeral González, Néstor Mauricio |
| 1-Aug-2017 | Performance of the G(0)W(0) method in predicting the electronic gap of TiO2 nanoparticles | Morales García, Ángel; Valero Montero, Rosendo; Illas i Riera, Francesc |
| 1-Feb-2018 | Properties of single oxygen vacancies on a realistic (TiO2)(84) nanoparticle: a challenge for density functionals | Morales García, Ángel; Lamiel Garcia, Josep Oriol; Valero Montero, Rosendo; Illas i Riera, Francesc |