Ángel Morales-García
Universidad de Barcelona
H-index: 26
Europe-Spain
Top articles of Ángel Morales-García
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Tuning electronic levels in photoactive hydroxylated titania nanosystems: combining the ligand dipole effect and quantum confinement | Nanoscale | Miguel Recio Ángel Morales-García Francesc Illas Stefan T. Bromley | 2024/4/2 |
Understanding the Reverse Water Gas Shift Reaction over Mo2C MXene Catalyst: A Holistic Computational Analysis | ChemCatChem | Daniel Dolz Raul De Armas Pablo Lozano-Reis Ángel Morales-García Francesc Viñes | 2024/2/23 |
Estimating Nonradiative Excited-State Lifetimes in Photoactive Semiconducting Nanostructures | The Journal of Physical Chemistry C | Rosendo Valero Ángel Morales-García Francesc Illas | 2024/2/1 |
Understanding the Chemical Bond in Semiconductor/MXene Composites: TiO2 Clusters Anchored on theTi2C MXene Surface | Chemistry A European Journal | Néstor García-Romeral Masoomeh Keyhanian Ángel Morales-García Francesc Viñes Francesc Illas | 2024/1/22 |
Role of N Doping in the Reduction of Titania Nanostructures | The Journal of Physical Chemistry C | Elena R Remesal Ángel Morales-García Francesc Illas | 2023/10/2 |
Theoretical study of electrocatalytic properties of low-dimensional freestanding PbTiO3 for hydrogen evolution reactions | Physical Chemistry Chemical Physics | Tarik Ouahrani Boufatah Reda Loubna Bendaoud Zeyneb Bedrane Ángel Morales-García | 2023/9/29 |
Crystal properties without crystallinity? Influence of surface hydroxylation on the structure and properties of small TiO2 nanoparticles | Nanoscale | Miguel Recio-Poo Ángel Morales-García Francesc Illas Stefan T Bromley | 2023 |
Toward a Rigorous Theoretical Description of Photocatalysis Using Realistic Models | Ángel Morales-García Francesc Viñes Carmen Sousa Francesc Illas | 2023/4/12 | |
Electronic and electrocatalytic properties of PbTiO3: Unveiling the effect of strain and oxygen vacancy | Dalton Transactions | Loubna Bendaoud Taarik Ouahrani Ayoub Daouli Ben Rerbal Boufatah Reda | 2023/8/8 |
How Does Thickness Affect Magnetic Coupling on Ti-Based MXenes | Physical Chemistry Chemical Physics | Néstor García-Romeral Ángel Morales-García Francesc Viñes Ibério de PR Moreira Francesc Illas | 2023 |
Theoretical Analysis of Magnetic Coupling in the Ti2C Bare MXene | The Journal of Physical Chemistry C | Néstor García-Romeral Ángel Morales-García Francesc Vines Iberio de PR Moreira Francesc Illas | 2023/2/14 |
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 | Néstor García-Romeral Ángel Morales-García Francesc Viñes Ibério de P. R. Moreira Francesc Illas | 2023/11/6 |
Effect of intrinsic point defects on the catalytic and electronic properties of Cu 2 WS 4 single-layer: Ab initio calculations | Physical Review Materials | Tarik Ouahrani R. M. Boufatah M. Benaissa Ángel Morales-García Michael Badawi | 2023/2/8 |
Effect of Oxygen Termination on the Interaction of First Row Transition Metals with M2C MXenes and the Feasibility of Single-Atom Catalysts | Journal of Materials Chemistry A | Masoomeh Keyhanian Davood Farmanzadeh Ángel Morales-García Francesc Illas | 2022 |
Carbon-doped anatase titania nanoparticles: similarities and differences with respect to bulk and extended surface models | Physical Chemistry Chemical Physics | Elena R. Remesal Ángel Morales-García | 2022/8/11 |
Effect of the sulfur termination on the properties of Hf2CO2 MXene | Physical Chemistry Chemical Physics | Chewki Ougherb Tarik Ouahrani Michael Badawi Ángel Morales-García | 2022/3/4 |
MXenes à la Carte: Tailoring the Epitaxial Growth Altering Nitrogen and Transition Metal Layers | ACS Nano | José D. Gouveia Ángel Morales-García Francesc Viñes José R. B. Gomes Illas Francesc | 2022/7/22 |
Theoretical calculations of the effect of nitrogen substitution on the structural, vibrational,and electronic properties of wolframite-type ScTaO4 at ambient conditions | Dalton Transactions | Lofti Karaouzène Tarik Ouahrani Ángel Morales-García Daniel Errandonea | 2022/2/8 |
Understanding the thermodynamic, dynamic, bonding, and electrocatalytic properties of low-dimensional MgPSe3 | Dalton Transactions | Tarik Ouahrani Ayoub Daouli Michael Badawi Loubna Bendaoudi Ángel Morales-García | 2022/6/4 |
Molecular Mechanism and Microkinetic Analysis of the Reverse Water Gas Shift Reaction Heterogeneously Catalyzed by the Mo2C MXene | ACS Catalysis | Anabel Jurado Ángel Morales-García Francesc Vines Francesc Illas | 2022/12/6 |
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