Ángel Morales-García (Á Morales-García)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 41

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. C, Nanomaterials and interfaces

The journal of physical chemistry letters

Nanoscale

University of Barcelona

Universidad Complutense de Madrid (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Barcelona Apr 01 2019

Spain

Juan de la Cierva - Incorporación Reseracher :: Materials Science and Physical Chemistry

Universitat de Barcelona Jan 01 2017 - Feb 05 2019

Spain

Juan de la Cierva - Formación Researcher :: Department of Material Science and Physical Chemistry

Charles University in Prague Sep 01 2014 - Dec 31 2016

Czechia

Associate Professor :: Physical and Macromolecular Chemistry Department

Universidad Complutense de Madrid

Spain

Predoctoral Researcher :: Physical Chemistry I Department

Education History

Universidad Complutense de Madrid

Spain

PHD :: Physical Chemistry I Department

Publications

Miguel Recio-Poo, Ángel Morales-García, Francesc Illas, Stefan T Bromley
Size-Dependent Ab Initio Atomistic Thermodynamics from Cluster to Bulk: Application to Hydration of Titania Nanoparticles. The journal of physical chemistry letters 15 (32) (2024)
Mounir Ould-Mohamed, Tarik Ouahrani, Reda Boufatah, Ángel Morales-García, Ruth Franco, Michaël Badawi, Daniel Errandonea
Janus ScYCBr 2 MXene as a Promising Thermoelectric Material. ACS applied energy materials 7 (15) (2024)
Miguel Recio-Poo, Ángel Morales-García, Francesc Illas, Stefan T Bromley
Size-Dependent Ab Initio Atomistic Thermodynamics from Cluster to Bulk: Application to Hydration of Titania Nanoparticles. The journal of physical chemistry letters (2024)
Rosendo Valero, Ángel Morales-García, Francesc Illas
Estimating Nonradiative Excited-State Lifetimes in Photoactive Semiconducting Nanostructures. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (6) (2024)
Miguel Recio-Poo, Ángel Morales-García, Francesc Illas, Stefan T Bromley
Tuning electronic levels in photoactive hydroxylated titania nanosystems: combining the ligand dipole effect and quantum confinement. Nanoscale (2024)
Mounir Ould-Mohamed, Tarik Ouahrani, Reda Boufatah, Ángel Morales-García, Ruth Franco, Michaël Badawi, Daniel Errandonea
Janus ScYCBr 2 MXene as a Promising Thermoelectric Material. ACS applied energy materials 7 (15) (2024)
Miguel Recio-Poo, Ángel Morales-García, Francesc Illas, Stefan T Bromley
Size-Dependent Ab Initio Atomistic Thermodynamics from Cluster to Bulk: Application to Hydration of Titania Nanoparticles. The journal of physical chemistry letters 15 (32) (2024)
Mounir Ould-Mohamed, Tarik Ouahrani, Reda Boufatah, Ángel Morales-García, Ruth Franco, Michaël Badawi, Daniel Errandonea
Janus ScYCBr 2 MXene as a Promising Thermoelectric Material. ACS applied energy materials 7 (15) (2024)
Miguel Recio-Poo, Ángel Morales-García, Francesc Illas, Stefan T Bromley
Tuning electronic levels in photoactive hydroxylated titania nanosystems: combining the ligand dipole effect and quantum confinement. Nanoscale 16 (18) (2024)
Miguel Recio-Poo, Ángel Morales-García, Francesc Illas, Stefan T Bromley
Size-Dependent Ab Initio Atomistic Thermodynamics from Cluster to Bulk: Application to Hydration of Titania Nanoparticles. The journal of physical chemistry letters 15 (32) (2024)
Rosendo Valero, Ángel Morales-García, Francesc Illas
Estimating Nonradiative Excited-State Lifetimes in Photoactive Semiconducting Nanostructures. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (6) (2024)
Masoomeh Keyhanian, Néstor García-Romeral, Ángel Morales-García, Francesc Viñes, Francesc Illas
First principles modeling of composites involving TiO 2 clusters supported on M 2 C MXenes. Physical chemistry chemical physics : PCCP (2024)
Miguel Recio-Poo, Ángel Morales-García, Francesc Illas, Stefan T Bromley
Crystal properties without crystallinity? Influence of surface hydroxylation on the structure and properties of small TiO 2 nanoparticles. Nanoscale 15 (10) (2023)
Néstor García-Romeral, Ángel Morales-García, Francesc Viñes, Iberio de P R Moreira, Francesc Illas
Theoretical Analysis of Magnetic Coupling in the Ti 2 C Bare MXene. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (7) (2023)
L Bendaoudi, Tarik Ouahrani, Ayoub Daouli, Benali Rerbal, Boufatah M Reda, Ángel Morales-García, R Franco, Z Bedrane, Michaël Badawi, Daniel Errandonea
Electronic and electrocatalytic properties of PbTiO 3 : unveiling the effect of strain and oxygen vacancy. Dalton transactions (Cambridge, England : 2003) (2023)
Néstor García-Romeral, Ángel Morales-García, Francesc Viñes, Iberio de P R Moreira, Francesc Illas
The nature of the electronic ground state of M 2 C (M = Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W) MXenes. Physical chemistry chemical physics : PCCP (2023)
Ángel Morales-García, Francesc Viñes, Carmen Sousa, Francesc Illas
Toward a Rigorous Theoretical Description of Photocatalysis Using Realistic Models. The journal of physical chemistry letters (2023)
Miguel Recio-Poo, Ángel Morales-García, Francesc Illas, Stefan T Bromley
Crystal properties without crystallinity? Influence of surface hydroxylation on the structure and properties of small TiO 2 nanoparticles. Nanoscale (2023)
Néstor García-Romeral, Ángel Morales-García, Francesc Viñes, Iberio de P R Moreira, Francesc Illas
Theoretical Analysis of Magnetic Coupling in the Ti 2 C Bare MXene. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (7) (2023)
Néstor García-Romeral, Ángel Morales-García, Francesc Viñes, Iberio de P R Moreira, Francesc Illas
How does thickness affect magnetic coupling in Ti-based MXenes. Physical chemistry chemical physics : PCCP (2023)
Miguel Recio-Poo, Ángel Morales-García, Francesc Illas, Stefan T Bromley
Crystal properties without crystallinity? Influence of surface hydroxylation on the structure and properties of small TiO 2 nanoparticles. Nanoscale 15 (10) (2023)
Tarik Ouahrani, Boufatah M Reda, Loubna Bendaoudi, Zeyneb Bedrane, Ángel Morales-García, Daniel Errandonea
Theoretical study of electrocatalytic properties of low-dimensional freestanding PbTiO 3 for hydrogen evolution reactions. Physical chemistry chemical physics : PCCP (2023)
Elena R Remesal, Ángel Morales-García, Francesc Illas
Role of N Doping in the Reduction of Titania Nanostructures. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (40) (2023)
Elena R Remesal, Ángel Morales-García
Carbon-doped anatase titania nanoparticles: similarities and differences with respect to bulk and extended surface models. Physical chemistry chemical physics : PCCP 24 (35) (2022)
Chewki Ougherb, Tarik Ouahrani, Michaël Badawi, Ángel Morales-García
Effect of the sulfur termination on the properties of Hf 2 CO 2 MXene. Physical chemistry chemical physics : PCCP 24 (12) (2022)
José D Gouveia, Ángel Morales-García, Francesc Viñes, José R B Gomes, Francesc Illas
MXenes à la Carte : Tailoring the Epitaxial Growth Alternating Nitrogen and Transition Metal Layers. ACS nano 16 (8) (2022)
Giovanni Di Liberto, Ángel Morales-García, Stefan T Bromley
An unconstrained approach to systematic structural and energetic screening of materials interfaces. Nature communications 13 (1) (2022)
Lotfi Ibrahim Karaouzène, Tarik Ouahrani, Ángel Morales-García, Daniel Errandonea
Theoretical calculations of the effect of nitrogen substitution on the structural, vibrational, and electronic properties of wolframite-type ScTaO 4 at ambient conditions. Dalton transactions (Cambridge, England : 2003) 51 (9) (2022)
Bipasa Samanta, Ángel Morales-García, Francesc Illas, Nicolae Goga, Juan Antonio Anta, Sofia Calero, Anja Bieberle-Hütter, Florian Libisch, Ana Belén Muñoz-García, Michele Pavone, Maytal Caspary Toroker
Challenges of modeling nanostructured materials for photocatalytic water splitting. Chemical Society reviews 51 (9) (2022)
Tarik Ouahrani, Ayoub Daouli, Michaël Badawi, Loubna Bendaoudi, Ángel Morales-García, Daniel Errandonea
Understanding the thermodynamic, dynamic, bonding, and electrocatalytic properties of low-dimensional MgPSe 3 . Dalton transactions (Cambridge, England : 2003) 51 (25) (2022)
Adrián Andrada-Chacón, Ángel Morales-García, Miguel A Salvadó, Pilar Pertierra, Ruth Franco, Gastón Garbarino, Mercedes Taravillo, José A Barreda-Argüeso, Jesús González, Valentín García Baonza, Jose Manuel Recio, Javier Sánchez-Benitez
Pressure-Driven Metallization in Hafnium Diselenide. Inorganic chemistry 60 (3) (2021)
Valentin Diez-Cabanes, Ángel Morales-García, Francesc Illas, Mariachiara Pastore
Understanding the Structural and Electronic Properties of Photoactive Tungsten Oxide Nanoparticles from Density Functional Theory and GW Approaches. Journal of chemical theory and computation 17 (6) (2021)
Amina Bouheddadj, Tarik Ouahrani, Wilfried G Kanhounnon, Boufatah M Reda, Sumeya Bedrane, Michaël Badawi, Ángel Morales-García
Low-dimensional HfS2 as SO2 adsorbent and gas sensor: effect of water and sulfur vacancies. Physical chemistry chemical physics : PCCP 23 (41) (2021)
Néstor García-Romeral, Masoomeh Keyhanian, Ángel Morales-García, Francesc Illas
Relating X-ray photoelectron spectroscopy data to chemical bonding in MXenes. Nanoscale advances 3 (10) (2021)
Anabel Jurado, Ángel Morales-García, Francesc Viñes, Francesc Illas
Identifying the Atomic Layer Stacking of Mo 2 C MXene by Probe Molecule Adsorption. The journal of physical chemistry. C, Nanomaterials and interfaces 125 (48) (2021)
Valentin Diez Cabanes, Ángel Morales-García, Francesc Illas, Mariachiara Pastore
Tuning the Interfacial Energetics in WO3/WO3 and WO3/TiO2 Heterojunctions by Nanostructure Morphological Engineering. The journal of physical chemistry letters 12 (47) (2021)
Anabel Jurado, Kevin Ibarra, Ángel Morales-García, Francesc Viñes, Francesc Illas
Adsorption and Activation of CO2 on Nitride MXenes: Composition, Temperature, and Pressure effects. Chemphyschem : a European journal of chemical physics and physical chemistry 22 (23) (2021)
Zhengwen Cao, Yun Xu, Pengbo Lyu, Michael Dierks, Ángel Morales-García, Wolfgang Schrader, Petr Nachtigall, Ferdi Schüth
Flexibilization of Biorefineries: Tuning Lignin Hydrogenation by Hydrogen Partial Pressure. ChemSusChem 14 (1) (2020)
Rosendo Valero, Ángel Morales-García, Francesc Illas
Investigating the character of excited states in TiO2 nanoparticles from topological descriptors: implications for photocatalysis. Physical chemistry chemical physics : PCCP 22 (5) (2020)
Ángel Morales-García, Rosendo Valero, Francesc Illas
Electronic Properties of Realistic Anatase TiO2 Nanoparticles from G0W0 Calculations on a Gaussian and Plane Waves Scheme. Journal of chemical theory and computation 15 (9) (2019)
Rosendo Valero, Ángel Morales-García, Francesc Illas
Theoretical Modeling of Electronic Excitations of Gas-Phase and Solvated TiO2 Nanoclusters and Nanoparticles of Interest in Photocatalysis. Journal of chemical theory and computation 14 (8) (2018)

Ángel Morales-García.css-eqlu8i{font-size:small;padding-left:4px;} (Á Morales-García)

Publication Activity (10 Years)

Top Topics

Top Venues

Ángel Morales-García (Á Morales-García)