Francesc Illas
Universidad de Barcelona
H-index: 91
Europe-Spain
Top articles of Francesc Illas
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Comprehensive Density Functional and Kinetic Monte Carlo Study of CO2 Hydrogenation on a Well-Defined Ni/CeO2 Model Catalyst: Role of Eley–Rideal Reactions | ACS catalysis | Pablo Lozano-Reis Pablo Gamallo Ramón Sayós Francesc Illas | 2024/1/30 |
Gas-phase errors in computational electrocatalysis: a review | Ricardo Urrego-Ortiz Santiago Builes Francesc Illas Federico Calle-Vallejo | 2024 | |
Theoretical Prediction of Core-Level Binding Energies: Analysis of Unexpected Errors | The Journal of Physical Chemistry A | Carmen Sousa Paul S Bagus Francesc Illas | 2024/1/25 |
Understanding the Chemical Bond in Semiconductor/MXene Composites: TiO2 Clusters Anchored on the Ti2C MXene Surface | Chemistry A European Journal | Néstor García-Romeral Masoomeh Keyhanian Ángel Morales-García Francesc Viñes Francesc Illas | 2024/1/22 |
MXenes as Electrocatalysts for the CO2 Reduction Reaction: Recent Advances and Future Challenges | Ling Meng Ebrahim Tayyebi Kai S Exner Francesc Viñes Francesc Illas | 2024/1/12 | |
Electrostatic Gating of Phosphorene Polymorphs | The Journal of Physical Chemistry C | Fereshteh Mahmoodpouri Malayee Robabeh Bagheri Fariba Nazari Francesc Illas | 2024/2/9 |
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 |
Computationally Screening Non-Precious Single Atom Catalysts for Oxygen Reduction in Alkaline Media | Catalysis Today | Tahereh Jangjooye Shaldehi Ling Meng Soosan Rowshanzamir Mohammad Javad Parnian Kai Exner | 2024/2/3 |
EES Catalysis | Ricardo Urrego-Ortiz Santiago Builes Francesc Illas Federico Calle-Vallejo | 2024 | |
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 |
Surface Termination Dependent Carbon Dioxide Reduction Reaction on Ti 3 C 2 MXene | Journal of Materials Chemistry A | Ling Meng Li-Kai Yan Francesc Viñes Francesc Illas | 2024 |
Effect of terminations on the hydrogen evolution reaction mechanism on Ti 3 C 2 MXene | Journal of Materials Chemistry A | Ling Meng Li-Kai Yan Francesc Viñes 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 |
Evaluating Adsorbate–Solvent Interactions: Are Dispersion Corrections Necessary? | The Journal of Physical Chemistry C | Eleonora Romeo Francesc Illas Federico Calle-Vallejo | 2023/5/19 |
Limitations of free energy diagrams to predict the catalytic activity: The reverse water gas shift reaction catalyzed by Ni/TiC | Journal of Catalysis | Pablo Lozano-Reis Hector Prats Ramón Sayós Francesc Illas | 2023/9/1 |
Crystal properties without crystallinity? Influence of surface hydroxylation on the structure and properties of small TiO 2 nanoparticles | Nanoscale | Miguel Recio-Poo Ángel Morales-García Francesc Illas Stefan T Bromley | 2023 |
Artificial Neural Network-Derived Unified Six-Dimensional Potential Energy Surface for Tetra Atomic Isomers of the Biogenic [H, C, N, O] System | Journal of Chemical Theory and Computation | Fatemeh Arab Fariba Nazari Francesc Illas | 2023/2/3 |
Theoretical study of the mechanism of the hydrogen evolution reaction on the V2C MXene: Thermodynamic and kinetic aspects | Journal of Catalysis | Martí López Kai S Exner Francesc Viñes Francesc Illas | 2023/5/1 |
C1 Chemistry on Metal Carbide Nanoparticles: Boosting the Conversion of CO2 and CH4 | The Journal of Physical Chemistry C | José A Rodriguez Carlos Jimenez-Orozco Elizabeth Flórez Francesc Viñes Francesc Illas | 2023/8/21 |
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 |
Co-Authors
