| Multiscale Study of the Mechanism of Catalytic CO2 Hydrogenation: Role of the Ni(111) Facets P Lozano-Reis, H Prats, P Gamallo, F Illas, R Sayos ACS Catalysis 10 (15), 8077-8089, 2020 | 51 | 2020 |
| Assessing the Activity of Ni Clusters Supported on TiC(001) toward CO2 and H2 Dissociation P Lozano-Reis, H Prats, R Sayós, JA Rodriguez, F Illas The Journal of Physical Chemistry C 125 (22), 12019-12027, 2021 | 17 | 2021 |
| Structural, electronic, and magnetic properties of Ni nanoparticles supported on the TiC (001) surface P Lozano-Reis, R Sayós, JA Rodriguez, F Illas Physical Chemistry Chemical Physics 22 (45), 26145-26154, 2020 | 10 | 2020 |
| Limitations of free energy diagrams to predict the catalytic activity: The reverse water gas shift reaction catalyzed by Ni/TiC P Lozano-Reis, H Prats, R Sayós, F Illas Journal of Catalysis 425, 203-211, 2023 | 5 | 2023 |
| Comprehensive Density Functional and Kinetic Monte Carlo Study of CO2 Hydrogenation on a Well-Defined Ni/CeO2 Model Catalyst: Role of Eley–Rideal Reactions P Lozano-Reis, P Gamallo, R Sayós, F Illas ACS catalysis 14, 2284-2299, 2024 | | 2024 |
| Multiscale modelling of CO2 hydrogenation reactions on Ni-based catalysts P Lozano Reis Universitat de Barcelona, 2023 | | 2023 |
| Assessing the Activity of Ni Clusters Supported on TiC (001) toward CO₂ and H₂ Dissociation P Lozano-Reis, H Prats, R Sayós, JA Rodriguez, F Illas | | 2021 |
| Understanding the Reverse Water Gas Shift Reaction over Mo2C MXene Catalyst: A Holistic Computational Analysis D Dolz, R De Armas, P Lozano-Reis, Á Morales-García, F Viñes, R Sayós, ... ChemCatChem, e202400122, 0 | | |
| When Coverage is Key: The Lowest (Free) Energy Reaction Pathway Does Not Always Properly Predict the Evolution of Heterogeneously Catalyzed Reactions P Lozano-Reis, H Prats, R Sayós, F Illas Available at SSRN 4395335, 0 | | |
