| Issue Date | Title | Author(s) | Type | Access Type |
| 2013 | Accounting for van der Waals interactions between adsorbates and surfaces in density functional theory based calculations: selected examples | Prates Ramalho, Joao P.; Gomes, Jose R. B.; Illas, Francesc | article |  |
| 24-Aug-2021 | Carbon capture and usage by MXenes | Morales-Salvador, Raul; Gouveia, José D.; Morales-García, Ángel; Viñes, Francesc; Gomes, José R. B.; Illas, Francesc | article | |
| Aug-2021 | Concepts, models, and methods in computational heterogeneous catalysis illustrated through CO2 conversion | Morales‐García, Ángel; Viñes, Francesc; Gomes, José R. B.; Illas, Francesc | article | |
| 2016 | Effect of the Exchange-Correlation Potential on the Transferability of Bronsted-Evans-Polanyi Relationships in Heterogeneous Catalysis | Fajin, Jose L. C.; Vines, Francesc; Cordeiro, M. Natalia D. S.; Illas, Francesc; Gomes, Jose R. B. | article |  |
| 1-May-2020 | Facile heterogeneously catalyzed nitrogen fixation by MXenes | Gouveia, José D.; Morales-García, Ángel; Viñes, Francesc; Gomes, José R. B.; Illas, Francesc | article | |
| 21-Sep-2020 | First-principles calculations on the adsorption behavior of amino acids on a titanium carbide MXene | Gouveia, José D.; Novell-Leruth, Gerard; Reis, Pedro M. L. S.; Viñes, Francesc; Illas, Francesc; Gomes, José R. B. | article | |
| 2014 | Generalized Bronsted-Evans-Polanyi relationships and descriptors for O-H bond cleavage of organic molecules on transition metal surfaces | Fajin, Jose L. C.; Cordeiro, M. Natalia D. S.; Illas, Francesc; Gomes, Jose R. B. | article | |
| Jan-2020 | MXenes as promising catalysts for water dissociation | Gouveia, José Daniel; Gomes, José R. B.; Illas, Francesc; Viñes, Francesc; Morales-García, Ángel | article | |
| May-2020 | MXenes atomic layer stacking phase transitions and their chemical activity consequences | Gouveia, José D.; Viñes, Francesc; Illas, Francesc; Gomes, José R. B. | article | |
| 23-Aug-2022 | MXenes à la Carte: Tailoring the Epitaxial Growth Alternating Nitrogen and Transition Metal Layers | Gouveia, José D.; Morales-García, Ángel; Viñes, Francesc; Gomes, José R. B.; Illas, Francesc | article |  |
| 1-Apr-2021 | The Ti2CO2 MXene as a nucleobase 2D sensor: a first-principles study | Gouveia, José D.; Novell-Leruth, Gerard; Viñes, Francesc; Illas, Francesc; Gomes, José R. B. | article | |
| 2014 | Understanding the reactivity of metallic nanoparticles: beyond the extended surface model for catalysis | Vines, Francesc; Gomes, Jose R. B.; Illas, Francesc | article | |