| MXenes as promising catalysts for water dissociation JD Gouveia, Á Morales-García, F Vines, F Illas, JRB Gomes Applied Catalysis B: Environmental 260, 118191, 2020 | 106 | 2020 |
| Facile heterogeneously catalyzed nitrogen fixation by MXenes JD Gouveia, A Morales-Garcia, F Vines, JRB Gomes, F Illas ACS Catalysis 10 (9), 5049-5056, 2020 | 72 | 2020 |
| Origami rules for the construction of localized eigenstates of the Hubbard model in decorated lattices RG Dias, JD Gouveia Scientific reports 5 (1), 16852, 2015 | 52 | 2015 |
| MXenes atomic layer stacking phase transitions and their chemical activity consequences JD Gouveia, F Viñes, F Illas, JRB Gomes Physical Review Materials 4 (5), 054003, 2020 | 47 | 2020 |
| First-principles calculations on the adsorption behavior of amino acids on a titanium carbide MXene JD Gouveia, G Novell-Leruth, PMLS Reis, F Viñes, F Illas, JRB Gomes ACS Applied Bio Materials 3 (9), 5913-5921, 2020 | 42 | 2020 |
| Carbon capture and usage by MXenes R Morales-Salvador, JD Gouveia, A Morales-Garcia, F Vines, JRB Gomes, ... ACS Catalysis 11 (17), 11248-11255, 2021 | 40 | 2021 |
| The Ti2CO2 MXene as a nucleobase 2D sensor: A first-principles study JD Gouveia, G Novell-Leruth, F Viñes, F Illas, JRB Gomes Applied Surface Science 544, 148946, 2021 | 35 | 2021 |
| Magnetic phase diagram of the Hubbard model in the Lieb lattice JD Gouveia, RG Dias Journal of Magnetism and Magnetic Materials 382, 312-317, 2015 | 24 | 2015 |
| Can we rely on hybrid-DFT energies of solid-state problems with local-DFT geometries? JD Gouveia, J Coutinho Electronic Structure 1 (1), 015008, 2019 | 18 | 2019 |
| M-center in 4H-SiC: Isothermal DLTS and first principles modeling studies I Capan, T Brodar, R Bernat, Ž Pastuović, T Makino, T Ohshima, ... Journal of applied physics 130 (12), 2021 | 17 | 2021 |
| Structural and energetic properties of vacancy defects in MXene surfaces JD Gouveia, JRB Gomes Physical Review Materials 6 (2), 024004, 2022 | 16 | 2022 |
| Surface-enhanced raman scattering due to a synergistic effect on ZnS and graphene oxide JL Lopes, S Fateixa, AC Estrada, JD Gouveia, JRB Gomes, T Trindade The Journal of Physical Chemistry C 124 (23), 12742-12751, 2020 | 16 | 2020 |
| Spin and charge density waves in the Lieb lattice JD Gouveia, RG Dias Journal of Magnetism and Magnetic Materials 405, 292-303, 2016 | 16 | 2016 |
| Catalytic reactions for H2 production on multimetallic surfaces: a review RV Afonso, JD Gouveia, JRB Gomes Journal of Physics: Energy 3 (3), 032016, 2021 | 14 | 2021 |
| Primeiros resultados da selecção da variedade de oliveira Cobrançosa A Martins, L Santos, J Lopes, J Gouveia Revista de Ciencias Agrarias (Portugal), 1998 | 13 | 1998 |
| M center in 4H-SiC is a carbon self-interstitial J Coutinho, JD Gouveia, T Makino, T Ohshima, Ž Pastuović, L Bakrač, ... Physical Review B 103 (18), L180102, 2021 | 12 | 2021 |
| The determining role of Tx species in the catalytic potential of MXenes: Water adsorption and dissociation on Mo2CTx JD Gouveia, JRB Gomes Catalysis Today 424, 113848, 2023 | 10 | 2023 |
| Effect of the surface termination on the adsorption of flue gas by the titanium carbide MXene JD Gouveia, JRB Gomes Materials Today Chemistry 29, 101441, 2023 | 10 | 2023 |
| Sticky-MARTINI as a reactive coarse-grained model for molecular dynamics simulations of silica polymerization AP Carvalho, SM Santos, G Pérez-Sánchez, JD Gouveia, JRB Gomes, ... npj Computational Materials 8 (1), 49, 2022 | 8 | 2022 |
| Surface and trapping energies as predictors for the photocatalytic degradation of aromatic organic pollutants S Dudziak, M Kowalkinska, J Karczewski, M Pisarek, JD Gouveia, ... The Journal of Physical Chemistry C 126 (35), 14859-14877, 2022 | 7 | 2022 |
