Projects
Publications
MXene-supported transition metal single-atom catalysts for nitrogen dissociation
Gouveia, JD; Rocha, H; Gomes, JRB
2023, MOLECULAR CATALYSIS, 547.
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Effect of the surface termination on the adsorption of flue gas by the titanium carbide MXene
Gouveia, JD; Gomes, JRB
2023, MATERIALS TODAY CHEMISTRY, 29.
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The determining role of Tx species in the catalytic potential of MXenes: Water adsorption and dissociation on Mo2CTx
Gouveia, JD; Gomes, JRB
2023, CATALYSIS TODAY, 424.
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Multiscale Computational Approaches toward the Understanding of Materials
Bordonhos, M; Galvao, TLP; Gomes, JRB; Gouveia, JD; Jorge, M; Lourenço, MAO; Pereira, JM; Pérez-Sánchez, G; Pinto, ML; Silva, CM; Tedim, J; Zêzere, B
2023, ADVANCED THEORY AND SIMULATIONS, 6, 10.
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MXenes a la Carte: Tailoring the Epitaxial Growth Alternating Nitrogen and Transition Metal Layers
Gouveia, JD; Morales-Garcia, A; Vines, F; Gomes, JRB; Illas, F
2022, ACS NANO, 16, 8, 12541-12552.
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Structural and energetic properties of vacancy defects in MXene surfaces
Gouveia, JD; Gomes, JRB
2022, PHYSICAL REVIEW MATERIALS, 6, 2.
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Surface and Trapping Energies as Predictors for the Photocatalytic Degradation of Aromatic Organic Pollutants
Dudziak, S; Kowalkinska, M; Karczewski, J; Pisarek, M; Gouveia, JD; Gomes, JRB; Zielinska-Jurek, A
2022, JOURNAL OF PHYSICAL CHEMISTRY C, 126, 35, 14859-14877.
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Transition metal atom adsorption on the titanium carbide MXene: Trends across the periodic table for the bare and O-terminated surfaces
Rocha, H; Gouveia, JD; Gomes, JRB
2022, PHYSICAL REVIEW MATERIALS, 6, 10.
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Catalytic reactions for H-2 production on multimetallic surfaces: a review
Afonso, RV; Gouveia, JD; Gomes, JRB
2021, JOURNAL OF PHYSICS-ENERGY, 3, 3.
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Carbon Capture and Usage by MXenes
Morales-Salvador, R; Gouveia, JD; Morales-Garcia, A; Vines, F; Gomes, JRB; Illas, F
2021, ACS CATALYSIS, 11, 17, 11248-11255.
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