José Daniel Lago da Silva Neves Gouveia

Assistant Researcher

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Department

  • Physics

Research

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Daniela Filipa das Neves Abreu

Research Fellowship

Joana Rita Simões Figueiredo

Research Fellowship

Projects

Hydrogen production via formic acid decomposition using MXenes (HydroForMX)

CoordinatorFundação para a Ciência e a Tecnologia
To combat global warming and consequent climate changes, there is an urgent need for nearly carbon-neutral forms of energy production and storage. The hydrogen (H2) economy is very promising and is expected to dominate energy systems soon. Formic acid (HCOOH) is a renewable, non flammable and non toxic H2 carrier with high volumetric ca...

MImicking NItrogenase-inspired catalysis ON Sulfur-terminated mxenes (MINIONS)

PartnerFundação para a Ciência e a Tecnologia
Ammonia (NH3) is a crucial chemical feedstock, widely used in fertilizers and industrial applications, and has recently gained attention as a potential hydrogen carrier [https://doi.org/10.1088/2515-7655/ac0d9f]. However, its large-scale production remains heavily reliant on the Haber-Bosch process (HBP) using Fe-supported catalysts, an energy-i...

MXenes catalysts for the water gas shift reaction (ForTheShift)

PartnerFundação para a Ciência e a Tecnologia
The ForTheShift project aims to put in place a computational framework to analyze the potential of a new family of two-dimensional (2D) carbides, nitrides, and carbonitrides, with general formula Mn+1XnTx (M is an early transition metal, n=1-5, X is C and/or N, and T are surface terminations as oxo, hydroxy, and/or fluoro groups), the so-called ...

Structural, energetic and catalytic properties of vacancy defects in MXene surfaces (2021.09799.CPCA)

PartnerFundação para a Ciência e a Tecnologia
MXenes are two-dimensional (2D) materials made up of a few (n+1) layers of atoms of an early transition metal element (M) intercalated by n layers of carbon or nitrogen (X). The metallic layers are very reactive and the MXene becomes terminated by a T layer whose composition depends on the synthesis method (usually T=O or F). MXenes display high...

Publications

First-principles and machine-learning approaches for interpreting and predicting the properties of MXenes

Gouveia, JD; Galvao, TLP; Nassar, KI; Gomes, JRB
2025, NPJ 2D MATERIALS AND APPLICATIONS, 9, 1.

Defect-Engineered Ca-TiO2 Nanomaterials for Enhanced Adsorption and Photocatalytic Degradation of Water Pollutants on Sustainable Cellulose Membranes

Matias, ML; Gaspar, D; Carvalho, D; Pimentel, A; Pereira, L; Machado, ASR; Rodrigues, J; Monteiro, T; Gouveia, JD; Carvalho, PA; Deuermeier, J; Martins, R; Fortunato, E; Nunes, D
2025, ADVANCED SUSTAINABLE SYSTEMS, 9, 10.

Zn2GeO4:Cr,Mn phosphor for visible to NIR luminescence-based applications - a theoretical and experimental investigation

Batista, MS; Dias, MP; Candeias, MB; Marques, G; Gouveia, JD; Girao, AV; Costa, FM; Leitao, JP; Rino, L; Deuermeier, J; Fortunato, E; Martins, R; Pimentel, A; Rodrigues, J; Monteiro, T; Pereira, SO
2025, JOURNAL OF MATERIALS CHEMISTRY C, 13, 39.

Unravelling the UV luminescence of Bi-doped LiYGeO4: a journey from first principles to temperature-dependent photoluminescence

Proença, I; Gouveia, JD; Girao, AV; Peres, M; Mateus, R; Alves, LC; Esteves, DM; Rodrigues, AL; Dias, MI; Lorenz, K; Rino, L; Costa, FM; Monteiro, T; Rodrigues, J
2025, JOURNAL OF MATERIALS CHEMISTRY C, 13, 26, 13167-13183.

The role of oxygen in the synthesis of the Mo2CTx MXene from the Mo2Ga2C MAX phase

Gouveia, JD; Gomes, JRB
2025, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 27, 35, 18760-18769.

Predicting Adsorption Energies on MXene Surfaces Using Machine Learning to Enhance Catalyst Design for the Water-Gas Shift Reaction

Nassar, KI; Galvao, TLP; Gouveia, JD; Gomes, JRB
2025, JOURNAL OF PHYSICAL CHEMISTRY C, 129, 5, 2512-2524.

Inducing Electrical Pathways on Nb2O5 Ceramics through Laser Surface Modification

Gomes, HB; Gouveia, JD; Fernandes, AJ; Soares, MR; Costa, FM; Ferreira, NM
2025, CRYSTAL GROWTH & DESIGN.

Structural and electronic properties of the titanium carbide MXene with variable sublattice oxygen composition

Gouveia, JD; Gomes, JRB
2024, SURFACES AND INTERFACES, 46.

Cu-doped polymeric carbon nitrides: structural and electronic properties and sensitivity to flue gas

Gouveia, JD; Gomes, JRB
2024, SURFACES AND INTERFACES, 46.

Amplified sensing of nitrogen dioxide with a phosphate-doped reduced graphene oxide powder

Hasanov, BE; Casanova-Chafer, J; Deokar, G; Gouveia, JD; Nematulloev, S; Gomes, JRB; Llobet, E; Costa, PMFJ
2024, CARBON, 226.
ISBN: 1873-3891

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