J. R. B. Gomes

Layered double hydroxides for corrosion-related applications - Main developments from 20 years of research at CICECO
J. Tedim, T. L. P. Galvão, K. Yasakau, A. C. Bastos, José R. B. Gomes, M. G. Ferreira
Front. Chem., 10 (2022) 1048313. [open access]

Molecular Dynamics Model to Explore the Initial Stages of Anion-Exchange involving Layer Double Hydroxide Particles
G. Novell-Leruth, A. Kuznetsova, J. Tedim, José R. B. Gomes, T. L. P. Galvão
Nanomaterials, 12 (2022) 4039. [open access]

Diffusivities of linear unsaturated ketones and aldehydes in compressed liquid ethanol
B. Zêzere, S. Buchgeister, S. Faria, I. Portugal, José R. B. Gomes, C. M. Silva
J. Mol. Liquids, 367 (2022) 120480. [link]

Transition metal atom adsorption on the titanium carbide MXene: Trends across the periodic table for the bare and O-terminated surfaces
H. Rocha, J. D. Gouveia, José R. B. Gomes
Phys. Rev. Mater., 6 (2022) 105801. [link]

Modeling Tracer Diffusion Coefficients of Any Type of Solutes in Polar and Non-Polar Dense Solvents
B. Zêzere, I. Portugal, José R. B. Gomes, C. M. Silva
Materials, 15 (2022) 6416. [open access]

Surface and trapping energies as predictors for the photocatalytic degradation of aromatic organic pollutants
S. Dudziak, M. Kowalkinska, J. Karczewski, M. Pisarek, J. D. Gouveia, José R. B. Gomes, A. Zielinska-Jurek
J. Phys. Chem. C, 126 (2022) 14859. [link]

MXenes à la Carte: Tailoring the Epitaxial Growth Alternating Nitrogen and Transition Metal Layers
J. D. Gouveia, Á. Morales-García, F. Viñes, José R. B. Gomes, F. Illas
ACS Nano, 16 (2022) 12541. [open access]

CORDATA: An Open Data Management Web Application to Select Corrosion Inhibitors
T. L. P. Galvão, I. Ferreira, A. Kuznetsova, G. Novell-Leruth, C. Song, C. Feiler, S. Lamaka, C. Rocha, F. Maia, M. Zheludkevich, José R. B. Gomes, J. Tedim
npj Mater. Degrad., 6 (2022) 48. [open access]

Solubilities of Amino Acids in Aqueous Solutions of Chloride or Nitrate Salts of Divalent (Mg²⁺ or Ca²⁺) Cations
M. Aliyeva, P. Brandão, José R. B. Gomes, J. A. P. Coutinho, O. Ferreira, S. P. Pinho
J. Chem. Eng. Data, 67 (2002) 1565. [link]

Moisture effect on the separation of CO₂/CH₄ mixtures with amine-functionalised porous silicas
M. Pacheco, M. Bordonhos, M. Sardo, R. Afonso, José R. B. Gomes, L. Mafra, M. L. Pinto
Chem. Eng. J., 443 (2022) 136271. [open access]

The Dipole Moment of Alcohols in the Liquid Phase and in Solution
M. Jorge, José R. B. Gomes, M. C. Barrera
J. Mol. Liquids, 356 (2022) 119033. [open access]

Electrolyte Effects on the Amino Acid Solubility in Water: Solubilities of Glycine, L-Leucine, L-Phenylalanine, and L-Aspartic Acid in Salt Solutions of (Na⁺, K⁺, NH₄⁺)/(Cl^-, NO₃^-)
M. Aliyeva, P. Brandão, José R. B. Gomes, J. A. P. Coutinho, O. Ferreira, S. P. Pinho
Ind. Eng. Chem. Res., 61 (2022) 5620. [link]

Structural and energetic properties of vacancy defects in MXene surfaces
J. D. Gouveia, José R. B. Gomes
Phys. Rev. Mater., 6 (2022) 024004. [link]

Sticky-MARTINI: A Reactive Coarse-Grained Model for Molecular Dynamics Simulations of Silica Polymerization
A. P. Carvalho, S. M. Santos, G. Pérez-Sánchez, J. D. Gouveia, José R. B. Gomes, M. Jorge
npj Comput. Mater., 8 (2022) 49. [open access]

Being positive is not everything - experimental and computational studies on the selectivity of a self-assembled, multiple redox-state, receptor that binds anions with up to picomolar affinities
A. Zubi, H. A Alnafisah, S. Turega, I. Marques, José R. B. Gomes, J. A. Thomas, V. Félix
Chem. Eur. J., 28 (2022) e20210246. [link]

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