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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
Mar-2020
Elucidating structure–property relationships in aluminum alloy corrosion inhibitors by machine learning
Galvão, Tiago L. P.
;
Novell-Leruth, Gerard
;
Kuznetsova, Alena
;
Tedim, João
;
Gomes, José R. B.
article
7-Mar-2021
Unravelling moisture-induced CO2 chemisorption mechanisms in amine-modified sorbents at the molecular scale
Sardo, Mariana
;
Afonso, Rui
;
Juźków, Joanna
;
Pacheco, Marlene
;
Bordonhos, Marta
;
Pinto, Moisés L.
;
Gomes, José R. B.
;
Mafra, Luís
article
Oct-2020
Mesoscale model of the synthesis of periodic mesoporous benzene-silica
Gouveia, José D.
;
Pérez-Sánchez, Germán
;
Santos, Sérgio M.
;
Carvalho, André P.
;
Gomes, José R. B.
;
Jorge, Miguel
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
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
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
2020
Novel insights into biomass delignification with acidic deep eutectic solvents: a mechanistic study of β-O-4 ether bond cleavage and the role of the halide counterion in the catalytic performance
Lopes, André Miguel da Costa
;
Gomes, José R. B.
;
Coutinho, João A. P.
;
Silvestre, Armando J. D.
article
2020
Unveiling the local structure of 2-mercaptobenzothiazole intercalated in (Zn2Al) layered double hydroxides
Novell-Leruth, Gerard
;
Pérez-Sánchez, Germán
;
Galvão, Tiago L. P.
;
Boiba, Dziyana
;
Poznyak, Syargei
;
Carneiro, Jorge
;
Tedim, João
;
Gomes, José 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
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Author
13
Gouveia, José D.
8
Illas, Francesc
8
Viñes, Francesc
6
Galvão, Tiago L. P.
6
Tedim, João
5
Coutinho, João A. P.
5
Jorge, Miguel
5
Novell-Leruth, Gerard
5
Pérez-Sánchez, Germán
4
Ferreira, Olga
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Subject
5
Density functional theory
4
2D materials
4
Adsorption
4
Molecular dynamics
2
Biosensors
2
Carbides
2
Clean MXenes
2
Layered double hydroxides
2
Machine Learning
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MXenes
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Date issued
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2023
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2022
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2021
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2020