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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
Jan-2020
MXenes as promising catalysts for water dissociation
Gouveia, José Daniel
;
Gomes, José R. B.
;
Illas, Francesc
;
Viñes, Francesc
;
Morales-García, Ángel
article
23-Jul-2022
The determining role of Tx species in the catalytic potential of MXenes: Water adsorption and dissociation on Mo2CTx
Gouveia, José D.
;
Gomes, José R. B.
article
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Author
3
Gouveia, José D.
3
Illas, Francesc
3
Viñes, Francesc
2
Novell-Leruth, Gerard
1
Gouveia, José Daniel
1
Morales-García, Ángel
1
Reis, Pedro M. L. S.
Subject
3
Density functional theory
2
Adsorption
2
Biosensors
2
Carbides
2
Periodic models
2
Water gas shift reaction
1
Amino acid
1
Clean MXenes
1
Density Functional Theory
1
Nitrides
.
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Date issued
1
2022
1
2021
2
2020