[1]
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M. Assis, C. C. de Foggi, V. Teodoro, J. P. de Campos da Costa, C. E.
Silva, T. Robeldo, P. F. Caperucci, C. E. Vergani, R. C. Borra, I. Sorribes,
A. F. Gouveia, M. A. San-Miguel, J. Andrés, and E. Longo.
Surface-dependent photocatalytic and biological activities of
Ag2CrO4: Integration of experiment and simulation.
Applied Surface Science, 545:148964, 2021.
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[2]
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A. F. Gouveia, L. Gracia, E. Longo, M. A. San-Miguel, and J. Andrés.
Modulating the properties of multifunctional semiconductors
by means of morphology: Theory meets experiments.
Computational Materials Science, 188:110217, 2021.
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DOI |
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[3]
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O. M. V. M. Bueno, C. L. Herrera, C. A. Bertran, M. A. San-Miguel, and J. H.
Lopes.
An experimental and theoretical approach on stability towards
hydrolysis of triethyl phosphate and its effects on the microstructure of
sol-gel-derived bioactive silicate glass.
Materials Science and Engineering: C, 120:111759, 2021.
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DOI |
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[4]
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P.B. de Sousa, A.F. Gouveia, J.C. Sczancoski, I.C. Nogueira, E. Longo, M.A.
San-Miguel, and L.S. Cavalcante.
Electronic structure, optical and sonophotocatalytic
properties of spindle-like CaWO4 microcrystals synthesized by the
sonochemical method.
Journal of Alloys and Compounds, 855:157377, 2021.
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DOI |
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[5]
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M. M. Teixeira, A. F. Gouveia, A. G. de Sousa, L. F. da Silva, R. C. de
Oliveira, M. A. San-Miguel, M. S. Li, and E. Longo.
Unraveling the Photoluminescence Properties of the
Sr10V6O25 Structure through Experimental and Theoretical
Analyses.
The Journal of Physical Chemistry C, 124(27):14446--14458,
2020.
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arXiv |
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[6]
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M.D. Penha, A.F. Gouveia, M.M. Teixeira, R.C. de Oliveira, M. Assis, J.R.
Sambrano, F. Yokaichya, C.C. Santos, R.F. Gonçalves, M. Siu Li, M.A.
San-Miguel, J. Andrés, and E. Longo.
Structure, optical properties, and photocatalytic activity of
α-Ag2W0.75Mo0.25O4.
Materials Research Bulletin, 132:111011, 2020.
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[7]
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J. P. de Campos da Costa, M. Assis, V. Teodoro, A. Rodrigues, C. C. de Foggi,
M. A. San-Miguel, J. P. P. do Carmo, J. Andrés, and E. Longo.
Electron beam irradiation for the formation of thick Ag film
on Ag3PO4.
RSC Adv., 10:21745--21753, 2020.
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DOI |
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[8]
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G. Soffiati, J. L. Bott-Neto, V. Y. Yukuhiro, C. T. Pires, C. C. Lima, C. R.
Zanata, Y. Y. Birdja, M. T. M. Koper, M. A. San-Miguel, and P. S.
Fernández.
Electrooxidation of C4 Polyols on Platinum Single-Crystals: A
Computational and Electrochemical Study.
The Journal of Physical Chemistry C, 124(27):14745--14751,
2020.
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DOI |
arXiv |
http ]
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[9]
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F. Lipsky, L. H. Lacerda, S. R. de Lazaro, E. Longo, J. Andrés, and M. A.
San-Miguel.
Unraveling the relationship between exposed surfaces and the
photocatalytic activity of Ag3PO4: an in-depth theoretical
investigation.
RSC Adv., 10:30640--30649, 2020.
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DOI |
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[10]
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O. V. M. Bueno, J. J. Benítez, and M. A. San-Miguel.
Elucidating esterification reaction during deposition of
cutin monomers from classical molecular dynamics simulations.
Journal of Molecular Modeling, 26(10):280, Sep 2020.
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DOI |
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[11]
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O. V. M. Bueno, J. J. Benítez, and M. A. San-Miguel.
Understanding segregation processes in SAMs formed by
mixtures of hydroxylated and non-hydroxylated fatty acids.
RSC Adv., 9:39252--39263, 2019.
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DOI |
http ]
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[12]
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B. F. Zornio, E. Z. da Silva, and M. A. San-Miguel.
Exploring from ab initio calculations the structural and
electronic properties of supported metal linear atomic chains on the NiAl
(110) surface.
Theoretical Chemistry Accounts, 136(5):63, Apr 2017.
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DOI |
http ]
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[13]
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G. M. Faccin, M. A. San-Miguel, J. Andres, E. Longo, and E. Z. da Silva.
Computational Modeling for the Ag Nanoparticle Coalescence
Process: A Case of Surface Plasmon Resonance.
The Journal of Physical Chemistry C, 121(12):7030--7036, 2017.
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DOI |
arXiv |
http ]
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[14]
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J. Benítez, J. A. Heredia-Guerrero, M. A. San-Miguel, and H. C. Galloway.
Packing Defects in Fatty Amine Self-Assembled Monolayers on
Mica as Revealed from AFM Techniques.
The Journal of Physical Chemistry B, 122(2):493--499, 2018.
PMID: 28574708.
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DOI |
arXiv |
http ]
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[15]
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J. Andrés, A. F. Gouveia, L. Gracia, E. Longo, G. M. Faccin, E. Z.
da Silva, D. H. Pereira, and M. A. San‐Miguel.
Formation of Ag nanoparticles under electron beam
irradiation: Atomistic origins from first‐principles calculations.
International Journal of Quantum Chemistry, 118(9):e25551,
2016.
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DOI |
http ]
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[16]
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M. A. San-Miguel, E. Z. da Silva, S. M. Zanetti, M. Cilense, M. T. Fabbro,
L. Gracia, J. Andrés, and E. Longo.
in situ growth of ag nanoparticles on
α-ag2wo4 under electron irradiation: probing the physical
principles.
Nanotechnology, 27(22):e225703, Apr 2016.
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[17]
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W. Pereira, J. Andres, L. Gracia, M. A. San-Miguel, E. Z. da Silva, E. Longo,
and V. M. Longo.
Elucidating the real-time Ag nanoparticle growth on [small
alpha]-Ag2WO4 during electron beam irradiation: experimental evidence
and theoretical insights.
Physical Chemistry Chemical Physics, 17:5352--5359, 2015.
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DOI |
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[18]
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M. A. San-Miguel, E. P. M. Amorim, and E. Z. da Silva.
NiAl(110) Surface as a Template for Growing Transition Metal
Linear Atomic Chains: A DFT Investigation.
The Journal of Physical Chemistry C, 119(5):2456--2461, 2015.
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arXiv |
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