Published articles:

    [1] 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. [ bib | DOI | http ]
    [2] 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. [ bib | DOI | http ]
    [3] 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. [ bib | DOI | http ]
    [4] 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. [ bib | DOI | http ]
    [5] 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. [ bib | DOI | arXiv | http ]
    [6] 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. [ bib | DOI | http ]
    [7] 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. [ bib | DOI | http ]
    [8] 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. [ bib | DOI | arXiv | http ]
    [9] 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. [ bib | DOI | http ]
    [10] 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. [ bib | DOI | http ]
    [11] 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. [ bib | DOI | http ]
    [12] 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. [ bib | DOI | http ]
    [13] 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. [ bib | DOI | arXiv | http ]
    [14] 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. [ bib | DOI | arXiv | http ]
    [15] 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. [ bib | DOI | http ]
    [16] 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. [ bib ]
    [17] 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. [ bib | DOI | http ]
    [18] 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. [ bib | DOI | arXiv | http ]



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