@article{ASSIS2021,
title = {\textbf{Surface-dependent photocatalytic and biological activities of Ag2CrO4: Integration of experiment and simulation}},
journal = {Applied Surface Science},
volume = {545},
pages = {148964},
year = {2021},
issn = {0169-4332},
doi = {https://doi.org/10.1016/j.apsusc.2021.148964},
url = {https://www.sciencedirect.com/science/article/pii/S0169433221000404},
author = {M. Assis and C. C. {de Foggi} and V. Teodoro and J. P. {de Campos da Costa} and C. E. Silva and T. Robeldo and P. F. Caperucci and C. E. Vergani and R. C. Borra and I. Sorribes and A. F. Gouveia and M. A. San-Miguel and J. Andrés and E. Longo}
}
@article{GOUVEIA2021,
title = {\textbf{Modulating the properties of multifunctional semiconductors by means of morphology: Theory meets experiments}},
journal = {Computational Materials Science},
volume = {188},
pages = {110217},
year = {2021},
issn = {0927-0256},
doi = {https://doi.org/10.1016/j.commatsci.2020.110217},
url = {https://www.sciencedirect.com/science/article/pii/S0927025620307084},
author = {A. F. Gouveia and L. Gracia and E. Longo and M. A. San-Miguel and J. Andrés}
}
@article{BUENO2021,
title = {\textbf{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}},
journal = {Materials Science and Engineering: C},
volume = {120},
pages = {111759},
year = {2021},
issn = {0928-4931},
doi = {https://doi.org/10.1016/j.msec.2020.111759},
url = {https://www.sciencedirect.com/science/article/pii/S092849312033678X},
author = {O. M. V. M. Bueno and C. L. Herrera and C. A. Bertran and M. A. San-Miguel and J. H. Lopes}
}
@article{deSousa2021,
title = {\textbf{Electronic structure, optical and sonophotocatalytic properties of spindle-like CaWO$_4$ microcrystals synthesized by the sonochemical method}},
journal = {Journal of Alloys and Compounds},
volume = {855},
pages = {157377},
year = {2021},
issn = {0925--8388},
doi = {https://doi.org/10.1016/j.jallcom.2020.157377},
url = {http://www.sciencedirect.com/science/article/pii/S0925838820337415},
author = {P.B. {de Sousa} and A.F. Gouveia and J.C. Sczancoski and I.C. Nogueira and E. Longo and M.A. San-Miguel and L.S. Cavalcante}
}
@article{Teixeira2020,
author = {M. M. Teixeira and A. F. Gouveia and A. G. {de Sousa} and L. F. {da Silva} and R. C. {de Oliveira} and M. A. San-Miguel and M. S. Li and E. Longo},
title = {\textbf{Unraveling the Photoluminescence Properties of the Sr$_{10}$V$_6$O$_{25}$ Structure through Experimental and Theoretical Analyses}},
journal = {The Journal of Physical Chemistry C},
volume = {124},
number = {27},
pages = {14446--14458},
year = {2020},
doi = {10.1021/acs.jpcc.0c02768},
url = {https://doi.org/10.1021/acs.jpcc.0c02768},
eprint = {https://doi.org/10.1021/acs.jpcc.0c02768}
}
@article{Penha2020,
title = {\textbf{Structure, optical properties, and photocatalytic activity of $\alpha$-Ag$_2$W$_{0.75}$Mo$_{0.25}$O$_4$}},
journal = {Materials Research Bulletin},
volume = {132},
pages = {111011},
year = {2020},
issn = {0025--5408},
doi = {https://doi.org/10.1016/j.materresbull.2020.111011},
url = {http://www.sciencedirect.com/science/article/pii/S0025540820314926},
author = {M.D. Penha and A.F. Gouveia and M.M. Teixeira and R.C. {de Oliveira} and M. Assis and J.R. Sambrano and F. Yokaichya and C.C. Santos and R.F. Gon{\c{c}}alves and M. {Siu Li} and M.A. San-Miguel and J. Andr\'{e}s and E. Longo}
}
@article{Paulo2020,
author = {J. P. de Campos da Costa and M. Assis and V. Teodoro and A. Rodrigues and C. C. de Foggi and M. A. San-Miguel and J. P. P. do Carmo and J. Andr\'{e}s and E. Longo},
title = {\textbf{Electron beam irradiation for the formation of thick Ag film on Ag$_3$PO$_4$}},
journal = {RSC Adv.},
year = {2020},
volume = {10},
issue = {37},
pages = {21745--21753},
publisher = {The Royal Society of Chemistry},
doi = {10.1039/D0RA03179H},
url = {http://dx.doi.org/10.1039/D0RA03179H}
}
@article{Soffiati2020,
author = {G. Soffiati and J. L. Bott-Neto and V. Y. Yukuhiro and C. T. Pires and C. C. Lima and C. R. Zanata and Y. Y. Birdja and M. T. M. Koper and M. A. San-Miguel and P. S. Fern\'{a}ndez},
title = {\textbf{Electrooxidation of C4 Polyols on Platinum Single-Crystals: A Computational and Electrochemical Study}},
journal = {The Journal of Physical Chemistry C},
volume = {124},
number = {27},
pages = {14745-14751},
year = {2020},
doi = {10.1021/acs.jpcc.0c05017},
url = {https://doi.org/10.1021/acs.jpcc.0c05017},
eprint = {https://doi.org/10.1021/acs.jpcc.0c05017}
}
@article{Lipsky2020,
author = {F. Lipsky and L. H. Lacerda and S. R. de Lazaro and E. Longo and J. Andr\'{e}s and M. A. San-Miguel},
title = {\textbf{Unraveling the relationship between exposed surfaces and the photocatalytic activity of Ag$_3$PO$_4$: an in-depth theoretical investigation}},
journal = {RSC Adv.},
year = {2020},
volume = {10},
issue = {51},
pages = {30640--30649},
publisher = {The Royal Society of Chemistry},
doi = {10.1039/D0RA06045C},
url = {http://dx.doi.org/10.1039/D0RA06045C}
}
@article{Bueno2020,
author = {O. V. M. Bueno and J. J. Ben{\'i}tez and M. A. San-Miguel},
title = {\textbf{Elucidating esterification reaction during deposition of cutin monomers from classical molecular dynamics simulations}},
journal = {Journal of Molecular Modeling},
year = {2020},
month = {Sep},
day = {24},
volume = {26},
number = {10},
pages = {280},
issn = {0948-5023},
doi = {10.1007/s00894-020-04544-9},
url = {https://doi.org/10.1007/s00894-020-04544-9}
}
@article{Bueno2019,
author = {O. V. M. Bueno and J. J. Ben\'{i}tez and M. A. San-Miguel},
title = {\textbf{Understanding segregation processes in SAMs formed by mixtures of hydroxylated and non-hydroxylated fatty acids}},
journal = {RSC Adv.},
year = {2019},
volume = {9},
issue = {67},
pages = {39252--39263},
publisher = {The Royal Society of Chemistry},
doi = {10.1039/C9RA06799J},
url = {http://dx.doi.org/10.1039/C9RA06799J}
}
@article{Zornio2017,
author = {B. F. Zornio and E. Z. da Silva and M. A. San-Miguel},
title = {\textbf{Exploring from ab initio calculations the structural and electronic properties of supported metal linear atomic chains on the NiAl (110) surface}},
journal = {Theoretical Chemistry Accounts},
year = {2017},
month = {Apr},
day = {21},
volume = {136},
number = {5},
pages = {63},
issn = {1432--2234},
doi = {10.1007/s00214-017-2092-0},
url = {https://doi.org/10.1007/s00214-017-2092-0}
}
@article{Faccin2017,
author = {G. M. Faccin and M. A. San-Miguel and J. Andres and E. Longo and E. Z. da Silva},
title = {\textbf{Computational Modeling for the Ag Nanoparticle Coalescence Process: A Case of Surface Plasmon Resonance}},
journal = {The Journal of Physical Chemistry C},
volume = {121},
number = {12},
pages = {7030--7036},
year = {2017},
doi = {10.1021/acs.jpcc.7b00769},
url = {https://doi.org/10.1021/acs.jpcc.7b00769},
eprint = {https://doi.org/10.1021/acs.jpcc.7b00769}
}
@article{Benitez2018,
author = {J. Ben\'{i}tez and J. A. Heredia-Guerrero and M. A. San-Miguel and H. C. Galloway},
title = {\textbf{Packing Defects in Fatty Amine Self-Assembled Monolayers on Mica as Revealed from AFM Techniques}},
journal = {The Journal of Physical Chemistry B},
volume = {122},
number = {2},
pages = {493--499},
year = {2018},
doi = {10.1021/acs.jpcb.7b03603},
note = {PMID: 28574708},
url = {https://doi.org/10.1021/acs.jpcb.7b03603},
eprint = {https://doi.org/10.1021/acs.jpcb.7b03603}
}
@article{Juan2016,
author = {J. Andr\'{e}s and A. F. Gouveia and L. Gracia and E. Longo and G. M. Faccin and E. Z. da Silva and D. H. Pereira and M. A. San‐Miguel},
title = {\textbf{Formation of Ag nanoparticles under electron beam irradiation: Atomistic origins from first‐principles calculations}},
journal = {International Journal of Quantum Chemistry},
volume = {118},
number = {9},
pages = {e25551},
year = {2016},
doi = {10.1002/qua.25551},
url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.25551}
}
@article{Miguel2016,
author = {M. A. San-Miguel and E. Z. da Silva and S. M. Zanetti and M. Cilense and M. T. Fabbro and L. Gracia and J. Andr\'{e}s and E. Longo},
title = {\textbf{\textit{In situ} growth of Ag nanoparticles on $\alpha$-Ag$_2$WO$_4$ under electron irradiation: probing the physical principles}},
journal = {Nanotechnology},
volume = {27},
number = {22},
year = {2016},
month = {Apr},
day = {26},
pages = {e225703}
}
@article{Pereira2015,
author = {W. Pereira and J. Andres and L. Gracia and M. A. San-Miguel and E. Z. da Silva and E. Longo and V. M. Longo},
title = {\textbf{Elucidating the real-time Ag nanoparticle growth on [small alpha]-Ag$_2$WO$_4$ during electron beam irradiation: experimental evidence and theoretical insights}},
journal = {Physical Chemistry Chemical Physics},
year = {2015},
volume = {17},
issue = {7},
pages = {5352--5359},
publisher = {The Royal Society of Chemistry},
doi = {10.1039/C4CP05849F},
url = {http://dx.doi.org/10.1039/C4CP05849F}
}
@article{San-Miguel2015,
author = {M. A. San-Miguel and E. P. M. Amorim and E. Z. da Silva},
title = {\textbf{NiAl(110) Surface as a Template for Growing Transition Metal Linear Atomic Chains: A DFT Investigation}},
journal = {The Journal of Physical Chemistry C},
volume = {119},
number = {5},
pages = {2456--2461},
year = {2015},
doi = {10.1021/jp5097635},
url = {https://doi.org/10.1021/jp5097635},
eprint = {https://doi.org/10.1021/jp5097635}
}
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