Artículo
Fernández-Werner, L., Faccio, R., Juan, A., Pardo, H., & Mombrú, Á. W. (2014). Ultrathin (001) and (100) TiO2(B) sheets: Surface reactivity and structural properties. Applied Surface Science, 290, 180–187. doi: https://www.doi.org/10.1016/j.apsusc.2013.11.029
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Romero, M., Faccio, R., Vázquez, S., Davyt, S., & Mombrú, Á. W. (11 2016). Experimental and theoretical Raman study on the structure and microstructure of Li0.30La0.57TiO3 electrolyte prepared by the sol-gel method in acetic medium. Ceramics International, 42, 15414–15422. doi: https://www.doi.org/10.1016/j.ceramint.2016.06.192
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Pignanelli, F., Romero, M., Faccio, R., & Mombrú, Á. W. (7 2017). Experimental and Theoretical Study of Ionic Pair Dissociation in a Lithium IonLinear PolyethyleniminePolyacrylonitrile Blend for Solid Polymer Electrolytes. The Journal of Physical Chemistry B, 121, 6759–6765. doi: https://www.doi.org/10.1021/acs.jpcb.7b04634
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German, E., Faccio, R., & Mombrú, Á. W. (12 2017). Theoretical study of new potential semiconductor surfaces performance for dye sensitized solar cell usage: TiO2-B (001), (100) and H2Ti3O7 (100). Applied Surface Science, 426, 1182–1189. doi: https://www.doi.org/10.1016/j.apsusc.2017.08.012
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German, E., Faccio, R., & Mombrú, A. W. (12 2017). A DFT+U study on structural, electronic, vibrational and thermodynamic properties of TiOsub2/subpolymorphs and hydrogen titanate: tuning the Hubbard `iU/i-term’. Journal of Physics Communications, 1, 55006. doi: https://www.doi.org/10.1088/2399-6528/aa8573
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German, E., Faccio, R., & Mombrú, A. W. (1 2018). Comparison of standard DFT and Hubbard-DFT methods in structural and electronic properties of TiO2 polymorphs and H-titanate ultrathin sheets for DSSC application. Applied Surface Science, 428, 118–123. doi: https://www.doi.org/10.1016/j.apsusc.2017.09.141
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Esteves, M., Fernández-Werner, L., Pignanelli, F., Montenegro, B., Belluzzi, M., Pistón, M., Mombrú, Á. W. (1 2019). Synthesis, characterization and simulation of lithium titanate nanotubes for dye sensitized solar cells. Ceramics International, 45, 708–717. doi: https://www.doi.org/10.1016/j.ceramint.2018.09.233
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Pignanelli, F., Romero, M., Esteves, M., Fernández-Werner, L., Faccio, R., & Mombrú, A. W. (10 2018). Lithium titanate nanotubes as active fillers for lithium-ion polyacrylonitrile solid polymer electrolytes. Ionics, 25, 2607–2614. doi: https://www.doi.org/10.1007/s11581-018-2768-z
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Juan, J., Fernández-Werner, L., Jasen, P. V., Bechthold, P., Faccio, R., & González, E. A. (10 2020). Theoretical study of Li intercalation in TiO2(B) surfaces. Applied Surface Science, 526, 146460. doi: https://www.doi.org/10.1016/j.apsusc.2020.146460
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Juan, J., Fernández-Werner, L., Bechthold, P., Villarreal, J., Gaztañaga, F., Jasen, P. V., González, E. A. (4 2022). Charged lithium adsorption on pristine and defective silicene: a theoretical study. Journal of Physics: Condensed Matter, 34, 245001. doi: https://www.doi.org/10.1088/1361-648x/ac630a
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Esteves, M., Fernández-Werner, L., Bechthold, P., Faccio, R., & Mombrú, Á. W. (8 2022). Hydrogen Titanate H2TiO3 Nanowires Derived from K2TiO3 as Potential Materials for Solar Cell Applications: A Theoretical Study. ChemistrySelect, 7. doi: https://www.doi.org/10.1002/slct.202201824
