{"id":390,"date":"2019-10-24T10:55:36","date_gmt":"2019-10-24T13:55:36","guid":{"rendered":"https:\/\/laes.unc.edu.ar\/?page_id=390"},"modified":"2026-05-08T13:50:18","modified_gmt":"2026-05-08T16:50:18","slug":"papers","status":"publish","type":"page","link":"https:\/\/laesunc.fcq.unc.edu.ar\/?page_id=390","title":{"rendered":"Papers"},"content":{"rendered":"

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103. From Graphene Oxidation to Structural Defects: The Role of Interlayer Spacing and sp3 Hybridization in Lithium-Ion Battery Anodes<\/strong><\/h3>\n
Francisco J. Garc\u00eda-Soriano, Esteban Euti, Dania Hern\u00e1ndez, Fernando P. Cometto, Ezequiel P. M. Leiva, M. Victoria Bracamonte<\/h6>\n
Batteries & Supercaps<\/em>, 9 (2026) e70316<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1002\/batt.70316<\/a><\/span><\/h6>\n

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102. Oxygen Vacancies in Low-Positive Thermal Expansion Al2W3O12-Based Electrodes for Lithium-Ion Batteries<\/strong><\/h3>\n
Esteban C. Moreno Diaz, Victoria Bracamonte, Esteban Euti, Andr\u00e9 O.Guimara\u1ebds, Guillermina L.Luque, Bojan A.Marinkovic<\/h6>\n
Physica Status Solidi (b) Basic Solid State Physics<\/em>, 263 (2026) e70887<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1002\/pssb.70227<\/a><\/span><\/h6>\n

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101. Degradation mechanisms of NMC18650 lithium-ion batteries: Temperature-dependent aging and performance analysis<\/strong><\/h3>\n
Guadalupe Pe\u00f1aranda, C. Andrea Calder\u00f3n, Ver\u00f3nica D\u00edaz, Fernando Cometto, Ricardo Faccio, Erika T\u00e9liz<\/h6>\n
Journal of Power Sources<\/em>, 679 (2026) 240122<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.jpowsour.2026.240122<\/a><\/span><\/h6>\n

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100. Mining brine to source lithium for the energy transition<\/strong><\/h3>\n
Leonardo Gobbato \u2219 Dominika Baster \u2219 Martina Gamba \u2219 Laura Herrmann \u2219 Cecilia Andrea Calder\u00f3n \u2219 Rodrigo Cort\u00e9s Lobos \u2219 Victoria Flexer \u2219 Pia Boyer \u2219 Humberto Estay Cuenca \u2219 Thomas Lund Hansen \u2219 John Worth \u2219 Hans-Georg Steinrueck \u2219 Fabian Jeschull \u2219 Valentin Goldberg \u2219 Elisabeth Gorman \u2219 Harris Kohl \u2219 Sarbajit Banerjee<\/h6>\n
Chem Circularity<\/em>, (2026) 100007<\/strong><\/h6>\n
\u2192https:\/\/www.cell.com\/chem-circularity\/fulltext\/S3051-2948(26)00003-4<\/a><\/span><\/h6>\n

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99. The role of SiO2 nanoparticles in lithium dendrite suppression<\/strong><\/h3>\n
Zampieri, M., Ramanzin, B. S., Cometto, F. P., Maldonado-Ochoa, S. A., Leiva, E. P., Ch\u00e1vez, F. V., & Luque, G. L.<\/h6>\n
Applied Surface Science<\/em>, (2025) 164444<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.apsusc.2025.164444<\/a><\/span><\/h6>\n

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98. Comparative Study of Photopolymerized Gel Polymer Electrolytes Obtained via Thiol-Ene Click Reaction for Li Metal Batteries<\/strong><\/h3>\n
Mattia Longo, Matteo Gandolfo, Nuria Abigail Plebani, Cecilia Andrea Calderon, Matteo Destro, Daniela Fontana, Silvia Bodoardo, Julia Amici.<\/h6>\n
Energy Environ. Mate<\/em>, 8 (2025) e70028<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1002\/eem2.70028<\/a><\/span><\/h6>\n

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97. Electrochemical Modeling Applied to Intercalation Phenomena Using Lattice Kinetic Monte Carlo Simulations: Galvanostatic Simulations<\/strong><\/h3>\n
E. Maximiliano Gavil\u00e1n-Arriazu, Andr\u00e9s Ruderman, Carlos Bederian, Eduardo Moran Vieyra and Ezequiel P. M. Leiva.<\/h6>\n
Entropy<\/em>, 27(7) (2025) 663<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.3390\/e27070663<\/a><\/span><\/h6>\n

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96. Towards a universal model for assessing the performance of battery materials at the level of single-particle behavior<\/strong><\/h3>\n
Edgardo Maximiliano Gavil\u00e1n-Arriazu, Andres Ruderman, Francisco Fernandez, Igor Baskin, Roman G. Fedorov, Jonas Schlaier, Sebastian Maletti, Christian Heubner, Alexander Michaelis, Yair Ein-Eli, Ezequiel Pedro Marcos Leiva.<\/h6>\n
Electrochimica Acta<\/em>, 523 (2025) 145939<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.electacta.2025.145939<\/a><\/span><\/h6>\n

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95. A ubiquitous waste as a superior adsorbent for methylene blue removal: Cow-hair biochar<\/strong><\/h3>\n
Euti, E., Morel, L., Stragliotto, F., Luque, G., & Bracamonte, M. V.<\/h6>\n
Materials Technology Report<\/em>, 3(1) (2025) 2109<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.59400\/mtr2109<\/a><\/span><\/h6>\n

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94. Biocarbon from olive pomace residue as a sulfur host for carbonate-based lithium-sulfur batteries<\/strong><\/h3>\n
Francisco J. Garc\u00eda-Soriano, Fernando Cometto, Sofia Raviolo, Tim Slosar, Elena Tchernychova, Bo\u0161tjan Genorio, Robert Dominko, Maria Victoria Bracamonte & Alen Vizintin<\/h6>\n
Communications Materials<\/em>, 6 (2025)<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1038\/s43246-025-00846-8<\/a><\/span><\/h6>\n

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93. NMR Insights into Pore Architecture and Li+ Accessibility<\/strong>
\nfor Optimized Energy Density in Li-O2 Batteries<\/strong><\/h3>\n
Santiago Agust\u00edn Maldonado-Ochoa, Sof\u00eda Raviolo, Fernando Cometto, Guillermina Leticia Luque and Fabi\u00e1n Vaca Ch\u00e1vez<\/h6>\n
ChemPhysChem<\/em>, 26 (2025) e202400938<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1002\/cphc.20 2400938<\/a><\/span><\/h6>\n

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92. X-ray photoelectron spectroscopy study of Li, Na, and Mg foils: Composition and oxidation kinetics of pristine materials in batteries<\/strong><\/h3>\n
Nuria Plebani, C. Andrea Calder\u00f3n, M. Victoria Bracamonte, Manuel Otero, Guillermina Luque, Fernando Cometto<\/h6>\n
Thin Solid Films<\/em>, 819 (2025) 140664<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.tsf.2025.140664<\/a><\/span><\/h6>\n

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91. Simulating Lithium Deposition on Planar Anode: The Role of Particle Reservoir and the Influence of Dendrite Growth on Current Density Profiles<\/strong><\/h3>\n
Paula V. Saravia, C. Andrea Calder\u00f3n, Ezequiel P. M. Leiva, S. Alexis Paz<\/h6>\n
J. Phys. Chem. C<\/em>, 129 (6) (2025) 3218-3225<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1021\/acs.jpcc.4c06883<\/a><\/span><\/h6>\n

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90. Global h\u2011BN Defects as Critical Enablers for Inhibiting Lithium Dendrite Growth and Enhancing Anode Stability<\/strong><\/h3>\n
Jer\u00f3nimo Brizuela, Guadalupe Pen\u0303aranda, Manuel Otero, Cecilia Andrea Calder\u00f3n,
\nFernando Pablo Cometto and Mar\u00eda Victoria Bracamonte<\/h6>\n
J. Phys. Chem. C<\/em>, 129(4) (2025) 2132\u20132141<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1021\/acs.jpcc.4c06675<\/a><\/span><\/h6>\n

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89. Valorization of brewer’s spent grain via systematic study of KOH activation parameters and its potential application in energy storage<\/strong><\/h3>\n
Sof\u00eda Raviolo, Mar\u00eda Victoria Bracamonte, Mar\u00eda Bel\u00e9n Suarez Ramanzin, Daniela Alburquenque, Marcos Iv\u00e1n Oliva, Fernando Pablo Cometto, Guillermina Leticia Luque<\/h6>\n
Biomass and Bioenergy<\/em>, 192 (2025) 107494<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.biombioe.2024.107494<\/a><\/span><\/h6>\n

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88. 2D P-doped carbon nitride as an effective artificial solid electrolyte interphase for the protection of Li anodes<\/strong><\/h3>\n
Franco Eroles, Yesica Celeste Villagr\u00e1n L\u00f3pez, Mar\u00eda Beatriz L\u00f3pez, Martin E. Zoloff Michoff, Guillermina Luque and Fernando Cometto<\/h6>\n
Phys. Chem. Chem. Phys.<\/em>, 27 (2025) 2631-2643<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1039\/D4CP04183F<\/a><\/span><\/h6>\n

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87. On the influence of ion interactions on the predictions of a non-interacting model applied to evaluate lithium-ion battery materials<\/strong><\/h3>\n
Muriel Zampieri, Guillermina Tommasone, Luciana Morel and Guillermina Leticia Luque<\/h6>\n
\u00a0J Solid State Electrochem<\/i><\/em>, (2024)<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1007\/s10008-024-06006-1<\/a><\/span><\/h6>\n

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86. <\/strong>Galvanostatic performance of single-particle Li-ion battery materials: a rapid diagram diagnosis assisted by a Python \/ C++ software<\/strong><\/h3>\n
Andr\u00e9s Ruderman<\/span>,\u00a0Edgardo Maximiliano Gavil\u00e1n-Arriazu<\/span>,\u00a0Francisco Fernandez<\/span>,\u00a0Yair Ein-Eli<\/span>\u00a0and\u00a0Ezequiel P M Leiva<\/span><\/h6>\n
Phys. Scr.<\/em>, 100 (2024) 015946<\/strong><\/h6>\n
\u2192DOI<\/strong>\u00a010.1088\/1402-4896\/ad98cb<\/a><\/span><\/h6>\n

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85. Unravelling Lithium Interactions in Non-Flammable Gel Polymer Electrolytes: A Density Functional Theory and Molecular Dynamics Study<\/strong><\/h3>\n
Nasser AL-Hamdani, Paula V. Saravia, Javier Luque Di Salvo, Sergio A. Paz and Giorgio De Luca<\/h6>\n
Batteries<\/em>, 11(1) (2025) 27945-27954<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.3390\/batteries11010027<\/a><\/span><\/h6>\n

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84. Diffusion and thermodynamic properties of lithium polysulfides in different solvents: a molecular dynamics approach<\/strong><\/h3>\n
Javier Luque Di Salvo, Santiago Agust\u00edn Maldonado-Ochoa, Guillermina L. Luque, Andrea Calder\u00f3n, Victoria Bracamonte, Fabi\u00e1n Vaca Ch\u00e1vez, Daniel E. Barraco, Alen Vizintin, Robert Dominko, Ezequiel P. M. Leiva\u00a0 and Giorgio De Luca<\/h6>\n
Phys. Chem. Chem. Phys.<\/em>, 26 (2024) 27945-27954<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1039\/D4CP03352C<\/a><\/span><\/h6>\n

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83. Anode-free post-Li metal batteries<\/strong><\/h3>\n
Deik Petersen, Monja Gronenberg, German Lener, Ezequiel P. M. Leiva, Guillermina L. Luque, Sasan Rostami, Andrea Paolella, Bing Joe Hwang, Rainer Adelung and Mozaffar Abdollahifar<\/h6>\n
Mater. Horiz.<\/i><\/em>, 11 (2024) 5914-5945<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1039\/D4MH00529E<\/a><\/span><\/h6>\n

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82. Morphology characterization of dendrites on lithium metal electrodes by NMR spectroscopy<\/strong><\/h3>\n
Santiago Agust\u00edn Maldonado-Ochoa, Muriel Zampieri, Manuel Otero y Fabi\u00e1n Vaca Ch\u00e1vez<\/h6>\n
Phys. Chem. Chem. Phys.<\/em>, 26 (2024) 17141-17147<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1039\/D4CP01019A<\/a><\/span><\/h6>\n

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81. Molecular insight on Li2S6 and LiTFSI transport through hydrophobic nanochannels<\/strong><\/h3>\n
Javier Luque Di Salvo, Guillermina Luque, Ezequiel Leiva, Giorgio De Luca<\/h6>\n
Journal of Power Sources,<\/em> 603 (2024) 234380<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.jpowsour.2024.234380<\/a><\/span><\/h6>\n

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80. First principles investigation of Li\ud835\udc65Si and Li\ud835\udc65Sn alloys: Unraveling atomic-scale influences on material properties<\/strong><\/h3>\n
Jer\u00f3nimo Brizuela, Mar\u00eda Victoria Bracamonte, Daniel Eugenio Barraco, Manuel Otero<\/h6>\n
Journal of Power Sources,<\/em> 609 (2024) 234657<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.jpowsour.2024.234657<\/a><\/span><\/h6>\n

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79. Material design modelling for optimisation of lithium battery fast charging<\/strong><\/h3>\n
F. Fernandez, E. M. Gavil\u00e1n-Arriazu and M. Otero<\/h6>\n
\u00a0J Solid State Electrochem,<\/em> (2024)<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1007\/s10008-024-05952-0<\/a><\/span><\/h6>\n

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78. NMR, x-ray, and M\u00f6ssbauer results for amorphous Li-Si alloys using density functional tight-binding method<\/strong><\/h3>\n
F. Fernandez, M. Otero, M. B. Oviedo, D. E. Barraco, S. A. Paz, and E. P. M. Leiva<\/h6>\n
Phys. Rev. B,<\/em> 108 (2024) 144201<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1103\/PhysRevB.108.144201<\/a><\/span><\/h6>\n

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77. Sustainable Cow Hair Biocarbon-Sulfur Cathodes with Enhanced Electrochemical Performance<\/strong><\/h3>\n
M. V. Bracamonte, G. L. Luque, C. A. Calder\u00f3n, Fernando Cometto, S. Raviolo, M. Cozzarin, E. P. M. Leiva, and D. Barraco<\/h6>\n
ChemistrySelect<\/i><\/span>, 8<\/strong><\/em>\u00a0<\/strong>(2023) e202302443<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1002\/slct.202302443<\/a><\/span><\/h6>\n

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76. Sepiolite as a novel polysulfide trapper for energy applications: an electrochemical, X-ray spectroscopic and DFT study<\/strong><\/h3>\n
Francisco Javier Garc\u00eda-Soriano, Sergio Andr\u00e9s Ceppi, Fernando Pablo Cometto, Emiliano Nicol\u00e1s Primo, Daniel Eugenio Barraco, Ezequiel Pedro Marcos Leiva, Guillermina Leticia Luque, Guillermo Stutz, German Lener and Mar\u00eda Victoria Bracamonte<\/h6>\n
Phys. Chem. Chem. Phys.<\/i><\/span>, 25<\/strong><\/em>\u00a0<\/strong>(2023) 24761-24769<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1039\/D3CP03157H\u00a0<\/a><\/span><\/h6>\n

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75. Diversity of Behavior after Collisions of Sn and Si Nanoparticles Found Using a New Density Functional Tight-Binding Method<\/strong><\/h3>\n
Andr\u00e9s Ruderman, Mar\u00eda Bel\u00e9n Oviedo, Sergio Alexis Paz, and Ezequiel P. M. Leiva.<\/h6>\n
J. Phys. Chem. A<\/i><\/span>, <\/strong><\/em>127<\/strong>\u00a0<\/strong>(2023) 8955-8965<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1021\/acs.jpca.3c05534<\/a><\/span><\/h6>\n

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74. Towards a fast-charging of LIBs electrode materials: a heuristic model based on galvanostatic simulations<\/strong><\/h3>\n
F. Fernandez a, E.M. Gavil\u00e1n-Arriazu a b, D.E. Barraco a, A. Visintin c, Y. Ein-Eli d e, E.P.M. Leiva.<\/h6>\n
Electrochimica Acta, <\/strong><\/em>464 <\/strong>(2023) 142951<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.electacta.2023.142951<\/a><\/span><\/h6>\n

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73. Modeling and experimental validation of the discharge of lithium-sulfur batteries with nanoporous carbons following the Quasi-Solid-State Mechanism<\/strong><\/h3>\n
D. Levitan, P.M. Mu\u00f1oz, C.A. Calder\u00f3n, G. Correa, R. Humana, E.P.M. Leiva.<\/h6>\n
Electrochimica Acta, <\/strong><\/em>466 <\/strong>(2023) 142987<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.electacta.2023.142987<\/a><\/span><\/h6>\n

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72. A Green Solution to Energy Storage: Brewers\u2019 Spent Grains Biocarbon\u2013Silica Composites as High-Performance Lithium-Ion Batteries Anodes<\/strong><\/h3>\n
Sof\u00eda Raviolo, Mar\u00eda Victoria Bracamonte, Cecilia Andrea Calder\u00f3n, Fernando Pablo Cometto, Guillermina Leticia Luque.<\/h6>\n
Energy Technol., <\/strong><\/em>(2023) 2300342<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1002\/ente.202300342<\/a><\/span><\/h6>\n

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71. Mechanical properties vs. interaction strength: Comprehensive understanding of aqueous binders\u2019 formulation on Si-based anodes for lithium-ion batteries<\/strong><\/h3>\n
Emiliano N. Primo, Franco Eroles, Mar\u00eda del Carmen Rojas, Fernando Cometto, Ezequiel Leiva, Daniel E. Barraco, Guillermina L. Luque.<\/h6>\n
Journal of Power Sources, 574<\/strong><\/em> (2023) 233140<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.jpowsour.2023.233140<\/a><\/span><\/h6>\n

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70. Density Functional Tight-Binding Model for Lithium\u2013Silicon Alloys<\/strong><\/h3>\n
Mar\u00eda Bel\u00e9n Oviedo, Francisco Fernandez, Manuel Otero, Ezequiel P. M. Leiva, and Sergio Alexis Paz.<\/h6>\n
J. Phys. Chem. A, <\/strong><\/em>(2023) 127, 11, 2637\u20132645<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1021\/acs.jpca.3c00075<\/a><\/span><\/h6>\n

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69. MAS NMR and DFT study of electrochemical performance of silicon nanoparticle as anodes for Li-ion batteries<\/strong><\/h3>\n
Andres Ruderman, Emiliano N. Primo, M. Victoria Bracamonte, Guillermina L. Luque, Gustavo A. Monti, Daniel E. Barraco, Fabi\u00e1n Vaca Ch\u00e1vez.<\/strong><\/h6>\n
Journal of Power Sources, 563<\/strong><\/em> (2023) 232800<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.jpowsour.2023.232800<\/a><\/span><\/h6>\n

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68. Biobased supramolecular ionic networks with optimized crystallinity and mechanical properties as promising dynamic materials for eutectogels design<\/strong><\/h3>\n
L.I.<\/span>\u00a0Ronco, <\/span>G.C. Luque, C.A. Calder\u00f3n, E.M. Euti, E. Rufeil Fiori, D.E. Barraco, E.P.M. Leiva, D. Mecerreyes, R.J. Minari, M.L. Picchio.<\/strong><\/h6>\n
Materials Today Chemistry, <\/strong><\/em>30 (2023) 101525<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.mtchem.2023.101525<\/a><\/span><\/h6>\n

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67. Integrated Sensor Printed on the Separator Enabling the Detection of Dissolved Manganese Ions in Battery Cell<\/strong><\/h3>\n
Tina Palik, Victoria Bracamonte, Tom\u00e1\u0161 Syrov\u00fd, Sara Drvari\u010d Talian, Samo Ho\u010devar, Robert Dominko.<\/strong><\/h6>\n
Energy Storage Materials, <\/strong><\/em>55 (2023) 55-63<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.ensm.2022.11.039<\/a><\/span><\/h6>\n

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66. Surface film formation on Mg electrode containing magnesium polysulfides in TFSI-based electrolytes<\/strong><\/h3>\n
M. Victoria Bracamonte, Alen Vizintin, Gregor Kapun, Fernando Cometto, Jan Bitenc, Anna Randon Vitanova, Miran Gaber\u0161\u010dek, Robert Dominko.<\/strong><\/h6>\n
Journal of Power Sources,<\/strong><\/em> 555 (2023) 232367<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.jpowsour.2022.232367<\/a><\/span><\/h6>\n

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65. Sodiation energetics in pore size controlled hard carbons determined via entropy profiling<\/strong><\/h3>\n
Mercer, MP; Nagarathinam, M; Gavilan-Arriazu, EM; Binjrajka, A ; Panda, S; Au, HT; Crespo-Ribadeneyra, M; Titirici, MM; Leiva, EPM; Hoster, HE.<\/strong><\/h6>\n
J. Mater. Chem. A, <\/strong><\/em>11 (2023) 6543<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1039\/d2ta09406a<\/a><\/span><\/h6>\n

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64. Lithium polysulfide conformer analysis in ether-based solvents for Li\u2013S batteries<\/strong><\/h3>\n
Javier Luque Di Salvo, Guillermina L. Luque and Giorgio De Luca<\/h6>\n
Mol. Syst. Des. Eng.<\/i><\/strong> 7 (2022) 364-373<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1039\/D1ME00185J<\/a><\/span><\/h6>\n

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63. Extending the Conversion Rate of Sulfur Infiltrated into Microporous Carbon in Carbonate Electrolytes<\/strong><\/h3>\n
Dr. Mar\u00eda L. Para, Dr. Cecilia A. Calder\u00f3n, Dr. Sara Drvari\u010d Talian, Dr. Florent Fischer, Dr. Guillermina L. Luque, Prof. Daniel E. Barraco, Prof. Ezequiel P. M. Leiva, Prof. Robert Dominko<\/strong><\/h6>\n
Batteries & Supercaps<\/em> (2022)<\/strong><\/h6>\n
\u2192”http:\/\/doi.org\/10.1016\/j.scitotenv.2021.150177″>https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/10.1002\/batt.202100374<\/a><\/span><\/h6>\n

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62. Composite polymer electrolyte with high inorganic additive contents to enable metallic lithium anode<\/strong><\/h3>\n
Julia Amici, Cecilia Andrea Calder\u00f3n, Daniele Versaci, Guillermina Luque, Daniel Barraco,\u00a0 Ezequiel Leiva, Carlotta Francia, Silvia Bodoardo<\/strong><\/h6>\n
Electrochimica Acta<\/em> (2022)<\/strong><\/h6>\n
\u2192<\/span>https:\/\/www.sciencedirect.com\/science\/article\/abs\/pii\/S0013468621020557?via%3Dihub<\/a><\/span><\/h6>\n

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61. Glyphosate and glufosinate ammonium, herbicides commonly used on genetically modified crops, and their interaction with microplastics: Ecotoxicity in anuran tadpoles<\/strong><\/h3>\n
R.C. Lajmanovich, A.M. Attademo, G. Lener, A.P. Cuzziol Boccioni, P.M. Peltzer, C.S. Martinuzzi, L.D. Demonte &amp M.R. Repetti<\/strong><\/h6>\n
Science of The Total Environment<\/em> (2022)<\/strong><\/h6>\n
\u2192https:\/\/www.sciencedirect.com\/science\/article\/abs\/pii\/S0048969721052542?via%3Dihub<\/a><\/span><\/h6>\n

 <\/p>\n

60. Galvanostatic Fast Charging of Alkali-Ion Battery Materials at the Single-Particle Level: A Map-Driven Diagnosis.<\/strong><\/h3>\n
Gavilan-Arriazu, E.M.; Barraco, D.E.; Ein-Eli, Y; Leiva, EPM.<\/strong><\/h6>\n
ChemPhysChem <\/strong><\/em>(2022)<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1002\/cphc.202200665<\/a><\/span><\/h6>\n

 <\/p>\n

59. Surface Reactivity of Lithium (Poly)sulfides in a Polarizable Environment from First Principles.<\/strong><\/h3>\n
Michoff, MEZ; Maza, FEL; Luque, GL; Leiva, EPM.<\/strong><\/h6>\n
Topics in Catalysis <\/strong><\/em>(2022)<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1007\/s11244-022-01642-1<\/a><\/span><\/h6>\n

 <\/p>\n

58. Fast charging of alkali-ion batteries at the single-particle level: the impact of particle geometry on diffusional and kinetic bottlenecks in voltammetry.<\/strong><\/h3>\n
Gavilan-Arriazu, EM; Barraco, DE; Ein-Eli, Y; Leiva, EPM.<\/strong><\/h6>\n
Journal of Solid State Electrochemistry<\/strong><\/em>\u00a0 (2022)<\/strong><\/h6>\n
\u2192https:\/\/link.springer.com\/article\/10.1007\/s10008-022-05200-3<\/a><\/span><\/h6>\n

 <\/p>\n

57. Pore size distribution of carbon black: An approach from a coarse-grained potential.<\/span><\/strong><\/h3>\n
Velez, P; Luque, GL; Barraco, DE; Franco, AA; Leiva, EPM.<\/strong><\/h6>\n
Computational Materials Science<\/em> (2022)<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.commatsci.2022.111409<\/a><\/span><\/h6>\n

 <\/p>\n

56. Vertically aligned carbon nanotubes for monovalent cation selective membranes designed by in silico experiments.<\/span><\/strong><\/h3>\n
De Luca, G; Di Salvo, JL; Cipollina, A; Luque, GL; Fuoco, A; Leiva, EPM; Micale, G.<\/strong><\/h6>\n
Desalination<\/em> (2022)<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.desal.2022.116123<\/a><\/span><\/h6>\n

 <\/p>\n

55. Unveiling the stability of Sn\/Si\/graphite composites for Li-ion storage by physical, electrochemical and computational tools.<\/strong><\/h3>\n
Andr\u00e9s Ruderman, Sacha Smrekar, M. Victoria Bracamonte, Emiliano N. Primo, Guillermina L. Luque, Jorge Thomas, Ezequiel Leiva, Gustavo A. Monti, Daniel E. Barraco and Fabi\u00e1n Vaca Ch\u00e1vez.<\/strong><\/h6>\n
Physical Chemistry Chemical Physics,<\/em> 23 (2021) 3281-3289<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1039\/D0CP05501H<\/a><\/span><\/h6>\n

 <\/p>\n

54. Sodiation Of Hard Carbon: How Separating Enthalpy And Entropy Contributions Can Find Transitions Hidden In The Voltage Profile.<\/span><\/strong><\/h3>\n
Mercer, MP; Affleck, S; Gavilan-Arriazu, EM; Zulke, AA; Maughan, PA ; Trivedi, S; Fichtner, M; Munnangi, AR; Leiva, EPM; Hoster, HE.<\/strong><\/h6>\n
ChemPhysChem<\/em> (2021)<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1002\/cphc.202100748<\/a><\/span><\/h6>\n

 <\/p>\n

53. Voltammetric Behaviour of LMO at the Nanoscale: A Map of Reversibility and Diffusional Limitations.<\/span><\/strong><\/h3>\n
Gavilan-Arriazu, EM; Mercer, MP; Barraco, DE; Hoster, HE; Leiva, EPM.<\/strong><\/h6>\n
ChemPhysChem<\/em> (2021)<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1002\/cphc.202100700<\/a><\/span><\/h6>\n

 <\/p>\n

52. On how interactions influence kinetic limitations in alkali-ion batteries. Application to Li-ion intercalation into graphite through voltammetric experiments.<\/span><\/strong><\/h3>\n
Edgardo M Gavil\u00e1n-Arriazu, Daniel E Barraco, Ezequiel Pedro Marcos Leiva.<\/strong><\/h6>\n
Journal of Solid State Electrochemistry<\/em>, 25 (2021) 2793-2806<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1007\/s10008-021-05079-6<\/a><\/span><\/h6>\n

 <\/p>\n

51. On the role of oxidized graphene interfaces in lithium sulfur batteries: Thermodynamic and kinetic aspects using density functional theory<\/strong><\/h3>\n
P. V\u00e9lez, M. Rojas, J. Velasco, M. Para, D. Barraco, E. Leiva <\/strong>& <\/strong>G. Luque \u00a0<\/strong><\/h6>\n
Applied Surface Science<\/em> (2021)<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.apsusc.2021.149358<\/a><\/span><\/h6>\n

 <\/p>\n

50. Activated carbon from pyrolysis of peanut shells as cathode for lithium-sulfur batteries<\/strong><\/h3>\n
M. Rojas, M. Nieva Lobos, M. Para , M. Gonzales Quij\u00f3n , O. Camara, D. Barraco, E. Moyano & G. Luque\u00a0<\/strong><\/h6>\n
\u00a0Biomass and Bioenergy<\/em> (2021)<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.biombioe.2021.105971<\/a><\/span><\/h6>\n

 <\/p>\n

49. Characterization of amorphous Li x Si structures from ReaxFF via accelerated exploration of local minima<\/strong><\/h3>\n
\u00a0F. Fernandez, A. Paz, M. Otero, D. Barraco <\/strong>& <\/strong>E. Leiva<\/strong><\/h6>\n
Physical Chemistry Chemical Physics<\/em> (2021)<\/strong><\/h6>\n
\u2192https:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2021\/CP\/D1CP02216D<\/a><\/span><\/h6>\n

 <\/p>\n

48. Synthesis and characterization of porous carbon materials modified with NIFe 2 O 4 for applications in lithium-ion batteries.<\/strong><\/h3>\n
Raviolo, S. Amiune, N. Carraro, P. Luque, G. Eimer, G. Sapag, K. Oliva, M.<\/strong><\/h6>\n
Microscopy & Microanalysis<\/em>, 26 (2020) 165-166<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1017\/S143192762000104X<\/a><\/span><\/h6>\n

 <\/p>\n

47. Numerical simulations of cyclic voltammetry for lithium-ion intercalation in nanosized systems: finiteness of diffusion versus electrode kinetics<\/strong><\/h3>\n
Gavilan-Arriazu, M. Mercer, M. Pinto, O. Oviedo, O. Barraco, D. Hoster, H. Leiva, E.<\/strong><\/h6>\n
Journal of Solid State Electrochemistry,<\/em>\u00a024 (2020) 3279-3287<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1007\/s10008-020-04717-9<\/a><\/span><\/h6>\n

 <\/p>\n

46. Improving the polysulfide barrier by efficient carbon nanofibers coating on separator\/cathode for Li-S batteries<\/strong><\/h3>\n
F. J. Garc\u00eda-Soriano, M. L. Para, G. L. Luque, D. Barraco, E. P. M. Leiva & G. Lener<\/strong><\/h6>\n
J. Solid State Electrochem<\/em>. (2020)<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1007\/s10008-020-04749-1<\/a><\/span><\/h6>\n

 <\/p>\n

45. A mapping of the physical and electrochemical properties of composite Lithium-ion batteries anodes made from graphite, Sn and Si<\/strong><\/h3>\n
S. Smrekar, M. V. Bracamonte, E. N. Primo, G. L. Luque, J. Thomas, D. E. Barraco, E. Leiva.<\/strong><\/h6>\n
Batteries & Supercaps,<\/em> 3 (2020) 1248-1256<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1002\/batt.202000096<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

44. Ab initio calculations of lithium titanates related to anodes of lithium-ion batteries<\/strong><\/h3>\n
S. Amaya-Roncancio, L. Reinaudi, S. Chauque, F. Y. Oliva, O. R. C\u00e1mara, E. P.M. Leiva b, M. C. Gimenez.<\/strong><\/h6>\n
Journal of Physics and Chemistry of Solids,<\/strong><\/em> 141 (2020) 109405<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.jpcs.2020.109405<\/a><\/span><\/h6>\n

 <\/p>\n

43. Enhanced energy storage of alkali (Li, Na) titanates by sucrose carbonization<\/strong><\/h3>\n
S. Chauque, F.Y. Oliva, G. Lener, O. R. C\u00e1mara.<\/strong><\/h6>\n
Journal of Solid State Electrochemistry,<\/em> 24 (2020) 1017<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1007\/s10008-020-04567-5<\/a><\/span><\/h6>\n

 <\/p>\n

42. Standardless determination of nanometric thicknesses in stratified samples by electron probe microanalysis<\/strong><\/h3>\n
G.D. Pereyra, F.Y. Oliva, N. Budini, G. Risso, P.D. P\u00e9rez, S. Su\u00e1rez, J.C. Trincavelli.<\/strong><\/h6>\n
Spectrochimica Acta Part B,<\/em> 171 (2020) 105932<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.sab.2020.105932<\/a><\/span><\/h6>\n

 <\/p>\n

41. Lithium Metal Protection by a Cross-Linked Polymer Ionic Liquid and Its Application in Lithium Battery<\/strong><\/h3>\n
C. Calder\u00f3n, Al. Vizintin, J. Bobnar, D. E. Barraco, E. Leiva, Ar. Visintin, S. Fantini, F. Fischer, and R. Dominko.<\/strong><\/h6>\n
ACS Appl. Energy Mater.<\/em> Just Accepted Manuscript (2020)<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1021\/acsaem.9b02309<\/a><\/span><\/h6>\n

 <\/p>\n

40. Ab-initio calculations of Lithium titanates related to anodes of Lithium-ion bateries<\/strong><\/h3>\n
S. Amaya-Roncancio, L. Reinaudi, S. Chauque, F. Oliva, O. C\u00e1mara, E. P. M. Leiva and M. C. Gimenez*.<\/strong><\/h6>\n
Journal of Physics and Chemistry of Solids,<\/em> 141 (2020) 109405<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.jpcs.2020.109405<\/a><\/span><\/h6>\n

 <\/p>\n

39. Monte Carlo simulations and Cluster-exact Approximation applied to H\/Cu(100), H\/Ag(100) and O\/Cu(100) systems
\n<\/strong><\/h3>\n
F. O. Sanchez-Varretti, E. V. G\u00f3mez, L. B. Avalle, F. M. Bulnes, M. C. Gimenez and A. J. Ramirez-Pastor.<\/strong><\/h6>\n
Applied Surface Science<\/em>, 500 (2020) 144034<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.apsusc.2019.144034<\/a><\/span><\/h6>\n

 <\/p>\n

38. Transitions of lithium occupation in graphite: A physically informed model in the dilute lithium occupation limit supported by electrochemical and thermodynamic measurements<\/strong><\/h3>\n
M.P. Mercer, M. Otero, M. Ferrer-Huerta, A. Sigal, D.E. Barraco, H.E. Hoster, E.P.M. Leiva<\/strong><\/h6>\n
Electrochimica Acta, <\/i>324 (2019) 134774<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.electacta.2019.134774<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

37. Study of the spontaneous oxidation of sodium in air by EPMA and Monte Carlo simulations<\/strong><\/h3>\n
F.Y. Oliva, E.P.M. Leiva, G. Lener, D.E. Barraco, J.C. Trincavelli<\/strong><\/h6>\n
Applied Surface Science, <\/i>480 (2019) 1093\u20131099<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.apsusc.2019.02.181<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

36. Percolation of hydrogen atoms adsorbed on Cu(100) surfaces: DFT, Monte Carlo and \ufb01nite size scaling techniques<\/strong><\/h3>\n
E. del Valle Gomez, L.B. Avalle, M.C. Gimenez<\/strong><\/h6>\n
International Journal of Hydrogen Energy,<\/i> 44 (2019) 7083-7094<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.ijhydene.2019.01.213<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

35. Modeling of substitutionally modi\ufb01ed graphene structures to prevent the shuttle mechanism in lithium-sulfur batteries<\/strong><\/h3>\n
P. Velez, M.L. Para, G.L. Luque, D. Barraco, E.P.M. Leiva<\/strong><\/h6>\n
Electrochimica Acta, <\/i>309 (2019) 402-414<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.electacta.2019.04.062<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

34. Mechanochemically synthesized pyrite and its electrochemical behavior as cathode for lithium batteries<\/strong><\/h3>\n
E.N. Primo, M.V. Bracamonte, G.L. Luque, P.G. Bercoff, E.P.M. Leiva, D.E. Barraco<\/strong><\/h6>\n
Journal of Solid State Electrochemistry,<\/i> 23 (2019) 6, 1929\u20131938<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1007\/s10008-019-04294-6<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

33. Impact of alginate and fluoroethylene carbonate on the electrochemical performance of SiO \u2013 SnCoC anode for lithium-ion batteries<\/strong><\/h3>\n
G.L. Luque,Y. Li, X. Zeng, X. Luo, E.P.M. Leiva, Z. Chen, K. Amine<\/strong><\/h6>\n
Journal of Solid State Electrochemistry,<\/i> 23 (2019) 397\u2013405<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1007\/s10008-018-4145-2<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

32. Capacity fading model for a solid electrolyte interface with surface growth<\/strong><\/h3>\n
E.M. Perassi, E.P.M. Leiva<\/strong><\/h6>\n
Electrochimica Acta,<\/i> 308 (2019) 418-425<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.electacta.2019.03.202<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

31. Use of poly[ionic liquid] as a conductive binder in lithium ion batteries<\/strong><\/h3>\n
S. Chauque, F.Y. Oliva, O.R. C\u00e1mara, R.M. Torresi<\/strong><\/h6>\n
Journal of Solid State Electrochemistry,<\/i> 22 (2018) 3589 \u2013 3596<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1007\/s10008-018-4078-9<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

30. The kinetic origin of the Daumas-H\u00e9rold model for the Li-ion\/graphite intercalation system<\/strong><\/h3>\n
E.M. Gavil\u00e1n-Arriazu, O.A. Pinto, B.A. L\u00f3pez de Mishima, D.E. Barraco, O.A. Oviedo, E.P.M. Leiva<\/strong><\/h6>\n
Electrochemistry Communications,<\/i> 93 (2018) 133\u2013137<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.elecom.2018.07.004<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

29. On the effect of the carbonaceous substrate in the nucleation of Sn nanoparticles for Li-ion anodes: experiments and first principles calculations<\/strong><\/h3>\n
S. Smrekar, M.E. Zoloff Michoff, J.E. Thomas, C.A. Calder\u00f3n, L.M. Farigliano, A. Visintin, E.P.M. Leiva, D.E. Barraco<\/strong><\/h6>\n
Journal of Solid State Electrochemistry,<\/i> 22 (2018) 1721<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1007\/s10008-017-3859-x<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

28. Grand Canonical Monte Carlo Study of Li Intercalation into Graphite<\/strong><\/h3>\n
E.M. Gavil\u00e1n-Arriazu, O.A. Pinto, B.A. L\u00f3pez de Mishima, E.P.M. Leiva, O.A. Oviedo<\/strong><\/h6>\n
Journal of The Electrochemical Society<\/i>, 165 (2018) A2019-A2025<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1149\/2.1211809jes<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

27. Energetics of silica lithiation and its applications to lithium ion batteries<\/strong><\/h3>\n
G. Lener, M. Otero, D.E. Barraco, E.P.M. Leiva<\/h6>\n
Electrochimica Acta,<\/i> 259 (2018) 1053-1058<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.electacta.2017.10.126<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

26. Design-Considerations regarding SiliconGraphite\u00a0 and TinGraphite Composite Electrodes for Lithium-Ion Batteries<\/strong><\/h3>\n
M. Otero, C. Heim, E.P.M. Leiva, N. Wagner, A. Friedrich<\/strong><\/h6>\n
Scientific Reports,<\/i> 8 (2018) 15851<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1038\/s41598-018-33405-y<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

25. A silica\/carbon composite as anode for lithium-ion batteries with a large rate capability: Experiment and theoretical considerations<\/strong><\/h3>\n
G. Lener, A.A. Garcia-Blanco, O. Furlong, M. Nazzarro, K. Sapag, D.E. Barraco, E.P.M. Leiva<\/h6>\n
Electrochimica Acta,<\/i> 279 (2018) 289-300<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.electacta.2018.05.050<\/a><\/span><\/strong><\/h6>\n

24. Hydrogen Evolution Reaction on Nanostructures Electrodes\u2014a Scenario on Stepped Silver Surfaces<\/strong><\/h3>\n
M. F. Ju\u00e1rez, M. \u00c1vila, A. Ruderman, E. Santos, E. P. M. Leiva & O. A. Oviedo.<\/strong><\/h6>\n
Electrocatalysis,<\/i> 8 (2017) 587\u2013593<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1007\/s12678-017-0371-0<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

23. Statistical mechanical modeling of the transition Stage II-Stage I of Li-ion storage in graphite. A priori vs induced heterogeneity<\/strong><\/h3>\n
M. Otero,\u00a0 A. Sigal, E. M. Perassi, D. Barraco, E.P.M. Leiva.<\/strong><\/h6>\n
Electrochimica Acta,<\/i> 245 (2017) 569-574<\/strong><\/h6>\n
\u2192http:\/\/dx.doi.org\/doi:10.1016\/j.electacta.2017.05.128<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

22. Shedding Light on the Entropy Change Found for the Transition Stage II\u2192Stage I of Li-Ion Storage in Graphite<\/strong><\/h3>\n
P. M. Leiva, E. Perassi, and D. Barraco.<\/strong><\/h6>\n
Journal of The Electrochemical Society,<\/i> 164 (2017) 6154-6157\u00a0<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1149\/2.0231701jes<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

21. Lithium titanate as anode material for lithium ion batteries: Synthesis, post- treatment and its electrochemical response<\/strong><\/h3>\n
S. Chauque, F.Y. Oliva, A. Visintin, D. Barraco, E.P.M. Leiva, O.R. C\u00e1mara<\/strong><\/h6>\n
Journal of Electroanalytical Chemistry,<\/i> 799 (2017) 142-155<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.jelechem.2017.05.052<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

20. Lithium dual uptake anode materials: crystalline Fe3O4 nanoparticles supported over graphite for lithium-ion batteries<\/strong><\/h3>\n
M. Victoria Bracamonte, Emiliano N. Primo, Guillermina L. Luque, Lisandro Venosta, Paula G. Bercoff, Daniel E. Barraco<\/strong><\/h6>\n
Electrochimica Acta,<\/i> 258 (2017) 192-199<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.electacta.2017.10.034<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

19. Intercalation stage dependence of core electronic excitations in Li-intercalated graphite from inelastic X-ray scattering<\/strong><\/h3>\n
G. E. Stutz,\u00a0 M. Otero, S. A. Ceppi, C. B. Robledo, G. Luque, E. Leiva, and D. E. Barraco D\u00edaz<\/strong><\/h6>\n
Appl. Phys. Lett.,<\/i> 110 \u00a0(2017) 253901<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1063\/1.4986922<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

18. Electrochemical comparison of LiFePO4 synthesized by a solid-state method using either microwave heating or a tube furnace<\/strong><\/h3>\n
Cecilia A. Calder\u00f3n, Jorge E. Thomas, German Lener, Daniel E. Barraco, Arnaldo Visintin<\/strong><\/h6>\n
Journal of Applied Electrochemistr<\/i>y, 47-10 (2017) 1179\u20131188<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1007\/s10800-017-1111-0<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

17. DFT study of adsorption and diffusion of atomic hydrogen on metal surfaces<\/strong><\/h3>\n
Elizabeth del V.G\u00f3mez, Sebasti\u00e1n Amaya-Roncancio, Luc\u00eda B.Avalle, Daniel H.Linares, M. Cecilia Gimenez<\/strong>\u00a0<\/span><\/h6>\n
Applied Surface Science,<\/i> 420 (2017) 1-8<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.apsusc.2017.05.032<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

16. Criticality of the phase transition on stage two in a lattice-gas model of a graphite anode in a lithium-ion battery<\/strong><\/h3>\n
M. Gavil\u00e1n Arriazu, B. A. L\u00f3pez de Mishima, O. A. Oviedo, E. P. M. Leiva and O. A. Pinto<\/strong><\/h6>\n
Phys. Chem. Chem. Phys<\/i>. 19 (2017) 23138<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1039\/c7cp04253a<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

15. Communication\u2014Large Electron-Hole Diffusion Lengths in Methylammonium Lead Triiodide Perovskite Films Prepared by an Electrochemical-Chemical Approach<\/strong><\/h3>\n
Lorena Macor, Agust\u00edn Sigal, Thomas Dittrich, Jorg Rappich,\u00a0 Luis Otero and Miguel Gervaldo<\/strong><\/h6>\n
ECS Journal of Solid State Science and Technology<\/i>, 6 (2017) 819-821\u00a0<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1149\/2.0181712jss<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

14. New kinetic insight into the spontaneous oxidation process of lithium in air by EPMA<\/strong><\/h3>\n
Manuel Otero, German Lener, Jorge Trincavelli, Daniel Barraco, Marcelo Sandro Nazzarro, Octavio Furlong, Ezequiel Pedro Marcos Leiva<\/strong><\/h6>\n
Applied Surface Science,<\/i> 383 (2016) 64\u201370<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.apsusc.2016.04.060<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

13. First-Principles studies of silicon underpotential deposition on defective graphene and its relevance for lithium-ion battery materials<\/strong><\/h3>\n
Laura Urquiza, Manuel Otero, Guillermina L. Luque, Daniel Barraco, Ezequiel P.M. Leiva<\/strong><\/h6>\n
Electrochimica Acta,<\/i> 208 (2016) 92-101<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.electacta.2016.05.001<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

12. A theoretical model to determine intercalation entropy and enthalpy: Application to lithium\/graphite<\/strong><\/h3>\n
Eduardo M. Perassi, Ezequiel P.M. Leiva\u00a0<\/strong><\/h6>\n
Electrochemistry Communications,<\/i> 65 (2016) 48-52<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.elecom.2016.02.003<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

11. Wind and solar hydrogen for the potential production of ammonia in the state of Ceara e Brazil<\/strong><\/h3>\n
N.B. Esteves, A. Sigal, E.P.M. Leiva, C.R. Rodr\u00edguez, F.S.A. Cavalcante, L.C. de Lima<\/strong><\/h6>\n
International Journal of Hydrogen Energy,<\/i> 40 (2015) 9917-9923<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.ijhydene.2015.06.044<\/a>\u00a0<\/span><\/strong><\/h6>\n

 <\/p>\n

10. Study of the natural resource and economic feasibility of the production and delivery of wind hydrogen in the province of Cordoba, Argentina<\/b><\/h3>\n
A. Sigal, M. Cioccale, C.R. Rodr\u00ed\u0301guez, E.P.M. Leiva<\/strong><\/h6>\n
International Journal of Hydrogen Energy,<\/i> 40 (2015) 4413-4425<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.ijhydene.2015.01.149<\/a><\/span><\/strong><\/h6>\n

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9. Photoinduced charge separation in organic-inorganic hybrid system: C60-containing electropolymer \/ CdSe-quantum dots<\/b><\/h3>\n
Manuel Otero, Thomas Dittrich, J\u00f6rg Rappich, Daniel A. Heredia, Fernando Fungo, Edgardo Durantini, Luis Otero<\/strong><\/h6>\n
Electrochimica Acta, <\/i>173 (2015) 316-322<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.electacta.2015.05.029<\/a><\/span><\/strong><\/h6>\n

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8. First-principles studies of lithium storage in reduced graphite oxide<\/strong><\/h3>\n
C.B. Robledo, M. Otero, G. Luque, O. C\u00e1mara, D. Barraco, M.I. Rojas, E.P.M. Leiva<\/strong><\/h6>\n
Electrochimica Acta,<\/i> 140 (2014) 232-237<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.electacta.2014.07.013<\/a>\u00a0<\/span><\/strong><\/h6>\n

 <\/p>\n

7. First-principles studies concerning optimization of hydrogen storage in nanoporous reduced graphite oxide<\/strong><\/h3>\n
C.B. Robledo, M.I. Rojas O. C\u00e1mara, E.P.M. Leiva<\/strong><\/h6>\n
International Journal of Hydrogen Energy,<\/i> 39 (2014) 4396-4403<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.ijhydene.2013.12.206<\/a><\/span><\/strong><\/h6>\n

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6. Comparative Study of Different Alkali (Na, Li) Titanate Substrates as Active Materials for Anodes of Lithium – Ion Batteries<\/strong><\/h3>\n
S. Chauque, C. B. Robledo, E. P. M. Leiva, F. Y. Oliva, O. R. C\u00e1mara<\/strong><\/h6>\n
ECS Transactions,<\/i> 63 (2014) 113-128<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1149\/06301.0113ecst<\/span><\/a><\/strong><\/h6>\n

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5. Assessment of the potential for hydrogen production from renewable resources in Argentina<\/b><\/h3>\n
A. Sigal, E.P.M. Leiva, C.R. Rodr\u00edguez<\/strong><\/h6>\n
International Journal of Hydrogen Energy,<\/i> 39 (2014) 8204-8214<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.ijhydene.2014.03.157<\/a>\u00a0<\/span><\/strong><\/h6>\n

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4. An experimental and theoretical approach on the effect of presence of oxygen in milled graphite as lithium storage material<\/strong><\/h3>\n
C.B. Robledo, J.E. Thomas, G. Luque, E.P.M. Leiva, O. C\u00e1mara, D. Barraco, A. Visintin<\/strong><\/h6>\n
Electrochimica Acta,<\/i> 140 (2014) 160-167<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.electacta.2014.05.117<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

3. A new model for the prediction of oxygen interference in hydrogen storage systems<\/b><\/h3>\n
A. Sigal, M. Villarreal, M.I. Rojas, E.P.M. Leiva<\/strong><\/h6>\n
International Journal of Hydrogen Energy,<\/i> 39 (2014) 5899-5905<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.ijhydene.2014.01.175<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

2. Is Hydrogen Storage Possible in Metal-Doped Graphite 2D Systems in Conditions Found on Earth?<\/b><\/h3>\n
A. Sigal, M. I. Rojas and E. P. M. Leiva<\/strong><\/h6>\n
Phys. Rev. Lett.,<\/em>\u00a0107 (2011) 158701<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1103\/PhysRevLett.107.158701<\/a><\/span><\/strong><\/h6>\n

 <\/p>\n

1. I<\/strong>nterferents for hydrogen storage on a graphene sheet decorated with nickel: A DFT study<\/b><\/h3>\n
A. Sigal, M.I. Rojas, E.P.M. Leiva<\/strong><\/h6>\n
International Journal of Hydrogen Energy,<\/em> 36 (2011) 3537-3546<\/strong><\/h6>\n
\u2192https:\/\/doi.org\/10.1016\/j.ijhydene.2010.12.024<\/a>\u00a0<\/span><\/strong><\/h6>\n

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