Density Functional Tight-Binding Model for Lithium–Silicon Alloys
Oviedo, María Belén, Fernandez, Francisco, Otero, Manuel, Leiva, Ezequiel P. M., Paz, Sergio Alexis
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.03.2023)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.03.2023)
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Transitions of lithium occupation in graphite: A physically informed model in the dilute lithium occupation limit supported by electrochemical and thermodynamic measurements
Mercer, Michael P., Otero, Manuel, Ferrer-Huerta, Miriam, Sigal, Agustín, Barraco, Daniel E., Hoster, Harry E., Leiva, Ezequiel P.M.
Published in Electrochimica acta (20.11.2019)
Published in Electrochimica acta (20.11.2019)
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Changes in electronic structure of graphene by adsorption of low melamine coverages
Pantano, Fernando R., Leiva, Ezequiel P.M., Rojas, Mariana I.
Published in Surface science (01.09.2022)
Published in Surface science (01.09.2022)
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Diversity of Behavior after Collisions of Sn and Si Nanoparticles Found Using a New Density Functional Tight-Binding Method
Ruderman, Andrés, Oviedo, María Belén, Paz, Sergio Alexis, Leiva, Ezequiel P. M.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.10.2023)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.10.2023)
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Non-covalent interactions at electrochemical interfaces: one model fits all?
Cabello, Gema, Leiva, Ezequiel P. M, Gutiérrez, Claudio, Cuesta, Angel
Published in Physical chemistry chemical physics : PCCP (21.07.2014)
Published in Physical chemistry chemical physics : PCCP (21.07.2014)
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Sodiation Of Hard Carbon: How Separating Enthalpy And Entropy Contributions Can Find Transitions Hidden In The Voltage Profile
Mercer, Michael Peter, Affleck, Sam, Gavilán‐Arriazu, Edgardo Maximiliano, Zülke, Alana Aragón, Maughan, Philip A., Trivedi, Shivam, Fichtner, Maximilian, Reddy Munnangi, Anji, Leiva, Ezequiel P. M., Hoster, Harry Ernst
Published in Chemphyschem (04.03.2022)
Published in Chemphyschem (04.03.2022)
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Improving the polysulfide barrier by efficient carbon nanofibers coating on separator/cathode for Li-S batteries
García-Soriano, Francisco J., Para, M. Laura, Luque, Guillermina L., Barraco, Daniel, Leiva, Ezequiel P. M., Lener, German
Published in Journal of solid state electrochemistry (01.10.2020)
Published in Journal of solid state electrochemistry (01.10.2020)
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Mechanochemically synthesized pyrite and its electrochemical behavior as cathode for lithium batteries
Primo, Emiliano N., Bracamonte, María V., Luque, Guillermina L., Bercoff, Paula G., Leiva, Ezequiel P. M., Barraco, Daniel E.
Published in Journal of solid state electrochemistry (2019)
Published in Journal of solid state electrochemistry (2019)
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