Papers

45. Improving the polysulfide barrier by efficient carbon nanofibers coating on separator/cathode for Li-S batteries

F. J. García-Soriano, M. L. Para, G. L. Luque, D. Barraco, E. P. M. Leiva & G. Lener
J. Solid State Electrochem. (2020)
→https://doi.org/10.1007/s10008-020-04749-1

 

44. A mapping of the physical and electrochemical properties of composite Lithium-ion batteries anodes made from graphite, Sn and Si

S. Smrekar, M. V. Bracamonte, E. N. Primo, G. L. Luque, J. Thomas, D. E. Barraco, E. Leiva.
Batteries & Supercaps
→https://doi.org/10.1002/batt.202000096

43. Ab initio calculations of lithium titanates related to anodes of lithium-ion batteries

S. Amaya-Roncancio, L. Reinaudi, S. Chauque, F. Y. Oliva, O. R. Cámara, E. P.M. Leiva b, M. C. Gimenez.
Journal of Physics and Chemistry of Solids 141 (2020) 109405
→https://doi.org/10.1016/j.jpcs.2020.109405

 

42. Enhanced energy storage of alkali (Li, Na) titanates by sucrose carbonization

S. Chauque, F.Y. Oliva, G. Lener, O. R. Cámara.
Journal of Solid State Electrochemistry 24 (2020) 1017
→https://doi.org/10.1007/s10008-020-04567-5

 

41. Standardless determination of nanometric thicknesses in stratified samples by electron probe microanalysis

G.D. Pereyra, F.Y. Oliva, N. Budini, G. Risso, P.D. Pérez, S. Suárez, J.C. Trincavelli.
Spectrochimica Acta Part B 171 (2020) 105932
→https://doi.org/10.1016/j.sab.2020.105932

 

40. Lithium Metal Protection by a Cross-Linked Polymer Ionic Liquid and Its Application in Lithium Battery

C. Calderón, Al. Vizintin, J. Bobnar, D. E. Barraco, E. Leiva, Ar. Visintin, S. Fantini, F. Fischer, and R. Dominko.
ACS Appl. Energy Mater. Just Accepted Manuscript (2020)
→https://doi.org/10.1021/acsaem.9b02309

 

39. Ab-initio calculations of Lithium titanates related to anodes of Lithium-ion bateries

S. Amaya-Roncancio, L. Reinaudi, S. Chauque, F. Oliva, O. Cámara, E. P. M. Leiva and M. C. Gimenez*.
Journal of Physics and Chemistry of Solids, 141 (2020) 109405.
→https://doi.org/10.1016/j.jpcs.2020.109405

 

38. Monte Carlo simulations and Cluster-exact Approximation applied to H/Cu(100), H/Ag(100) and O/Cu(100) systems

F. O. Sanchez-Varretti, E. V. Gómez, L. B. Avalle, F. M. Bulnes, M. C. Gimenez and A. J. Ramirez-Pastor.
Applied Surface Science, 500 (2020) 144034
→https://doi.org/10.1016/j.apsusc.2019.144034

 

37. Transitions of lithium occupation in graphite: A physically informed model in the dilute lithium occupation limit supported by electrochemical and thermodynamic measurements

M.P. Mercer, M. Otero, M. Ferrer-Huerta, A. Sigal, D.E. Barraco, H.E. Hoster, E.P.M. Leiva
Electrochimica Acta 324 (2019) 134774
→https://doi.org/10.1016/j.electacta.2019.134774

 

36. Study of the spontaneous oxidation of sodium in air by EPMA and Monte Carlo simulations

F.Y. Oliva, E.P.M. Leiva, G. Lener, D.E. Barraco, J.C. Trincavelli
Applied Surface Science 480 (2019) 1093–1099
→https://doi.org/10.1016/j.apsusc.2019.02.181

 

35. Percolation of hydrogen atoms adsorbed on Cu(100) surfaces: DFT, Monte Carlo and finite size scaling techniques

E. del Valle Gomez, L.B. Avalle, M.C. Gimenez
International Journal of Hydrogen Energy 44 (2019) 7083-7094
→https://doi.org/10.1016/j.ijhydene.2019.01.213

 

34. Modeling of substitutionally modified graphene structures to prevent the shuttle mechanism in lithium-sulfur batteries

P. Velez, M.L. Para, G.L. Luque, D. Barraco, E.P.M. Leiva
Electrochimica Acta 309 (2019) 402-414
→https://doi.org/10.1016/j.electacta.2019.04.062

 

33. Mechanochemically synthesized pyrite and its electrochemical behavior as cathode for lithium batteries

E.N. Primo, M.V. Bracamonte, G.L. Luque, P.G. Bercoff, E.P.M. Leiva, D.E. Barraco
Journal of Solid State Electrochemistry 23 (2019) 6, 1929–1938
→https://doi.org/10.1007/s10008-019-04294-6

 

32. Impact of alginate and fluoroethylene carbonate on the electrochemical performance of SiO – SnCoC anode for lithium-ion batteries

G.L. Luque,Y. Li, X. Zeng, X. Luo, E.P.M. Leiva, Z. Chen, K. Amine
Journal of Solid State Electrochemistry 23 (2019) 397–405
→https://doi.org/10.1007/s10008-018-4145-2

 

31. Capacity fading model for a solid electrolyte interface with surface growth

E.M. Perassi, E.P.M. Leiva
Electrochimica Acta 308 (2019) 418-425
→https://doi.org/10.1016/j.electacta.2019.03.202

 

30. Use of poly[ionic liquid] as a conductive binder in lithium ion batteries

S. Chauque, F.Y. Oliva, O.R. Cámara, R.M. Torresi
Journal of Solid State Electrochemistry 22 (2018) 3589 – 3596
→https://doi.org/10.1007/s10008-018-4078-9

 

29. The kinetic origin of the Daumas-Hérold model for the Li-ion/graphite intercalation system

E.M. Gavilán-Arriazu, O.A. Pinto, B.A. López de Mishima, D.E. Barraco, O.A. Oviedo, E.P.M. Leiva
Electrochemistry Communications 93 (2018) 133–137
→https://doi.org/10.1016/j.elecom.2018.07.004

 

28. On the effect of the carbonaceous substrate in the nucleation of Sn nanoparticles for Li-ion anodes: experiments and first principles calculations

S. Smrekar, M.E. Zoloff Michoff, J.E. Thomas, C.A. Calderón, L.M. Farigliano, A. Visintin, E.P.M. Leiva, D.E. Barraco
Journal of Solid State Electrochemistry 22 (2018) 1721
→https://doi.org/10.1007/s10008-017-3859-x

 

27. Grand Canonical Monte Carlo Study of Li Intercalation into Graphite

E.M. Gavilán-Arriazu, O.A. Pinto, B.A. López de Mishima, E.P.M. Leiva, O.A. Oviedo
Journal of The Electrochemical Society, 165 (2018) A2019-A2025
→https://doi.org/10.1149/2.1211809jes

 

26. Energetics of silica lithiation and its applications to lithium ion batteries

G. Lener, M. Otero, D.E. Barraco, E.P.M. Leiva
Electrochimica Acta 259 (2018) 1053-1058
→https://doi.org/10.1016/j.electacta.2017.10.126

 

25. Design-Considerations regarding SiliconGraphite  and TinGraphite Composite Electrodes for Lithium-Ion Batteries

M. Otero, C. Heim, E.P.M. Leiva, N. Wagner, A. Friedrich
Scientific Reports 8 (2018) 15851
→https://doi.org/10.1038/s41598-018-33405-y

 

24. A silica/carbon composite as anode for lithium-ion batteries with a large rate capability: Experiment and theoretical considerations

G. Lener, A.A. Garcia-Blanco, O. Furlong, M. Nazzarro, K. Sapag, D.E. Barraco, E.P.M. Leiva
Electrochimica Acta 279 (2018) 289-300
→https://doi.org/10.1016/j.electacta.2018.05.050

 

23. Statistical mechanical modeling of the transition Stage II-Stage I of Li-ion storage in graphite. A priori vs induced heterogeneity

M. Otero,  A. Sigal, E. M. Perassi, D. Barraco, E.P.M. Leiva.
Electrochimica Acta 245 (2017) 569-574
→http://dx.doi.org/doi:10.1016/j.electacta.2017.05.128

 

22. Shedding Light on the Entropy Change Found for the Transition Stage II→Stage I of Li-Ion Storage in Graphite

P. M. Leiva, E. Perassi, and D. Barraco.
Journal of The Electrochemical Society 164 (2017) 6154-6157 
→https://doi.org/10.1149/2.0231701jes

 

21. Lithium titanate as anode material for lithium ion batteries: Synthesis, post- treatment and its electrochemical response

S. Chauque, F.Y. Oliva, A. Visintin, D. Barraco, E.P.M. Leiva, O.R. Cámara
Journal of Electroanalytical Chemistry 799 (2017) 142-155
→https://doi.org/10.1016/j.jelechem.2017.05.052

 

20. Lithium dual uptake anode materials: crystalline Fe3O4 nanoparticles supported over graphite for lithium-ion batteries

M. Victoria Bracamonte, Emiliano N. Primo, Guillermina L. Luque, Lisandro Venosta, Paula G. Bercoff, Daniel E. Barraco
Electrochimica Acta 258 (2017) 192-199
→https://doi.org/10.1016/j.electacta.2017.10.034

 

19. Intercalation stage dependence of core electronic excitations in Li-intercalated graphite from inelastic X-ray scattering

G. E. Stutz,  M. Otero, S. A. Ceppi, C. B. Robledo, G. Luque, E. Leiva, and D. E. Barraco Díaz
Appl. Phys. Lett. 110  (2017) 253901
→https://doi.org/10.1063/1.4986922

 

18. Electrochemical comparison of LiFePO4 synthesized by a solid-state method using either microwave heating or a tube furnace

Cecilia A. Calderón, Jorge E. Thomas, German Lener, Daniel E. Barraco, Arnaldo Visintin
Journal of Applied Electrochemistry 47-10 (2017) 1179–1188
→https://doi.org/10.1007/s10800-017-1111-0

 

17. DFT study of adsorption and diffusion of atomic hydrogen on metal surfaces

Elizabeth del V.Gómez, Sebastián Amaya-Roncancio, Lucía B.Avalle, Daniel H.Linares, M. Cecilia Gimenez 
Applied Surface Science 420 (2017) 1-8
→https://doi.org/10.1016/j.apsusc.2017.05.032

 

16. Criticality of the phase transition on stage two in a lattice-gas model of a graphite anode in a lithium-ion battery

M. Gavilán Arriazu, B. A. López de Mishima, O. A. Oviedo, E. P. M. Leiva and O. A. Pinto
Phys. Chem. Chem. Phys. 19 (2017) 23138
→https://doi.org/10.1039/c7cp04253a

 

15. Communication—Large Electron-Hole Diffusion Lengths in Methylammonium Lead Triiodide Perovskite Films Prepared by an Electrochemical-Chemical Approach

Lorena Macor, Agustín Sigal, Thomas Dittrich, Jorg Rappich,  Luis Otero and Miguel Gervaldo
ECS Journal of Solid State Science and Technology, 6 (2017) 819-821 
→https://doi.org/10.1149/2.0181712jss

 

14. New kinetic insight into the spontaneous oxidation process of lithium in air by EPMA

Manuel Otero, German Lener, Jorge Trincavelli, Daniel Barraco, Marcelo Sandro Nazzarro, Octavio Furlong, Ezequiel Pedro Marcos Leiva
Applied Surface Science 383 (2016) 64–70
→https://doi.org/10.1016/j.apsusc.2016.04.060

 

13. First-Principles studies of silicon underpotential deposition on defective graphene and its relevance for lithium-ion battery materials

Laura Urquiza, Manuel Otero, Guillermina L. Luque, Daniel Barraco, Ezequiel P.M. Leiva
Electrochimica Acta 208 (2016) 92-101
→https://doi.org/10.1016/j.electacta.2016.05.001

 

12. A theoretical model to determine intercalation entropy and enthalpy: Application to lithium/graphite

Eduardo M. Perassi, Ezequiel P.M. Leiva 
Electrochemistry Communications 65 (2016) 48-52
→https://doi.org/10.1016/j.elecom.2016.02.003

 

11. Wind and solar hydrogen for the potential production of ammonia in the state of Ceara e Brazil

N.B. Esteves, A. Sigal, E.P.M. Leiva, C.R. Rodríguez, F.S.A. Cavalcante, L.C. de Lima
International Journal of Hydrogen Energy 40 (2015) 9917-9923
→https://doi.org/10.1016/j.ijhydene.2015.06.044 

 

10. Study of the natural resource and economic feasibility of the production and delivery of wind hydrogen in the province of Cordoba, Argentina

A. Sigal, M. Cioccale, C.R. Rodrí́guez, E.P.M. Leiva
International Journal of Hydrogen Energy 40 (2015) 4413-4425
→https://doi.org/10.1016/j.ijhydene.2015.01.149

 

9. Photoinduced charge separation in organic-inorganic hybrid system: C60-containing electropolymer / CdSe-quantum dots

Manuel Otero, Thomas Dittrich, Jörg Rappich, Daniel A. Heredia, Fernando Fungo, Edgardo Durantini, Luis Otero
Electrochimica Acta 173 (2015) 316-322
→https://doi.org/10.1016/j.electacta.2015.05.029

 

8. First-principles studies of lithium storage in reduced graphite oxide

C.B. Robledo, M. Otero, G. Luque, O. Cámara, D. Barraco, M.I. Rojas, E.P.M. Leiva
Electrochimica Acta 140 (2014) 232-237
→https://doi.org/10.1016/j.electacta.2014.07.013 

 

7. First-principles studies concerning optimization of hydrogen storage in nanoporous reduced graphite oxide

C.B. Robledo, M.I. Rojas O. Cámara, E.P.M. Leiva
International Journal of Hydrogen Energy 39 (2014) 4396-4403
→https://doi.org/10.1016/j.ijhydene.2013.12.206

 

6. Comparative Study of Different Alkali (Na, Li) Titanate Substrates as Active Materials for Anodes of Lithium – Ion Batteries

S. Chauque, C. B. Robledo, E. P. M. Leiva, F. Y. Oliva, O. R. Cámara
ECS Transactions 63 (2014) 113-128
→https://doi.org/10.1149/06301.0113ecst

 

5. Assessment of the potential for hydrogen production from renewable resources in Argentina

A. Sigal, E.P.M. Leiva, C.R. Rodríguez
International Journal of Hydrogen Energy 39 (2014) 8204-8214
→https://doi.org/10.1016/j.ijhydene.2014.03.157 

 

4. An experimental and theoretical approach on the effect of presence of oxygen in milled graphite as lithium storage material

C.B. Robledo, J.E. Thomas, G. Luque, E.P.M. Leiva, O. Cámara, D. Barraco, A. Visintin
Electrochimica Acta 140 (2014) 160-167
→https://doi.org/10.1016/j.electacta.2014.05.117

 

3. A new model for the prediction of oxygen interference in hydrogen storage systems

A. Sigal, M. Villarreal, M.I. Rojas, E.P.M. Leiva
International Journal of Hydrogen Energy 39 (2014) 5899-5905
→https://doi.org/10.1016/j.ijhydene.2014.01.175

 

2. Is Hydrogen Storage Possible in Metal-Doped Graphite 2D Systems in Conditions Found on Earth?

A. Sigal, M. I. Rojas and E. P. M. Leiva
Phys. Rev. Lett. 107 (2011) 158701
→https://doi.org/10.1103/PhysRevLett.107.158701

 

1. Interferents for hydrogen storage on a graphene sheet decorated with nickel: A DFT study

A. Sigal, M.I. Rojas, E.P.M. Leiva
International Journal of Hydrogen Energy 36 (2011) 3537-3546
→https://doi.org/10.1016/j.ijhydene.2010.12.024