Source: http://modeling-electrochemistry.com/publications/papers-in-international-journals/
Timestamp: 2019-04-19 22:52:28+00:00

Document:
[ART-063] A.A. Franco, A. Rucci, P. Jankowski, D. Brandell, C. Frayret, M. Gaberscek, P. Johansson, "Boosting Rechargeable Batteries from Multiscale Modeling: Myth or Reality?", Chemical Reviews, proposal accepted (2017) and full review submitted (2018).
[ART-062] C. Gaya, Y. Yin, A. Torayev, Y. Mammeri, A.A. Franco, "Investigation of bi-porous electrodes for lithium oxygen batteries", Electrochimica Acta, 279 (2018) 118.
[ART-061] A. Torayev, A. Rucci, P. Magusin, A. Demortière, V. De Andrade, C. Grey, C. Merlet, A.A.Franco, "Stochasticity of Pores Interconnectivity in Lithium Oxygen Batteries and Its Impact on the Variations in Electrochemical Performance ", J. Phys. Chem. Letters, 9 (4) (2018) 791.
Link to the article in the journal webpage.
[ART-060] A. Ngandjong, A. Rucci, M. Maiza, G. Shukla, J. Vazquez-Arenas, A.A. Franco, "Towards A Multiscale Simulation Platform Linking Lithium Ion Battery Electrode Fabrication Process With Performance At The Cell Level", J. Phys. Chem. Letters, 8 (23) (2017) 5966.
[ART-059] Y. Yin, R. Zhao, R. Lelong, J. Ciger, A.A. Franco, "An Interactive and Immersive Virtual Reality Game for Teaching Electrochemical Energy Conversion and Storage", J. Chem. Education, submitted (2017).
[ART-058] Y. Yin, A. Torayev, C. Gaya, Y. Mammeri, A.A. Franco, "Linking the Performances of Li-O2 Batteries to Discharge Rate, Electrode and Electrolyte Properties through the Nucleation Mechanism of Li2O2", Journal of Physical Chemistry C, 121 (36) (2017) 19577.
[ART-057] G. Shukla, D. Del Olmo Diaz, V. Thangavel, A.A. Franco, "Self-organization of Electroactive Suspensions in Discharging Slurry Batteries: A Mesoscale Modeling Investigation", ACS Applied Materials and Interfaces, 9(21) (2017) 17882.
[ART-056] L.F. Lopes Oliveira, A.A. Franco, C. Jallut, D. Loffreda, "Water Adsorption on Transition Metal Oxide Pure IrO2, RuO2 and Alloy RuxIr1-xO2 (110) Surfaces Investigated by Density Functional Theory", Journal of Physical Chemistry C, submitted (2017).
[ART-055] Y. Yin, R. Zhao, Y. Deng, A.A. Franco, "Compactness of Lithium Peroxide Formed in Li-O2 Batteries and Its Link To Charge Transport Mechanism: Insights from Stochastic Simulations", J. Phys. Chem. Letters, 8(3) (2017) 599.
[ART-054] J.P. Chehab, A.A. Franco, Y. Mammeri, "Boundary control of the number of interfaces for the one-dimensional Allen-Cahn equation", Discrete and Continuous Dynamical Systems - Series S, 10 (1) (2017) 87.
[ART-053] V. Thangavel, K.H. Xue, Y. Mammeri, M.A. Quiroga, C. Guery, A. Mastouri, P. Johansson, M. Morcrette, A.A. Franco, "A microstructurally resolved model for Li-S batteries assessing the impact of the cathode design on the discharge performance", J. Electrochem. Soc., 163 (13) (2016) A2817.
[ART-052] Y. Yin, C. Gaya, V. Thangavel, A. Torayev, A.A. Franco, "Impact of Li2O2 Particle Size on Li-O2 Battery Charge Process: Insights from a Multi-Scale Modeling Perspective", J. Phys. Chem. Letters, 7 (19) (2016) 3897.
[ART-051] J. Vazquez-Arenas, G. Ramos-Sanchez, A.A. Franco, "A multi-scale model to account for the electrochemical response of the oxygen reduction reaction on highly active graphene nanosheets in alkaline conditions", Journal of Power Sources, 328 (2016) 492.
[ART-050] G. Blanquer, Y. Yin, M.A. Quiroga, A.A. Franco, "Modeling Investigation of the Local Electrochemistry in Lithium-O2 Batteries: a Kinetic Monte Carlo Approach", J. Electrochem. Soc., 163 (3) (2016) A329.
[ART-049] R. Ferreira de Morais, A.A. Franco, P. Sautet, D. Loffreda, "How Does the Surface Structure of Pt-Ni Alloys Control Water and Hydrogen Peroxide Formation?", ACS Catalysis, 6 (9) (2016) 5641.
[ART-048] M.A. Quiroga, K. Malek, A.A. Franco, "A multi-paradigm modeling investigation of membrane chemical degradation in PEM Fuel Cells", J. Electrochem. Soc., 163 (2) (2016) F59.
[ART-047] S.K. Cheah, V. Bernardet, A.A. Franco, O. Lemaire, P. Gelin, "Effects of Structure and Surface Coverage on CO Oxidation Reaction on Carbon-Supported Pt Nanoparticles by Quadrupole Mass Spectrometry and Diffuse Reflectance FTIR Spectroscopy", Phys. Chem. Chem. Phys., 18 (2016) 15278.
[ART-046] T. Jahnke, G. Futter, A. Latz, T. Malkow, G. Papakonstantinou, G. Tsotridis, A.A. Franco et al., "Performance and degradation of Proton Exchange Membrane Fuel Cells: State of the art in modeling from atomistic to system scale", J. Power Sources, 304 (2016) 207.
[ART-045] M.A. Quiroga, A.A. Franco, "A multi-paradigm computational model of materials electrochemical reactivity for energy conversion and storage", J. Electrochem. Soc., 162 (7) (2015) E73.
[ART-044] K. H. Xue, E. McTurk, L. Johnson, P.G. Bruce, A.A. Franco, "A comprehensive model for non-aqueous lithium air batteries involving different reaction mechanisms", J. Electrochem. Soc., 162 (4) (2015) A614.
[ART-043] K.H. Xue, L.R.C. Fonseca, A.A. Franco, "Conductivity of Li2O and Li2S grain boundaries: a theoretical study", Physical Review B, submitted (2015).
[ART-042] R. F. de Morais, A.A. Franco, P. Sautet, D. Loffreda, "Interplay between reaction mechanisms and hydroxyl species for water formation on Pt(111)", ACS Catalysis, 5 (2015) 1068.
[ART-041] D. D. Borges, A.A. Franco, K. Malek, G. Gebel, S. Mossa, "Morphology of supported Polymer Electrolyte ultra-thin films: a numerical study", Journal of Physical Chemistry C, 119 (2015) 1201.
[ART-040] R. F. de Morais, A.A. Franco, P. Sautet, D. Loffreda, "Coverage-dependent thermodynamics analysis of the formation of water and hydrogen peroxide on platinum model catalyst", Phys. Chem. Chem. Phys., 17 (2015) 11392-11400.
[ART-039] D. Gentilini, A. Gagliardi, A.A. Franco, F. Sauvage, A. Di Carlo, "A drift-diffusion study on charge unbalancing effects in Dye-Sensitized Solar Cells", Journal of the Electrochemical Society, 162 (10) (2015) H753-H758.
Copyright (2015) The Electrochemical Society. This article may be downloaded for personal use only.
[ART-038] M. Quiroga, K.H. Xue, T.K. Nguyen, H. Huang, M. Tulodziecki, A.A. Franco, "A multiscale model of electrochemical double layers in energy conversion and storage", Journal of the Electrochemical Society, 161 (8) (2014) E3302-E3310.
Copyright (2014) The Electrochemical Society. This article may be downloaded for personal use only.
[ART-037] S. Strahl, A. Husar, A.A. Franco, "Electrode structure effects on the performance of open-cathode Proton Exchange Membrane Fuel Cells: a multiscale modeling approach", International Journal of Hydrogen Energy, 39 (18) (2014) 9752-9767.
[ART-036] K.H. Xue, T.K. Nguyen, A.A. Franco, "Impact of the cathode microstructure on the discharge performance of lithium air batteries: a multiscale model", Journal of the Electrochemical Society, 161 (8) (2014) E3028-E3035.
[ART-035] A.A. Franco, K.H. Xue, "Carbon-based electrodes for lithium air batteries: scientific and technological challenges from a modeling perspective", ECS Journal of Solid State Science and Technology, 2 (10) (2013) M3084.
Copyright (2013) The Electrochemical Society. This article may be downloaded for personal use only.
[ART-034] A.A. Franco, Multiscale modeling and numerical simulation of rechargeable lithium ion batteries: concepts, methods and challenges, RSC Advances, 3 (32) (2013) 13027-13058.
[ART-033] S.K. Cheah, V. Bernadet, A.A. Franco, O. Lemaire, P. Gelin, “Study of CO and hydrogen interactions on carbon-supported Pt nanoparticles by quadrupole mass spectrometry and operando diffuse reflectance FTIR spectroscopy”, Journal of Physical Chemistry C, 117 (44) (2013) 22756.
[ART-032] C. Robin, M. Gerard, A. A. Franco, P. Schott, “Multi-scale coupling between two dynamical models for PEMFC aging prediction”, International Journal of Hydrogen Energy, 38 (2013) 4675.
[ART-031] D. Damasceno Borges, A.A. Franco, K. Malek, G. Gebel, S. Mossa,"Inhomogeneous transport in model hydrated polymer electrolyte supported ultrathin films", ACS Nano, 7 (8) (2013) 6767.
[ART-030] M. El Hannach, T. Soboleva, K. Malek, A.A. Franco, M.Prat, J. Pauchet, S. Holdcroft, “Characterization of pore network structure in catalyst layers of polymer electrolyte fuel cells”, J. Power Sources, 247 (2014) 322.
[ART-029] S. Dhurairajan, P. Giunta, V. Vetere, P. Maldivi, A.A. Franco, “Efficient and cyclic hydrogen evolution reaction mechanism on [Ni(PH2NH2)2]2+ catalysts: a theoretical and multiscale simulation study”, RSC. Adv., 4 (2014) 5177.
[ART-028] A.A. Franco, “A multiscale modeling framework for the numerical simulation of electrochemical devices for energy storage”, ECS Transactions, 45 (2013) 11.
[ART-027] D. Damasceno Borges, K. Malek, S. Mossa, G. Gebel, A.A. Franco,“Effect of Surface Hydrophilicity on the Formation of Nafion Thin Film Inside PEMFC Catalyst Layers: A Computational Study”, ECS Trans., 45 (2013) 101.
[ART-026] L.F. Lopes Oliveira, C. Jallut, A.A. Franco, “A multiscale model for the transient analysis of PEM Water Electrolyzer Membrane-Electrodes Assemblies”, Electrochimica Acta, 110 (2013) 363.
[ART-025] L.F. Lopes Oliveira, S. Laref, E. Mayousse, C. Jallut, A.A. Franco, "A multiscale physical model for the transient analysis of PEM Water Electrolyzer Anodes", Phys. Chem. Chem. Phys.,14 (2012)10215.
[ART-024] S.K. Cheah, O. Sycardi, L. Guetaz, O. Lemaire, P. Gelin, A.A. Franco, "CO impact on the stability properties of PtxCoy nanoparticles in PEMFC anodes: mechanistic insights from a combined experimental and modeling approach", J. Electrochem. Soc., 158 (11) (2011) B1358.
[ART-023] K. Malek, A.A. Franco, "Microstructural resolved modeling of aging mechanisms in PEMFC", J. Phys. Chem. B, 115 (25) (2011) 8088.
[ART-022] R. Ferreira de Morais, D. Loffreda, P. Sautet, A. A. Franco, “A Multi-scale Modeling Methodology to predict electrochemical observables from ab initio data: application to the ORR in a Pt(111)-based PEMFC", Electrochim. Acta, 56 (28) (2011) 10842 (paper invited).
[ART-021] V. Parry, J-C. Joud, G. Berthomé, O. Lemaire, A. A. Franco, “XPS investigation of the PEMFC active layers aging: characterization of the mitigating role of an anodic CO contamination on cathode degradation”, J. Power Sources, 196 (5) (2011) 2530.
[ART-020] M. P. Eschenbach, R. Coulon, A. A. Franco, J. Kallo, W. G. Bessler, “Multi-scale simulation of fuel cells: from the cell to the system”, Solid State Ion., 192 (1) (2011) 615.
[ART-019] A. Kachmar, V. Vetere, P. Maldivi, A. A. Franco, “Bio-inspired materials for H2 production: multi-scale mechanistic modeling of the underlying electrocatalytic processes”, J. Phys. Chem. A,114 (43) (2010) 11861.
[ART-018] M. A. Gabriel, T. Deustch, L. Genovese, G. Krosnicki, O. Lemaire, A. A. Franco, “Metallofullerenes as fuel cell electrocatalysts: a theoretical investigation of adsorbates on C59Pt”, Phys. Chem. Chem. Phys., 12 (2010) 9406.
[ART-017] M. A. Gabriel, T. Deustch, A. A. Franco, “Fullerene-based Materials as Catalysts for Fuel Cells”, ECS Trans., 25 (22) (2010) 1.
[ART-016] R. Coulon, W. Bessler, A. A. Franco, “Modeling chemical degradation of a Polymer Electrolyte Membrane and its impact on Fuel Cell performance", ECS Trans., 25 (35) (2010) 259.
[ART-015] S-K.Cheah, O. Lemaire, P. Gélin, A. A. Franco, “CO Induced Reconstruction of PtxCoy Electrocatalytic Nanoparticles in a PEM Fuel Cell Anode under transportation Operating Conditions”, ECS Trans., 25 (35) (2010) 275.
[ART-014] R. Ferreira de Morais, D. Loffreda, P. Sautet, A. A. Franco, “Towards a Multi-scale Modeling Methodology for the Prediction of the Electro-activity of PEM Fuel Cell Catalysts”, ECS Trans., 25 (24) (2010) 167.
[ART-013] P. Fugier, S. Passot, N. Guillet, L. Guetaz, E. De Vito, S. Mailley, A.A. Franco, “PtxCoy catalysts degradation in PEFC environments: Mechanistic insights – Part II: MOCVD elaboration and electrochemical characterization”, J. Electrochem. Soc., 157 (6) (2010) B943.
[ART-012] A. A. Franco, S. Passot, P.Fugier, E. Billy, N. Guillet, L. Guetaz, E. De Vito, S. Mailley, “PtxCoy catalysts degradation in PEFC environments: Mechanistic insights – Part I: Multi-scale modeling”, J. Electrochem. Soc., 156 (2009) B410.
[ART-011] A. A. Franco, R. Coulon, R. Ferreira de Morais, S.-K.Cheah, A. Kachmar, M. A. Gabriel, “Multi-scale modeling-based prediction of PEM Fuel Cells MEA durability under automotive operating conditions", ECS Trans., 25 (1) (2009) 65.
[ART-010] A. A. Franco, B. Barthe, L. Rouillon, O. Lemaire, “Mechanistic investigations of NO2 impact on ORR in PEM Fuel Cells: a coupled experimental and multi-scale modeling approach", ECS Trans., 25 (1) (2009) 1595.
[ART-009] A.A. Franco, M. Guinard, B. Barthe, O. Lemaire, “Impact of carbon monoxide on PEFC catalyst carbon support degradation under current-cycled operating conditions”, Electrochim. Acta, 54 (22) (2009) 5267.
[ART-008] P. M. Biesheuvel, A.A. Franco, M. Z. Bazant, “Diffuse charge effects in Fuel Cell membranes”, J. Electrochem.Soc., 156 (2) (2009) B225.
[ART-007] A. A. Franco, S. Passot, P. Fugier, E. Billy, N. Guillet, L. Guetaz, E. De Vito, S. Mailley, “Transient multi-scale modeling of PtxCoy catalysts degradation in PEFC environments”, ECS Trans., 13 (17) (2008) 29.
[ART-006] A.A. Franco, B. Barthe, M. Gerard, M. Guinard, O. Lemaire, “Carbon catalyst-support corrosion in Polymer Electrolyte Fuel Cells: mechanistic insights”, ECS Trans., 13 (15) (2008) 35.
[ART-005] A.A. Franco, M. Gerard, “Transient model of carbon catalyst-support corrosion in a PEFC: multi-scale coupling with electro-catalysis and impact on performance degradation”, J. Electrochem. Soc., 155 (4) (2008) B367.
[ART-004] A.A. Franco, “Transient multi-scale modeling of aging mechanisms in a Polymer Electrolyte Fuel Cell: an irreversible thermodynamics approach”, ECS Trans.6 (10) (2007) 1.
[ART-003] A.A. Franco, M. Tembely, “Transient multi-scale model of aging mechanisms in a PEFC cathode”, J. Electrochem.Soc., 154 (7) (2007) B712.
[ART-002] A.A. Franco, P. Schott, C. Jallut, B. Maschke, ”A multi-scale dynamic mechanistic model for transient analysis of PEFC”, Fuel Cells, 7 (2007) 99.
[ART-001] A.A. Franco, P. Schott, C. Jallut, B. Maschke,”A dynamic mechanistic model of an electrochemical interface”, J. Electrochem.Soc., 153 (6) (2006) A1053.

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