A Multiscale Model of Electrochemical Double Layers in Energy Conversion and Storage Devices
暂无分享,去创建一个
Alejandro A. Franco | Trong-Khoa Nguyen | Kan-Hao Xue | Matias A. Quiroga | He Huang | K. Xue | A. Franco | M. Quiroga | Trong-Khoa Nguyen | M. Tulodziecki | He Huang | Michal Tulodziecki
[1] J. Kirkwood. Theoretical Studies upon Dipolar Ions. , 1939 .
[2] K. E. Newman. Kirkwood–Buff solution theory: derivation and applications , 1994 .
[3] Andrew B. Bocarsly,et al. Silicon Oxide Nafion Composite Membranes for Proton-Exchange Membrane Fuel Cell Operation at 80-140°C , 2002 .
[4] J. Tarascon,et al. New electrolyte compositions stable over the 0 to 5 V voltage range and compatible with the Li1+xMn2O4/carbon Li-ion cells , 1994 .
[5] Aleš Iglič,et al. Generalized stern models of the electric double layer considering the spatial variation of permittvity and finite size of ions in saturation regime , 2011, Cellular & Molecular Biology Letters.
[6] M. Bazant,et al. Asymptotic Analysis of Diffuse-Layer Effects on Time-Dependent Interfacial Kinetics , 2000, cond-mat/0006104.
[7] M. A. Vorotyntsev,et al. Aspects of conductivity and space charge phenomena in solid electrolytes , 1978 .
[8] P. Berg,et al. Effects of Finite-size Ions and Relative Permittivity in a Nanopore Model of a Polymer Electrolyte Membrane , 2014 .
[9] Martin Z. Bazant,et al. Diffuse Charge Effects in Fuel Cell Membranes , 2009 .
[10] Martin Z Bazant,et al. Surface conservation laws at microscopically diffuse interfaces. , 2007, Journal of colloid and interface science.
[11] Alejandro A. Franco,et al. Multiscale modelling and numerical simulation of rechargeable lithium ion batteries: concepts, methods and challenges , 2013 .
[12] M. Bazant,et al. Steric effects in the dynamics of electrolytes at large applied voltages. II. Modified Poisson-Nernst-Planck equations. , 2006, Physical review. E, Statistical, nonlinear, and soft matter physics.
[13] A. T. Conlisk,et al. A lithium-ion battery model including electrical double layer effects , 2014 .
[14] M. Bazant,et al. Steric effects in the dynamics of electrolytes at large applied voltages. I. Double-layer charging. , 2006, Physical review. E, Statistical, nonlinear, and soft matter physics.
[15] T. Fuller,et al. A Historical Perspective of Fuel Cell Technology in the 20th Century , 2002 .
[16] Kang Xu,et al. Nonaqueous liquid electrolytes for lithium-based rechargeable batteries. , 2004, Chemical reviews.
[17] C. Pomelli,et al. Ionic liquids: Solvation ability and polarity , 2009 .
[18] H. Orland,et al. Dielectric constant of ionic solutions: a field-theory approach. , 2012, Physical review letters.
[19] Nir Ben-Tal,et al. Statistical mechanics of a Coulomb gas with finite size particles: A lattice field theory approach , 1995 .
[20] M. Ciureanu,et al. PEM fuel cells as membrane reactors: kinetic analysis by impedance spectroscopy , 2003 .
[21] I. Rouzina,et al. Influence of Ligand Spatial Organization on Competitive Electrostatic Binding to DNA , 1996 .
[22] Sebastian Doniach,et al. Evaluation of ion binding to DNA duplexes using a size-modified Poisson-Boltzmann theory. , 2007, Biophysical journal.
[23] A. N. Frumkin,et al. The Double Layer in Electrochemistry , 1960 .
[24] D. Aurbach,et al. On the use of vinylene carbonate (VC) as an additive to electrolyte solutions for Li-ion batteries , 2002 .
[25] Ursula van Rienen,et al. Langevin Poisson-Boltzmann equation: point-like ions and water dipoles near a charged surface. , 2011, General physiology and biophysics.
[26] Alejandro A. Franco,et al. Carbon-Based Electrodes for Lithium Air Batteries: Scientific and Technological Challenges from a Modeling Perspective , 2013 .
[27] E. Hasselbrink,et al. Zeta potential of microfluidic substrates: 1. Theory, experimental techniques, and effects on separations , 2004, Electrophoresis.
[28] Alejandro A. Franco,et al. Impact of the Cathode Microstructure on the Discharge Performance of Lithium Air Batteries: A Multiscale Model , 2014 .
[29] L. Pollack,et al. Physics and Astronomy Faculty Publications Physics and Astronomy Spatial Distribution of Competing Ions around Dna in Solution , 2022 .
[30] A. Frumkin,et al. Wasserstoffüberspannung und Struktur der Doppelschicht , 1933 .
[31] P. Taberna,et al. On the molecular origin of supercapacitance in nanoporous carbon electrodes. , 2012, Nature materials.
[32] M. A. Vorotyntsev,et al. Nonlocal dielectric response of the electrode/solvent interface in the double layer problem , 1981 .
[33] É. Itskovich,et al. Electric current across the metal–solid electrolyte interface I. Direct current, current–voltage characteristic , 1977 .
[34] J. Kirkwood,et al. The Statistical Mechanical Theory of Solutions. I , 1951 .
[35] P. Bruce,et al. A Reversible and Higher-Rate Li-O2 Battery , 2012, Science.
[36] Fan Yang,et al. Dynamic diffuse double-layer model for the electrochemistry of nanometer-sized electrodes. , 2006, The journal of physical chemistry. B.
[37] Bernhard Maschke,et al. A Dynamic Mechanistic Model of an Electrochemical Interface , 2006 .
[38] Y. C. Zhou,et al. Poisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes II: size effects on ionic distributions and diffusion-reaction rates. , 2011, Biophysical journal.
[39] Laurent Pilon,et al. Simulations of Cyclic Voltammetry for Electric Double Layers in Asymmetric Electrolytes: A Generalized Modified Poisson–Nernst–Planck Model , 2013, The Journal of Physical Chemistry C.
[40] P. Taberna,et al. High temperature carbon–carbon supercapacitor using ionic liquid as electrolyte , 2007 .
[41] Sanjeev Mukerjee,et al. Influence of Nonaqueous Solvents on the Electrochemistry of Oxygen in the Rechargeable Lithium−Air Battery , 2010 .
[42] A. Franco,et al. Microstructure-based modeling of aging mechanisms in catalyst layers of polymer electrolyte fuel cells. , 2011, The journal of physical chemistry. B.
[43] O. Petrii,et al. Potentials of zero total and zero free charge of platinum group metals , 1975 .
[44] Incorporation of excluded-volume correlations into Poisson-Boltzmann theory. , 2005, Physical review. E, Statistical, nonlinear, and soft matter physics.
[45] J. Tomasi,et al. Quantum mechanical continuum solvation models. , 2005, Chemical reviews.
[46] C. Jallut,et al. A Multi‐Scale Dynamic Mechanistic Model for the Transient Analysis of PEFCs , 2007 .
[47] N. Marković,et al. Three Phase Interfaces at Electrified Metal−Solid Electrolyte Systems 1. Study of the Pt(hkl)−Nafion Interface , 2010 .
[48]
John B. Goodenough,et al.
LixCoO2 (0
[49] Frederick J. Milford,et al. Foundations of Electromagnetic Theory , 1961 .
[50] Andrzej Anderko,et al. Computation of dielectric constants of solvent mixtures and electrolyte solutions , 2001 .
[51] Daniel P. Abraham,et al. Atomistic Modeling of the Electrode–Electrolyte Interface in Li-Ion Energy Storage Systems: Electrolyte Structuring , 2013 .
[52] Mario Blanco,et al. Computational Study of the Mechanisms of Superoxide-Induced Decomposition of Organic Carbonate-Based Electrolytes , 2011 .
[53] C. Jallut,et al. A multiscale physical model of a polymer electrolyte membrane water electrolyzer , 2013 .
[54] Brian E. Conway,et al. The dielectric constant of the solution in the diffuse and Helmholtz double layers at a charged interface in aqueous solution , 1951 .
[55] H. Orland,et al. Steric Effects in Electrolytes: A Modified Poisson-Boltzmann Equation , 1997, cond-mat/9803258.
[56] Philippe Sautet,et al. A multiscale theoretical methodology for the calculation of electrochemical observables from ab initio data: Application to the oxygen reduction reaction in a Pt(111)-based polymer electrolyte membrane fuel cell , 2011 .
[57] David Andelman,et al. Dipolar Poisson-Boltzmann equation: ions and dipoles close to charge interfaces. , 2007, Physical review letters.
[58] Jason Graetz,et al. Conversion reaction mechanisms in lithium ion batteries: study of the binary metal fluoride electrodes. , 2011, Journal of the American Chemical Society.