A phase field model of electrochemical impedance spectroscopy

Gathright, William; Jensen, Michael K.; Lewis, D.

doi:10.1007/s10853-011-5930-9

Cited by 10 publications

(3 citation statements)

References 23 publications

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“…34 Previously several phase field models have been developed to simulate electrochemical processes. [35][36][37][38][39][40] For instance, Shibuta et al 35 built a phase field model for an electrodeposition process, and Pongsaksawad et al 36 applied a phase field model to study the cathode shape and topology change in transport-limited electrolysis. Guyer et al 37,38 proposed a phase field model that captures the charge separation at the electrochemical interface and analyzed the conditions for electrodeposition and electrodissolution processes.…”

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Phase Field Modeling of Solid Electrolyte Interface Formation in Lithium Ion Batteries

Deng

Wagner

Muller

2013

J. Electrochem. Soc.

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A phase field model is presented to capture the formation of a solid electrolyte interface (SEI) layer on the anode surface in lithium ion batteries. In this model, the formation of an SEI layer is treated as a phase transformation process where the electrolyte phase is transformed to the SEI phase due to electrochemical reactions at the SEI/electrolyte interface during SEI growth. Numerical results show that SEI growth exhibits a power-law scaling with respect to time and is limited by the diffusion of electrons across the SEI layer. It is found that during SEI growth, the gradients of both electric potential and concentrations of species are built inside of the SEI layer, and the charge separation at the SEI/electrolyte interface remains with decreasing charge density at the interfacial region. The effects of various factors such as initial conditions, electron diffusivity, SEI formation rate, applied current density and temperature on the SEI growth rate and the distribution of electric potential and concentrations of species are investigated. The capabilities of the present model and its extension are also discussed.

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“…Guyer et al 37,38 proposed a phase field model that captures the charge separation at the electrochemical interface and analyzed the conditions for electrodeposition and electrodissolution processes. Gathright et al 39,40 extended the model in 37, 38 to study the electrochemical impedence spectroscopy behavior.…”

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Phase Field Modeling of Solid Electrolyte Interface Formation in Lithium Ion Batteries

Deng

Wagner

Muller

2013

J. Electrochem. Soc.

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“…Han et al first applied the phase-field model to intercalation process in a Li-ion battery with a regular solution model for LiFePO 4 . Various electrochemical processes such as electrodeposition and electrochemical impedance spectroscopy, − and phase separation in LiFePO 4 nanoparticles , have also been simulated using phase-field models. Very recently, intercalation dynamics, , the effect of elastic energy, electrode porosity, and phase transformations on intercalation dynamics have been incorporated consistently in phase-field models.…”

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Mesoscale Phase-Field Modeling of Charge Transport in Nanocomposite Electrodes for Lithium-Ion Batteries

Rosso

et al. 2012

J. Phys. Chem. C

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A phase-field model is developed to investigate the influence of microstructure, thermodynamic and kinetic properties, and charging conditions on charged particle transport in nanocomposite electrodes. Two sets of field variables are used to describe the microstructure. One is comprised of the order parameters describing size, orientation, and spatial distributions of nanoparticles, and the other is comprised of the concentrations of mobile species. A porous nanoparticle microstructure filled with electrolyte is taken as a model system to test the phase-field model. Inhomogeneous and anisotropic dielectric constants and mobilities of charged particles, and stresses associated with lattice deformation due to Li-ion insertion/extraction, are considered in the model. Iteration methods are used to find the elastic and electric fields in an elastically and electrically inhomogeneous medium. The results demonstrate that the model is capable of predicting charge separation associated with the formation of a double layer at the electrochemical interface between solid and electrolyte, and the effect of microstructure, inhomogeneous and anisotropic thermodynamic and kinetic properties, charge rates, and stresses on voltage versus current density and capacity during charging and discharging.

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