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Title: Nonlinear phase field model for electrodeposition in electrochemical systems

A nonlinear phase-field model has been developed for describing the electrodeposition process in electrochemical systems that are highly out of equilibrium. Main thermodynamic driving forces for the electrode-electrolyte interface (EEI) evolution are limited to local variations of overpotential and ion concentration. Application of the model to Li-ion batteries describes the electrode interface motion and morphology change caused by charge mass transfer in the electrolyte, an electrochemical reaction at the EEI and cation deposition on the electrode surface during the charging operation. The Li electrodeposition rate follows the classical Butler-Volmer kinetics with exponentially and linearly depending on local overpotential and cation concentration at the electrode surface, respectively. Simulation results show that the Li deposit forms a fiber-like shape and grows parallel to the electric field direction. The longer and thicker deposits are observed both for higher current density and larger rate constant where the surface reaction rate is expected to be high. The proposed diffuse interface model well captures the metal electrodeposition phenomena in plenty of non-equilibrium electrochemical systems.
Authors:
 [1] ;  [2] ;  [1]
  1. Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States)
  2. (United States)
Publication Date:
OSTI Identifier:
22395629
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 105; Journal Issue: 26; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CATIONS; CONCENTRATION RATIO; CURRENT DENSITY; ELECTRIC FIELDS; ELECTROCHEMISTRY; ELECTRODEPOSITION; ELECTRODES; ELECTROLYTES; EQUILIBRIUM; INTERFACES; LITHIUM IONS; MASS TRANSFER; METALS; MORPHOLOGY; NONLINEAR PROBLEMS; REACTION KINETICS; SURFACES