Publications

Results 76–100 of 164

Search results

Jump to search filters

Phase field modeling of solid electrolyte interface formation in lithium ion batteries

Journal of the Electrochemical Society

Deng, Jie D.; Wagner, Gregory J.; Muller, Richard P.

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. © 2013 The Electrochemical Society.

More Details
TYPE Conference YEAR 2013
OSTIScopus

A many-electron tight binding method for the analysis of quantum dot systems

Journal of Applied Physics

Nielsen, Erik N.; Rahman, Rajib R.; Muller, Richard P.

We present a method which computes many-electron energies and eigenfunctions by a full configuration interaction, which uses a basis of atomistic tight-binding wave functions. This approach captures electron correlation as well as atomistic effects, and is well suited to solid state quantum dot systems containing few electrons, where valley physics and disorder contribute significantly to device behavior. Results are reported for a two-electron silicon double quantum dot as an example. © 2012 American Institute of Physics.

More Details
TYPE Journal Article YEAR 2012
OSTIScopus

A phase field model of solid electrolyte interface formation in lithium-ion batteries

Materials Research Society Symposium Proceedings

Deng, Jie D.; Wagner, Gregory J.; Muller, Richard P.

A phase field model is developed to investigate the formation of a solid electrolyte interface layer on the anode surface in lithium-ion batteries. Numerical results show that the growth of solid electrolyte interface exhibits power-law scaling with respect to time, and the growth rate depends on various factors such as temperature, diffusivity of electrons, and rates of electrochemical reactions. © 2012 Materials Research Society.

More Details
TYPE Conference YEAR 2012
OSTIScopus
Results 76–100 of 164
Results 76–100 of 164