Related papers: Lithium-ion battery performance model including so…
We introduce a field-theoretic electrolyte model composed of structured solvent molecules and salt ions coupled by electrostatic and hard-core interactions. Within this explicit solvent theory, we characterize the salt-driven dielectric…
We assess the dielectrically consistent reference interaction site model (DRISM) as an implicit electrolyte framework for modeling the electrochemical double layer, and compare it with the Poisson-Boltzmann model and explicit molecular…
This paper considers one of the most commonly used equivalent circuit models (ECMs) for lithium-ion batteries and investigates the sensitivity of the model output to changes of model parameters using the Morris method. Experiments are…
Modeling of Li-ion cells is used in battery management systems (BMS) to determine key states such as state-of-charge (SoC), state-of-health (SoH), etc. Accurate models are also useful in developing a cell-level digital-twin that can be used…
We study conformational and electrophoretic properties of polyelectrolytes (PEs) in tetravalent salt solutions under the action of electric fields by means of molecular dynamics simulations. Chain conformations are found to have a sensitive…
To reduce the experimental validation workload for chemical researchers and accelerate the design and optimization of high-energy-density lithium metal batteries, we aim to leverage models to automatically predict Coulombic Efficiency (CE)…
The solid-state electrolyte is critical for achieving next-generation high energy density and high-safety batteries. Solid polymer electrolytes (SPEs) possess great potential for commercial application owing to their compatibility with the…
Fast charging of lithium-ion batteries remains a critical bottleneck for widespread adoption of electric vehicles and stationary energy storage systems, as improperly designed fast charging can accelerate battery degradation and shorten…
Electrophoretic (EP) mobility reversal is commonly observed for strongly charged macromolecules in multivalent salt solutions. This curious effect takes place, e.g., when a charged polymer, such as DNA, adsorbs excess counterions so that…
Charge unbalance is one of the key issues for series-connected Lithium-ion cells. Within this context, model-based optimization strategies have proven to be the most effective. In the present paper, an ad-hoc electrochemical model, tailored…
Liquid electrolytes in batteries are typically treated as macroscopically homogeneous ionic transport media despite having complex chemical composition and atomistic solvation structures, leaving a knowledge gap of microstructural…
The concept of green in a battery involves the chemical nature of electrodes and electrolytes as well as the economic sustainability of the cell. Although these aspects are typically discussed separately, they are deeply interconnected:…
This manuscript presents an algorithm for individual Lithium-ion (Li-ion) battery cell state of charge (SOC) estimation in a large-scale battery pack under minimal sensing, where only pack-level voltage and current are measured. For battery…
This study presents a comprehensive analysis of a two-level battery charger for electric vehicles, focusing on modeling, simulation, and performance evaluation. The proposed charger topology employs two switches operating complementarily,…
Conventional battery equivalent circuit models (ECMs) have limited capability to predict performance at high discharge rates, where lithium depleted regions may develop and cause a sudden exponential drop in the cell's terminal voltage.…
We study the electrokinetics of a single polyelectrolyte chain in salt solution using hydrodynamic simulations. The salt-dependent chain mobility compares well with experimental DNA data. The mobility of condensed counterions exhibits a…
The Doyle-Fuller-Newman (DFN) model is a common mechanistic model for lithium-ion batteries. The reaction rate constant and diffusivity within the DFN model are key parameters that directly affect the movement of lithium ions, thereby…
Advancements in lithium battery technology heavily rely on the design and engineering of electrolytes. However, current schemes for molecular design and recipe optimization of electrolytes lack an effective computational-experimental closed…
Fabricating electrochemical energy storage devices demands significant energy for drying cell components to ensure optimal performance. The development of new, water-tolerant materials would represent a tremendous advance in cost savings…
Solid-state batteries require electrolytes that sustain high ionic conductivity under the mechanical environment of a functioning cell. Lattice strain, arising from stack pressure, thermal cycling, or lattice mismatch at interfaces, can…