Phase-field Simulation of Lithium Ion Diffusion in Solid Electrolyte Interphase

Guan, Pengjian; Liu, Lin

doi:10.1149/06609.0081ecst

Cited by 11 publications

(12 citation statements)

References 41 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Electrodeposition and dendrite growth In Li-ion batteries, the formation of Li dendrite during charging processes is one of the main obstacles in their widespread application, which will result in decrease of reversible capacity and an internal short circuit 28,73 . Upon Li deposition, the surface of the electrode particles usually cracks due to volumetric expansion, and new Li is exposed for further reactions 74,75 .…”

Section: Stress Evolution and Fracturementioning

confidence: 99%

Application of phase-field method in rechargeable batteries

Wang

Zhang

et al. 2020

npj Comput Mater

View full text Add to dashboard Cite

Rechargeable batteries have a profound impact on our daily life so that it is urgent to capture the physical and chemical fundamentals affecting the operation and lifetime. The phase-field method is a powerful computational approach to describe and predict the evolution of mesoscale microstructures, which can help to understand the dynamic behavior of the material systems. In this review, we briefly introduce the theoretical framework of the phase-field model and its application in electrochemical systems, summarize the existing phase-field simulations in rechargeable batteries, and provide improvement, development, and problems to be considered of the future phase-field simulation in rechargeable batteries.

show abstract

Section: Stress Evolution and Fracturementioning

confidence: 99%

Application of phase-field method in rechargeable batteries

Wang

Zhang

et al. 2020

npj Comput Mater

View full text Add to dashboard Cite

show abstract

“…Since a SEI is chemically active and dynamic during the charging and discharging phases, it is quite difficult to understand the driving mechanisms of Li-ion transport through in situ experimental studies. In this scenario, the ab initio tools, mainly density functional theory (DFT)-based computing schemes, are more fruitful. − Other computational schemes such as phase field modeling and molecular dynamics have also been utilized to model the formation, growth, cracking, and dissolution of the SEI. − Given the available literature reviews about the SEI formation, growth, dendrite growth, properties, functionalities, failure modes, and artificial SEI design, this review is predominantly focused on the various ionic transport models across the SEI associated with carbonaceous anodes. ,, …”

Section: Introductionmentioning

confidence: 99%

Ionic Transport through the Solid Electrolyte Interphase in Lithium-Ion Batteries: A Review from First-Principles Perspectives

Kulathuvayal

2023

ACS Appl. Energy Mater.

View full text Add to dashboard Cite

This review aims to give a collective analysis of ionic transport mechanisms through the solid electrolyte interphase (SEI) in lithium-ion batteries. In electrochemical cells, the SEI is the least understood and most important complex thin layer that forms on electrodes when they come in contact with electrolytes. Though the SEI is the key factor in any electrochemical cell, the complete picture of the SEI is still fuzzy because of its diverse and dynamic nature. To address the complexity of this interphase, the fabric of this review is arranged in such a way that each component of the SEI is separately analyzed by means of its chemical structure and the possible diffusion mechanism. Since most of the studies about ionic transport through the SEI are based on first-principles studies, a section of this review is devoted to discussing the theoretical concepts of ionic transport. Further, this review has audited other possible means of ionic transport occurring through grain boundaries including open channels. A brief overview of the electronic conductivity of SEI components is also included herewith.

show abstract

“…8,19,20 Most of the LIB degradation mechanisms, such as active materials dissolution, 13,19,21 solid-electrolyte interphase (SEI) layer formation, [22][23][24][25] and mechanical failure, 26-28 are also directly connected to the microstructure of the electrodes.…”

mentioning

confidence: 99%

“…18 Furthermore, the degradation of the LNMO battery is closely related to the composition and structure of the electrode. 8,19,20 Most of the LIB degradation mechanisms, such as active materials dissolution, 13,19,21 solid-electrolyte interphase (SEI) layer formation, [22][23][24][25] and mechanical failure, [26][27][28] are also directly connected to the microstructure of the electrodes.…”

mentioning

confidence: 99%

Experimental and Simulation Investigations of Porosity Graded Cathodes in Mitigating Battery Degradation of High Voltage Lithium-Ion Batteries

Liu

Guan

Liu

2017

J. Electrochem. Soc.

Self Cite

View full text Add to dashboard Cite

LiNi 0.5 Mn 1.5 O 4 (LNMO) is one of the high potential cathodes for lithium-ion batteries due to high operating voltage (4.7 V vs. Li) and high specific energy (650 Wh · kg −1 ). However, severe accelerated performance degradation occurring especially at the interface between electrode and electrolyte, hinder the implementation of the LNMO. In this work, porosity-graded cathodes are designed to mitigate LNMO degradation. The LNMO is synthesized using the solid-state reaction. We confirm the crystalline phase and electrochemical performance of the synthesized LNMO via X-ray powder diffraction (XRD), electrochemical impedance spectroscopy (EIS), and cyclic voltammetry (CV). Scanning electron microscope (SEM), transmission electron microscopy (TEM), and energy dispersive spectroscopy (EDS) are utilized. The porosities are measured by both 2-D imaging method (i.e., through ImageJ) and 3-D pore size analyzer in this study. Cycling tests show that porosity-graded cells reduce the capacity fade about 8.285% in full cell and 5.29% in half-cell, respectively. The porosity increase can improve the conductivity and diffusivity of lithium-ions through the electrode. Also, solid electrolyte interphase (SEI) formation can be varied and controlled when the porosity is different inside the electrode. Furthermore, we adopted Elitist Non-Dominated Sorting Genetic Algorithm (NSGA-II) to demonstrate the porosity-grading as a strategy for mitigating battery degradation. As one promising candidate for high-voltage lithium-ion batteries (LIBs), [1][2][3][4][5][6] 9 However, severe performance degradation, especially at the electrode/electrolyte interface, hinders the implementation of the LNMO. 7,10,11 Besides developing new electrolytes, 8,10 more attention needs to be focused on understanding as well as mitigating the LNMO cathode degradation within most common battery systems (e.g., graphite/LNMO), 7,12,13 which is the focus of this paper.The LNMO battery cell suffers from capacity fading issues similar to those encountered in other manganese-based spinel cathode materials when paired with graphite anodes. 7,13,14 Pieczonka et al. systematically examined the Mn and Ni dissolution in different LNMO crystal structures under various conditions such as state of charge, temperature, and storage time.13 Also, the LNMO suffers severe capacity fade due to a high operating voltage greater than the stability window of conventional electrolytes (e.g., LiPF 6 in an organic solution), which leads to electrolyte oxidation. 15,16 LNMO battery cells are usually exposed to high temperatures due to the high power operation in many applications such as hybrid electric vehicles (HEVs), 8 which can accelerate the side reactions at the electrode/electrolyte interface, and reduce the stability of LNMO lattice structure. Kim et al. indicated that fluoride-containing additives could form a protective layer on the electrode to promote a longer cycle life. 8 The high operating voltage is beyond the stability window of conventional electrolytes, which result...

show abstract

Phase-field Simulation of Lithium Ion Diffusion in Solid Electrolyte Interphase

Cited by 11 publications

References 41 publications

Application of phase-field method in rechargeable batteries

Application of phase-field method in rechargeable batteries

Ionic Transport through the Solid Electrolyte Interphase in Lithium-Ion Batteries: A Review from First-Principles Perspectives

Experimental and Simulation Investigations of Porosity Graded Cathodes in Mitigating Battery Degradation of High Voltage Lithium-Ion Batteries

Contact Info

Product

Resources

About