Design of Nanostructured Heterogeneous Solid Ionic Coatings through a Multiscale Defect Model

Pan, Jie; Xiao, Xingcheng; Cheng, Yang; Qi, Yue

doi:10.1021/acsami.5b12030

Cited by 67 publications

(55 citation statements)

References 70 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…38,169,179 Another method to increase the diffusion carrier concentration is taking advantage of the space charge layer effect 184 created by heterogeneous structures and grain boundaries. 34,185 Given the difference of the Li diffusion carriers in Li 2 CO 3 and LiF, Pan et al 185 combined the DFT predicted interfacial defect reaction energetics and the continuum Poisson-Boltzmann relationship to understand the effect of mixing LiF and Li 2 CO 3 on Li-ion conductivity. They found that a space charge layer is formed via the defect reaction across the Li 2 CO 3 and LiF interface, which results in the dramatically increased Li-ion interstitial concentration in Li 2 CO 3 and an increased Li vacancy concentration in LiF, as illustrated in Fig.…”

Section: Correlation Of Sei Properties With Battery Performance Starmentioning

confidence: 99%

See 1 more Smart Citation

Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries

et al. 2018

Self Cite

View full text Add to dashboard Cite

A passivation layer called the solid electrolyte interphase (SEI) is formed on electrode surfaces from decomposition products of electrolytes. The SEI allows Li + transport and blocks electrons in order to prevent further electrolyte decomposition and ensure continued electrochemical reactions. The formation and growth mechanism of the nanometer thick SEI films are yet to be completely understood owing to their complex structure and lack of reliable in situ experimental techniques. Significant advances in computational methods have made it possible to predictively model the fundamentals of SEI. This review aims to give an overview of state-of-the-art modeling progress in the investigation of SEI films on the anodes, ranging from electronic structure calculations to mesoscale modeling, covering the thermodynamics and kinetics of electrolyte reduction reactions, SEI formation, modification through electrolyte design, correlation of SEI properties with battery performance, and the artificial SEI design. Multiscale simulations have been summarized and compared with each other as well as with experiments. Computational details of the fundamental properties of SEI, such as electron tunneling, Li-ion transport, chemical/mechanical stability of the bulk SEI and electrode/(SEI/) electrolyte interfaces have been discussed. This review shows the potential of computational approaches in the deconvolution of SEI properties and design of artificial SEI. We believe that computational modeling can be integrated with experiments to complement each other and lead to a better understanding of the complex SEI for the development of a highly efficient battery in the future.

show abstract

Section: Correlation Of Sei Properties With Battery Performance Starmentioning

confidence: 99%

“…34 It would be ideal if the Li 2 CO 3 /LiF interface is perpendicular to the anode surface and the size and distribution of LiF can be controlled experimentally as the model had suggested. 185 This is an important step to describe the mosaic nature of the SEI film.…”

Section: Correlation Of Sei Properties With Battery Performance Starmentioning

confidence: 99%

Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries

et al. 2018

Self Cite

View full text Add to dashboard Cite

show abstract

“…During the past two and half decades, great efforts have been devoted to Lithium-ion batteries (LIBs). [4][5][6][7][8][9][10] However, the limited global availability of lithium resources, safety and high cost of extraction hinder the application of LIBs in several energy storage systems. This demands alternative energy storage devices that are based on earth-abundant elements.…”

mentioning

confidence: 99%

Sustainable Potassium-Ion Battery Anodes Derived from Waste-Tire Rubber

Adams

Arora

et al. 2017

J. Electrochem. Soc.

View full text Add to dashboard Cite

The recycling of waste-tire rubber is of critical importance since the discarded tires pose serious environmental and health hazards to our society. Here, we report a new application for hard-carbon materials derived from waste-tires as anodes in potassium-ion batteries. The sustainable tire-derived carbons show good reversible potassium insertion at relatively high rates. Long-term stability tests exhibit capacities of 155 and 141 mAh g −1 for carbon pyrolyzed at 1100 • C and 1600 • C, respectively, after 200 cycles at current rate of C/2. This study provides an alternative solution for inexpensive and environmental benign potassium-ion battery anode materials.

show abstract

“…We conclude that ionic conductivity of the SEI can be promoted by introducing LiF/Li 2 CO 3 interfaces. Experimentally it has been demonstrated, that LiF/Li 2 CO 3 interfaces as an artificial SEI layer on Si improves the cycling performance …”

Section: Efforts To Enhance the Si Electrode Stabilitymentioning

confidence: 99%

An overview on efforts to enhance the Si electrode stability for lithium ion batteries

2019

View full text Add to dashboard Cite

This report summarizes the challenges and developments related to the cycle stability of Si anodes. It describes the two-component material concepts using polymer blends and the approaches to material optimization for more stable Si anodes. Since the anode behavior also depends strongly on the Si particle size (and in polymer mixtures no uniform Si particle size is given), the properties of the Si anodes depending on the Si particle size and the underlying fundamental processes at the solid-electrolyte interface were described shortly. Bicomponent silicon-based composites (carbon additives, inorganic nanoparticles and polymers) on the anode behavior were compared by two properties: specific capacity and cycle number of the anodes. This article focuses on Si-polymer blends where the polymer can act as a binder or/and as a solid-state electrolyte. To help further the understanding the role of polymer we have gathered together useful data from the literature on solubilities, flexibility and hardness for the polymers generally used. We offer a perspective for polymer hydrogels that will enable a promising material composition for stable Si anodes. K E Y W O R D Sconductive polymers, hydrogels, lithium ion battery, silicon anode, solid-electrolyte interphase 2 | CHALLENGES FOR SI ELECTRODES Si based anodes are quite instable, capacity decay, cracks on anode, failure of electrical conductivity and inhibition are problems to be solved.

show abstract

Design of Nanostructured Heterogeneous Solid Ionic Coatings through a Multiscale Defect Model

Cited by 67 publications

References 70 publications

Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries

Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries

Sustainable Potassium-Ion Battery Anodes Derived from Waste-Tire Rubber

An overview on efforts to enhance the Si electrode stability for lithium ion batteries

Contact Info

Product

Resources

About