Synergetic Effects of Inorganic Components in Solid Electrolyte Interphase on High Cycle Efficiency of Lithium Ion Batteries

Zhang, Qinglin; Pan, Jie; Lü, Peng; Liu, Zhongyi; Verbrugge, Mark W.; Sheldon, Brian W.; Cheng, Yang; Qi, Yue; Xiao, Xingcheng

doi:10.1021/acs.nanolett.5b05283

Cited by 338 publications

(298 citation statements)

References 40 publications

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“…This could be due to defects or band-bending on grain boundaries inside the SEI. Interface effects on such boundaries can promote lithium-ion and potentially electron mobility as shown by Zhang et al 20 We highlight that the specific transport mechanism used does as demonstrated by replacing conduction with neutral lithium interstitial diffusion. Any mechanism which transports charges though the SEI for the reduction of the solvent at the SEI/electrolyte interface will produce qualitatively similar results.…”

Section: Discussionmentioning

confidence: 70%

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Revealing SEI Morphology: In-Depth Analysis of a Modeling Approach

Single

Horstmann

Latz

2017

J. Electrochem. Soc.

101

133

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In this article, we present a novel theory for the long term evolution of the solid electrolyte interphase (SEI) in lithium-ion batteries and propose novel validation measurements. Both SEI thickness and morphology are predicted by our model as we take into account two transport mechanisms, i.e., solvent diffusion in the SEI pores and charge transport in the solid SEI phase. We show that a porous SEI is created due to the interplay of these transport mechanisms. Different dual layer SEIs emerge from different electrolyte decomposition reactions. We reveal the behavior of such dual layer structures and discuss its dependence on system parameters. Model analysis enables us to interpret SEI thickness fluctuations and link them to the rate-limiting transport mechanism. Our results are general and independent of specific modeling choices, e.g., for charge transport and reduction reactions. In the near future, automotive and mobile applications demand power storage with large energy and power density. Currently, lithiumion batteries (LIBs) are the technology of choice for devices with these demands. They operate at high cell potentials and offer high specific capacities while providing long lifetimes. The latter is a consequence of the stable chemistry of modern LIB systems. A significant part of this stability can be attributed to the passivation ability of the solid electrolyte interphase (SEI). This thin layer forms between the negative electrode and the electrolyte. Hence contact between these phases is prevented and the continuous reduction of electrolyte molecules is suppressed. These reduction processes occur because the operating potential of the negative electrode lies well below the stability window of the electrolyte.1 They are suppressed because reduction products quickly form the SEI during the first charge of a pristine electrode. The self passivating ability is one of the most important distinctions between a well and a badly performing lithium-ion battery chemistry. It is of such importance because the reduction reactions consume lithium-ions, directly reducing battery capacity. However, a real SEI is not perfectly passivating and electrolyte reduction is never completely suppressed. Consequently, the lifetime of a battery is directly related to the long-term passivating ability of the SEI.Numerous studies on SEI have been conducted since Peled reported on this correlation in 1979.2 Most of these studies are experimental, investigating cycling stability as well as SEI impedance and composition. Theoretical studies are scarce in comparison, despite established methods such as DFT and DFT/MD derivatives. This can be partially explained with the chemical diversity of SEI, which has been investigated by Aurbach et al. for decades. Results are summarized in Refs. 3, 4 and include the study of SEI formation on graphite electrodes in organic solvent mixtures. The most significant finding of this time is that ethylene carbonate (EC) forms a stable SEI on graphite as opposed to propylene carbonate (PC). Another...

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Section: Discussionmentioning

confidence: 70%

“…We consider a large volume V a 3 0 in which all sub-cubes are randomly assigned to SEI/pores with uniform probability ε SEI /ε. The total surface area in V can be approximated as [20] where V a…”

Section: Journal Of the Electrochemical Society 164 (11) E3132-e3145mentioning

confidence: 99%

Revealing SEI Morphology: In-Depth Analysis of a Modeling Approach

Single

Horstmann

Latz

2017

J. Electrochem. Soc.

101

133

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“…Different components in the SEI, as well as their properties, influence the performance of SEI in coordinated complex ways. 8,25,34 The progressive understanding of SEI over the past 50 years has been summarized in Fig. 2.…”

Section: Solid Electrolyte Interphase (Sei) In Li-ion Batteriesmentioning

confidence: 99%

“…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%

“…The high conductivity of such a design was also simultaneously demonstrated by an experiment. 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%

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

et al. 2018

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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.

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Toward Critical Electrode/Electrolyte Interfaces in Rechargeable Batteries

Yan

Xiao

et al. 2020

Adv Funct Materials

282

228

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The electrode/electrolyte interface plays a critical role in stabilizing the cycling performance and prolonging the service life of rechargeable batteries to meet the sustainable energy requirements of the mobile society. The understanding of interfaces is still at the preliminary stage due to the limited research techniques and variable properties with time and potential. Herein, the latest developments focused on the interfaces in rechargeable systems including the cathode electrolyte interphase (CEI) and solid electrolyte interphase (SEI) are reviewed. The possible formation mechanisms of the electrode/electrolyte interface are discussed, followed by the introduction of two key influencing factors, specific adsorption and solvated coordinate structure, which will dominate the formation of the interface. Finally, the structure and chemical composition of the interface as well as the possible transport mechanism of lithium ions in the interface and the strategies to regulate the pathway through the interface are presented in detail. This work sheds light on the fundamental understanding of the interface and provides rational scientific principles in designing the electrode/electrolyte interface and inspires the rational design of long‐term cycling rechargeable batteries.

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Synergetic Effects of Inorganic Components in Solid Electrolyte Interphase on High Cycle Efficiency of Lithium Ion Batteries

Cited by 338 publications

References 40 publications

Revealing SEI Morphology: In-Depth Analysis of a Modeling Approach

Revealing SEI Morphology: In-Depth Analysis of a Modeling Approach

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

Toward Critical Electrode/Electrolyte Interfaces in Rechargeable Batteries

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