Fracture and debonding in lithium-ion batteries with electrodes of hollow core–shell nanostructures

Zhao, Kejie; Pharr, Matt; Hartle, Lauren; Vlassak, Joost J.; Suo, Zhigang

doi:10.1016/j.jpowsour.2012.06.074

Cited by 161 publications

(152 citation statements)

References 51 publications

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“…More complex structures, such as a coated hollow Si core, can be designed to avoid failure by relying on the coating to impose mechanical constraints in order to force the deformation of Si inward. Zhao et al 229 have developed an analytical mechanics model to predict the size of Si and the thickness of the coating that can achieve a mechanically stable coated hollow Si system during lithiation. Stournara et al 230 predicted the coating fracture energy, modulus, and the Si-C interface fracture energy at both non-lithiated and fully lithiated levels by DFT calculations and input into the Zhao 229 model.…”

Section: In Vitro Design Of the Seimentioning

confidence: 99%

“…Zhao et al 229 have developed an analytical mechanics model to predict the size of Si and the thickness of the coating that can achieve a mechanically stable coated hollow Si system during lithiation. Stournara et al 230 predicted the coating fracture energy, modulus, and the Si-C interface fracture energy at both non-lithiated and fully lithiated levels by DFT calculations and input into the Zhao 229 model. It then predicted that if the Si-core radius is less than 200 nm and C-shell thickness is about 10 nm, the coating will not fracture or delaminate up to 80% of SOC.…”

Section: In Vitro Design Of the Seimentioning

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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Section: In Vitro Design Of the Seimentioning

confidence: 99%

Section: In Vitro Design Of the Seimentioning

confidence: 99%

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

et al. 2018

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“…This structure, explained by authors [60], could extremely minimize the electrolyte-electrode contact area and side reactions of electrolyte and promote the electronic connectivity with conductive additives, leading to a much stable electrochemical performance (97% capacity retention after 1000 cycles) and high volumetric capacity (1270 mAh/cm 3 ). The size effect of silicon nanoparticle based anode material has been investigated [61][62][63]. Liu et al reported the study of lithiation of silicon nanoparticles by the in situ TEM microscopy.…”

Section: Silicon Nanoparticle/carbonmentioning

confidence: 99%

Recent Progress in Synthesis and Application of Low-Dimensional Silicon Based Anode Material for Lithium Ion Battery

Sun

Liu

Zhu

2017

Journal of Nanomaterials

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Silicon is regarded as the next generation anode material for LIBs with its ultra-high theoretical capacity and abundance. Nevertheless, the severe capacity degradation resulting from the huge volume change and accumulative solid-electrolyte interphase (SEI) formation hinders the silicon based anode material for further practical applications. Hence, a variety of methods have been applied to enhance electrochemical performances in terms of the electrochemical stability and rate performance of the silicon anodes such as designing nanostructured Si, combining with carbonaceous material, exploring multifunctional polymer binders, and developing artificial SEI layers. Silicon anodes with low-dimensional structures (0D, 1D, and 2D), compared with bulky silicon anodes, are strongly believed to have several advanced characteristics including larger surface area, fast electron transfer, and shortened lithium diffusion pathway as well as better accommodation with volume changes, which leads to improved electrochemical behaviors. In this review, recent progress of silicon anode synthesis methodologies generating low-dimensional structures for lithium ion batteries (LIBs) applications is listed and discussed.

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“…21 However, the irreversible capacity loss caused by stress damage during the first cycle is still serious. 6,22,23 Due to complicated lithiation deformation mechanisms, 11,24 the study on the structural change and stress evolution of high-capacity electrode materials during charging and discharging is necessary for the control of a large volume change and optimization of electrode structures.…”

mentioning

confidence: 99%

“…Zhao et al 11 studied fracture and debonding in LIBs with hollow core-shell z E-mail: zsma@xtu.edu.cn; c.lu@curtin.edu.au nano-structural electrodes and identified the conditions to avert fracture and debonding in terms of the core radius, shell thickness, and state of charge (SOC). Recent experiments by in situ transmission electron microscopy have revealed that there is a sharp phase boundary separated the lithiated amorphous Li x Si (x = 3.75) phase from unlithiated crystalline Si phase, and during lithiation, crack initiation on the surface of a sphere.…”

mentioning

confidence: 99%

Failure Prediction of High-Capacity Electrode Materials in Lithium-Ion Batteries

Wang

et al. 2016

J. Electrochem. Soc.

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The large volume change during lithium-ion insertion/extraction leads to huge stress and even failure of active materials. To well understand such a problem, the two-phase lithiation process of film and hollow core-shell electrodes is simulated by using a non-linear diffusion lithiation model. The dynamic evolution of lithium-ion concentration and diffusion-induced stress are obtained. Based on the dimensional analysis, a phase diagram is determined to demonstrate the relationship between critical failure, structure dimensions and mechanical properties. As a case study, the critical state of charge in Sn films are measured and compared with theoretical results. Because of the large storage capacity and high energy density, lithium-ion batteries (LIBs), one of the most promising secondary cells, [1][2][3] have been widely used in portable electronic devices. Recently, more research interest has focused on their potential applications in electric vehicles.2,4,5 As typical high-capacity electrode materials (e.g., Si, Ge, Sn, and some transition metal oxides) can host a large amount of Li-ions, this makes them promising candidates for demanding applications.6,7 For instance, Si has the highest theoretical specific capacity in the phase of Li 22 Si 5 (up to 4200 mA h g −1 ), which is nearly ten times higher than that of fully-lithiated graphite in LiC 6 (372 mA h g −1 ). 8,9 Other electrode materials such as Ge and Sn also have considerable theoretical specific capacities (1623 mA h g −1 for Li 22 Ge 5 and 700 mA h g −1 for Li 22 Sn 5 ). 4,7,10 However, the large number of Li-ions inserting into high-capacity electrode materials may result in a huge volume change (400% for full lithiation of Si), 6 and a series of shortcomings: fracture or pulverization of active materials, breakage of a conduction path for electrons and lose of electrical contact, and destruction of solid electrolyte interphase formed by the reaction between active materials and electrolyte. They can rapidly fade electrochemical properties of active materials and result persistent decrease of their long-term coulombic efficiency. 11-15To solve these problems, extensive efforts have been made over the last decade. It is shown that nanostructure-based battery electrodes such as nanofilms, nanowires and nanoparticles, can alleviate diffusion-induced stress and improve their cycle life through structural optimization and geometric restriction. [16][17][18][19][20] For example, a facile and scalable in situ chemical vapor deposition technique was developed for one-step fabrication of three-dimensional porous networks anchored with Sn nanoparticles (5-30 nm) and encapsulated with graphene shells of about 1 nm as a superior LIB anode. 21 However, the irreversible capacity loss caused by stress damage during the first cycle is still serious. 6,22,23 Due to complicated lithiation deformation mechanisms, 11,24 the study on the structural change and stress evolution of high-capacity electrode materials during charging and discharging is necessary for the contr...

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Fracture and debonding in lithium-ion batteries with electrodes of hollow core–shell nanostructures

Cited by 161 publications

References 51 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

Recent Progress in Synthesis and Application of Low-Dimensional Silicon Based Anode Material for Lithium Ion Battery

Failure Prediction of High-Capacity Electrode Materials in Lithium-Ion Batteries

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