Chemomechanical modeling of lithiation-induced failure in high-volume-change electrode materials for lithium ion batteries

Zhang, Sulin

doi:10.1038/s41524-017-0009-z

Cited by 96 publications

(54 citation statements)

References 135 publications

(187 reference statements)

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“…The two new electrode materials, Nb16W5O55 and Nb18W16O93, effectively use superstructure motifs to provide stable host structures for lithium intercalation with facile and defect-tolerant lithium diffusion and multielectron redox. Volume expansion is mitigated by structural contraction along specific crystallographic axes in response to increased lithium content, which may enable the extended cycling of these large particles 44 . The materials investigated here operate in a similar voltage region to the well-studied and generally considered to be "safe" anode materials LTO and TiO2(B).…”

Section: A B Cmentioning

confidence: 99%

Niobium tungsten oxides for high-rate lithium-ion energy storage

Griffith

Wiaderek

Cibin

et al. 2018

Nature

677

658

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The maximum power output and minimum charging time of a lithium-ion battery depend on both ionic and electronic transport. Ionic diffusion within the electrochemically active particles generally represents a fundamental limitation to the rate at which a battery can be charged and discharged. To compensate for the relatively slow solid-state ionic diffusion and to enable high power and rapid charging, the active particles are frequently reduced to nanometre dimensions, to the detriment of volumetric packing density, cost, stability and sustainability. As an alternative to nanoscaling, here we show that two complex niobium tungsten oxides-NbWO and NbWO, which adopt crystallographic shear and bronze-like structures, respectively-can intercalate large quantities of lithium at high rates, even when the sizes of the niobium tungsten oxide particles are of the order of micrometres. Measurements of lithium-ion diffusion coefficients in both structures reveal room-temperature values that are several orders of magnitude higher than those in typical electrode materials such as LiTiO and LiMnO. Multielectron redox, buffered volume expansion, topologically frustrated niobium/tungsten polyhedral arrangements and rapid solid-state lithium transport lead to extremely high volumetric capacities and rate performance. Unconventional materials and mechanisms that enable lithiation of micrometre-sized particles in minutes have implications for high-power applications, fast-charging devices, all-solid-state energy storage systems, electrode design and material discovery.

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Section: A B Cmentioning

confidence: 99%

Niobium tungsten oxides for high-rate lithium-ion energy storage

Griffith

Wiaderek

Cibin

et al. 2018

Nature

677

658

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“…In each model, the center pore was set to be the fixed boundary. The expansion during lithiation was simulated by thermal expansion [ 42 , 43 ], the thermal stress ε can be given by:

where

is the coefficient of thermal expansion,

is the temperature,

is the reference temperature, and

is the temperature difference. The model and material parameters are detailed in Table S5 .…”

Section: Experimental Methodsmentioning

confidence: 99%

Facile Synthesis of Sponge-Like Porous Nano Carbon-Coated Silicon Anode with Tunable Pore Structure for High-Stability Lithium-Ion Batteries

Song

Zheng

et al. 2021

Molecules

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To address the challenge of the huge volume expansion of silicon anode, carbon-coated silicon has been developed as an effective design strategy due to the improved conductivity and stable electrochemical interface. However, although carbon-coated silicon anodes exhibit improved cycling stability, the complex synthesis methods and uncontrollable structure adjustment still make the carbon-coated silicon anodes hard to popularize in practical application. Herein, we propose a facile method to fabricate sponge-like porous nano carbon-coated silicon (sCCSi) with a tunable pore structure. Through the strategy of adding water into precursor solution combined with a slow heating rate of pre-oxidation, a sponge-like porous structure can be formed. Furthermore, the porous structure can be controlled through stirring temperature and oscillation methods. Owing to the inherent material properties and the sponge-like porous structure, sCCSi shows high conductivity, high specific surface area, and stable chemical bonding. As a result, the sCCSi with normal and excessive silicon-to-carbon ratios all exhibit excellent cycling stability, with 70.6% and 70.2% capacity retentions after 300 cycles at 500 mA g−1, respectively. Furthermore, the enhanced buffering effect on pressure between silicon nanoparticles and carbon material due to the sponge-like porous structure in sCCSi is further revealed through mechanical simulation. Considering the facile synthesis method, flexible regulation of porous structure, and high cycling stability, the design of the sCCSi paves a way for the synthesis of high-stability carbon-coated silicon anodes.

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“…The diffusion flux in formula can be defined based on the Fick diffusion law so as to take into account the bidirectional effect between Li-ion diffusion and stress generation [35],…”

Section: Coupled Diffusion-stress Problemmentioning

confidence: 99%

“…In situations when the plastic deformation is considered, an elastic-perfectly plastic constitutive model is adopted to describe the material behaviour. According to the analogy between DIS and thermal stress [9,35], the increment of the total strain -. can be written as…”

Section: Coupled Diffusion-stress Problemmentioning

confidence: 99%

Numerical analysis of the cyclic mechanical damage of Li-ion battery electrode and experimental validation

Zhu

Xie

Chen

et al. 2021

International Journal of Fatigue

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Evidences have accumulated that the cyclic diffusion-induced stress within lithiation-delithiation process will result in the cyclically evolutive mechanical damage of battery electrode, which adversely affects the mechanical integrity as well as the performance of the Li-ion battery. In this work, the mechanical degradation of electrode under electrochemical-mechanical condition is innovatively evaluated as a fatigue damage process, governed by the interaction between diffusion behaviour and stress generation, and accumulated fatigue damage affected stress-strain response. Structural configuration of a layered electrode plate is modeled in finite element software ABAQUS and a set of user subroutines are developed to implement the proposed fatigue evaluation approach for battery electrode. The constructed approach is proved to be able to simulate multifarious categories of fatigue damage accumulation trends of battery electrode. The strategy to correlate the electrochemistry represented damage with mechanical fatigue damage are proposed. Experimental performance tests are conducted to parameterize the fatigue damage model within the assessment approach for electrode material LiNi0.5Mn0.3Co0.2O2 (NMC532). After parameterization, further circulating chargingdischarging experiments and fatigue damage simulations with respect to different C-rate conditions are carried out to study the applicability of the proposed evaluation model as well as the assumption between electrochemical and mechanical deterioration. It is observed that the electrode surface adhering to electrolyte is more prone to fracture in the cycling operation. The present research work shows that it is available to apply the fatigue damage method to study the gradually mechanical failure of battery electrode under electrochemical-mechanical condition.

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Chemomechanical modeling of lithiation-induced failure in high-volume-change electrode materials for lithium ion batteries

Cited by 96 publications

References 135 publications

Niobium tungsten oxides for high-rate lithium-ion energy storage

Niobium tungsten oxides for high-rate lithium-ion energy storage

Facile Synthesis of Sponge-Like Porous Nano Carbon-Coated Silicon Anode with Tunable Pore Structure for High-Stability Lithium-Ion Batteries

Numerical analysis of the cyclic mechanical damage of Li-ion battery electrode and experimental validation

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