Determination of the diffusion coefficient of lithium ions in nano-Si

Ding, Ning; Xu, Jun; Yao, Yagang; Wegner, Gerhard; Fang, Xin; Chen, C. H.; Lieberwirth, Ingo

doi:10.1016/j.ssi.2008.12.015

Cited by 533 publications

(358 citation statements)

References 14 publications

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“…The dotted lines in Figure 2 b and 2 c represent the characteristic length scale for diffusion assuming a Li diffusivity in the shell of D = 10 − 16 m 2 s − 1 . [ 42 ] It is clear that the measured data behave differently: the lithiation rate slows in both smaller and larger particles on similar time scales. For a diffusion-limited process, the smaller particles should be fully lithiated much faster than the larger particles, but here it is evident that the crystalline cores in the smaller particles are retained for longer than expected for diffusion limitation.…”

Section: Communicationmentioning

confidence: 96%

Studying the Kinetics of Crystalline Silicon Nanoparticle Lithiation with In Situ Transmission Electron Microscopy

et al. 2012

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In situ transmission electron microscopy (TEM) is used to study the electrochemical lithiation of high-capacity crystalline Si nanoparticles for use in Li-ion battery anodes. The lithiation reaction slows down as it progresses into the particle interior, and analysis suggests that this behavior is due not to diffusion limitation but instead to the influence of mechanical stress on the driving force for reaction.

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Section: Communicationmentioning

confidence: 96%

Studying the Kinetics of Crystalline Silicon Nanoparticle Lithiation with In Situ Transmission Electron Microscopy

et al. 2012

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“…3 at a state of charge ͑SOC͒ of / max = 0.5. Ding's experiments 25 suggest that dU OCP / d Ϸ −0.1 eV at = 0.5 max = 2.2, leading to ⌽ Li ͑͒ = 27.2. Again, the variation in ⌬ across the NW cross section is small, validating the assumption made at the beginning.…”

Section: LImentioning

confidence: 98%

Strong stress-enhanced diffusion in amorphous lithium alloy nanowire electrodes

Gao¹,

Zhou²

2011

Journal of Applied Physics

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Diffusion-induced stress (DIS) development and stress-enhanced diffusion (SED) in amorphous lithium alloy nanowire battery electrodes are investigated using a finite deformation model, accounting for full two-way coupling between diffusion and stress evolution. Analytical solutions are derived using a perturbation method. The analyses reveal significant contributions to the driving force for diffusion by stress gradient, an effect much stronger than those seen in cathode lattices but so far has been neglected for alloy-based anodes. The contribution of stress to diffusion is small at low lithium concentrations, this lack of SED leads to significantly higher DIS levels in early stages of a charging cycle. As lithium concentration increases, SED becomes more pronounced, leading to lower DIS levels. The long-term DIS level in the material scales with charging rate, nanowire radius, and the mobility of Li ions as modulated by the effect of stress. The solutions obtained provide guidance for lowering stresses during charging. In particular, lower charging rates should be used during the initial stages of charging cycles.

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“…Coefficient values for each temperature below 400 K are tabulated in Table IV 44,122,123 Diffusion mechanisms.-At low temperatures, mainly the atom vibrations due to the increased temperature are observed and no diffusion hopping events during the simulation time are seen. On the contrary, at high temperatures, Li-ion diffusion can be clearly observed.…”

Section: Diffusion Coefficients and Diffusion Mechanism At Low And Himentioning

confidence: 99%

Ion Diffusivity through the Solid Electrolyte Interphase in Lithium-Ion Batteries

Benitez

Seminario

2017

J. Electrochem. Soc.

126

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Understanding the transport properties of the solid electrolyte interphase (SEI) is a critical piece in the development of lithium ion batteries (LIB) with better performance. We studied the lithium ion diffusivity in the main components of the SEI found in LIB with silicon anodes and performed classical molecular dynamics (MD) simulations on lithium fluoride (LiF), lithium oxide (Li 2 O) and lithium carbonate (Li 2 CO 3 ) in order to provide insights and to calculate the diffusion coefficients of Li-ions at temperatures in the range of 250 K to 400 K, which is within the LIB operating temperature range. We find a slight increase in the diffusivity as the temperature increases and since diffusion is noticeable at high temperatures, Li-ion diffusion in the range of 1300 K to 1800 K was also studied and the diffusion mechanisms involved in each SEI compound were analyzed. We observed that the predominant mechanisms of Li-ion diffusion included vacancy assisted and knock-off diffusion in LiF, direct exchange in Li 2 O, and vacancy and knock-off in Li 2 CO 3 . Moreover, we also evaluated the effect of applied electric fields in the diffusion of Li-ions at room temperature. The continuous demand for smart phones, tablets and other mobile devices has enormously promoted the improvement of Li-ion batteries. Moreover, volatile oil prices, pollution and climate change concerns have further increased the need for energy storage devices for renewable energies and electric vehicles. The latter applications require batteries with even higher energy density, better cycle life, better power performance, lower cost and improved safety.1 Therefore, improving and increasing the fundamental scientific knowledge of lithium ion batteries is essential for their continual advancement.A key component in lithium ion batteries is the solid electrolyte interphase (SEI) film. The SEI film is a thin passivating layer that is initially formed, on both anode and cathode surfaces, from the reduction of the electrolyte during the first charging/discharging cycles. [2][3][4][5][6][7][8][9] It consists of a mixture of inorganic and organic products, such as LiF, Li 2 O and LiCO 3 , and (CH 2 OCO 2 Li) 2 , ROCO 2 Li and ROLi, where R is an organic group such as CH 2 , CH 3 , CH 2 CH 2 , CH 2 CH 3 , CH 2 CH 2 CH 3 that depends on the electrolyte solvent.10-24 Proposed structure models suggest that a dense layer of inorganic products is found near the electrode (inner layer) followed by a porous organic layer near the electrolyte/SEI interface (outer layer). [19][20][21] In carbon anodes, the SEI layer prevents further decomposition of the electrolyte by hindering electron transport from the electrode to the electrolyte, and by blocking the travel of solvent molecules to the active surface of the anode, where they can react with lithium ions and electrons. 25 In silicon anodes, i.e., the huge volume expansion of the anode creates cracks in the SEI layer and generates new surfaces which are freshly exposed to the electrolyte. 26 In both carbon and si...

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Determination of the diffusion coefficient of lithium ions in nano-Si

Cited by 533 publications

References 14 publications

Studying the Kinetics of Crystalline Silicon Nanoparticle Lithiation with In Situ Transmission Electron Microscopy

Studying the Kinetics of Crystalline Silicon Nanoparticle Lithiation with In Situ Transmission Electron Microscopy

Strong stress-enhanced diffusion in amorphous lithium alloy nanowire electrodes

Ion Diffusivity through the Solid Electrolyte Interphase in Lithium-Ion Batteries

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