On the origin of anisotropic lithiation of silicon

Rohrer, Jochen; Moradabadi, Ashkan; Albe, Karsten; Kaghazchi, Payam

doi:10.1016/j.jpowsour.2015.05.057

Cited by 14 publications

(10 citation statements)

References 35 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…It has been shown that nanosized silicon below particle sizes of about 150 nm can better accommodate the strain of the tremendous volume expansion of up to 280% during electrochemical lithiation to Li 15 Si 4 [3,5], compared to micron-sized particles. Additional improvements can be gained from tailoring the shape of the nanomaterial [6,7]. Many LIB electrode materials are in fact poor electronic conductors and thus benefit from shorter diffusion pathways and greater inter-particle contact [2].…”

Section: Introductionmentioning

confidence: 99%

Influence of inactive electrode components on degradation phenomena in nano-Si electrodes for Li-ion batteries

Jeschull

Lindgren

Lacey

et al. 2016

Journal of Power Sources

View full text Add to dashboard Cite

Section: Introductionmentioning

confidence: 99%

Influence of inactive electrode components on degradation phenomena in nano-Si electrodes for Li-ion batteries

Jeschull

Lindgren

Lacey

et al. 2016

Journal of Power Sources

View full text Add to dashboard Cite

“…The diffusion process was treated as isotropic in both works. However, as Rohrer et al [12,13] have pointed out from first principle calculations, the anisotropic volumetric expansion in Silicon will indeed initiate cracking, especially in large particles, where the segregation between amorphous and crystalline silicon phases can not be suppressed. Moreover, in positive electrode materials such as LiFePO 4 , striped phase boundaries have observed by Chen et al [14,15] because of strong anisotropy and phase segregation.…”

Section: Introductionmentioning

confidence: 99%

Phase-field study of electrochemical reactions at exterior and interior interfaces in Li-ion battery electrode particles

Zhao

Stein

et al. 2016

Computer Methods in Applied Mechanics and Engineering

View full text Add to dashboard Cite

To study the electrochemical reaction on surfaces, phase interfaces, and crack surfaces in the lithium ion battery electrode particles, a phase-field model is developed, which describes fracture in large strains and anisotropic Cahn-HilliardReaction. Thereby the concentration-dependency of the elastic properties and the anisotropy of diffusivity are also considered. The implementation in 3D is carried out by isogeometric finite element methods in order to treat the high order terms in a straightforward sense. The electrochemical reaction is modeled through a modified Butler-Volmer equation to account for the influence of the phase change on the reaction on exterior surfaces. The reaction on the crack surfaces is considered through a volume source term weighted by a term related to the fracture order parameter. Based on the model, three characteristic examples are considered to reveal the electrochemical reactions on particle surfaces, phase interfaces, and crack surfaces, as well as their influence on the particle material behavior. Results show that the ratio between the timescale of reaction and the diffusion can have a significant influence on phase segregation * Corresponding author

show abstract

“…The process of Li þ transport has thus been extensively studied in LiB anodes and cathodes using impedance spectroscopy and nuclear magnetic resonance as well as density functional theory (DFT) methods. [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17] DFT calculations have provided detailed information on type of dominant ion carriers and their diffusion mechanisms in LiB. 14 22 Li transport via the exchange mechanism (-interstitial Li-Li site-interstitial Li-) has been reported in solid-electrolyte-interphase materials such as Li 2 CO 3 .…”

mentioning

confidence: 99%

Thermodynamics and kinetics of defects in Li2S

Moradabadi

Kaghazchi

2016

Applied Physics Letters

Self Cite

View full text Add to dashboard Cite

Li2S is the final product of lithiation of sulfur cathodes in lithium-sulfur (Li-S) batteries. In this work, we study formation and diffusion of defects in Li2S. It is found that for a wide range of voltages (referenced to metal Li) between 0.17 V and 2.01 V, positively charged interstitial Li (Li+) is the most favorable defect type with a fixed formation energy of 1.02 eV. The formation energy of negatively charged Li vacancy (VLi−) is also constant, and it is only 0.13 eV higher than that of Li+. For a narrow range of voltages between 0.00 V and 0.17 V, the formation energy of neutral S vacancy is the lowest and it decreases with decreasing the cell voltage. The energy barrier for Li+ diffusion (0.45 eV), which takes place via an exchange mechanism, is 0.18 eV higher than that for VLi− (0.27 eV), which takes place via a single vacancy hopping. Considering formation energies and diffusion barriers, we find that ionic conductivity in Li2S is due to both Li+ and VLi−, but the latter mechanism being slightly more favorable.

show abstract

On the origin of anisotropic lithiation of silicon

Cited by 14 publications

References 35 publications

Influence of inactive electrode components on degradation phenomena in nano-Si electrodes for Li-ion batteries

Influence of inactive electrode components on degradation phenomena in nano-Si electrodes for Li-ion batteries

Phase-field study of electrochemical reactions at exterior and interior interfaces in Li-ion battery electrode particles

Thermodynamics and kinetics of defects in Li2S

Contact Info

Product

Resources

About