Evaluation of apparent lithium-ion diffusion coefficients in FePO4/LiFePO4 cathode material particles from linear non-equilibrium thermodynamics and principle of electroneutrality

2016 ◽  
Vol 766 ◽  
pp. 107-119 ◽  
Author(s):  
Zhi-Yu Mao ◽  
Yan-Ping Sun ◽  
Keith Scott
Keyword(s):  
Cathode Material ◽  
Diffusion Coefficients ◽  
Lithium Ion ◽  
Ion Diffusion ◽  
Equilibrium Thermodynamics ◽  
Lifepo4 Cathode ◽  
Lithium Ion Diffusion ◽  
Non Equilibrium

Directional LiFePO4 cathode structure by freeze tape casting to improve lithium ion diffusion kinetics

2021 ◽  
Vol 506 ◽  
pp. 230052
Author(s):  
Yongming Guo ◽  
Yilan Jiang ◽  
Qing Zhang ◽  
Dongyun Wan ◽  
Chun Huang
Keyword(s):  
Tape Casting ◽  
Lithium Ion ◽  
Diffusion Kinetics ◽  
Ion Diffusion ◽  
Cathode Structure ◽  
Lifepo4 Cathode ◽  
Lithium Ion Diffusion

scholarly journals Defect Process, Dopant Behaviour and Li Ion Mobility in the Li2MnO3 Cathode Material

Energies ◽  
2019 ◽  
Vol 12 (7) ◽  
pp. 1329 ◽  
Author(s):  
Navaratnarajah Kuganathan ◽  
Efstratia Sgourou ◽  
Yerassimos Panayiotatos ◽  
Alexander Chroneos
Keyword(s):  
Cathode Material ◽  
Low Cost ◽  
Lithium Ion ◽  
Intrinsic Defect ◽  
Ion Diffusion ◽  
Simulation Techniques ◽  
Low Toxicity ◽  
Li Ion ◽  
Defect Process ◽  
Lithium Ion Diffusion

Lithium manganite, Li2MnO3, is an attractive cathode material for rechargeable lithium ion batteries due to its large capacity, low cost and low toxicity. We employed well-established atomistic simulation techniques to examine defect processes, favourable dopants on the Mn site and lithium ion diffusion pathways in Li2MnO3. The Li Frenkel, which is necessary for the formation of Li vacancies in vacancy-assisted Li ion diffusion, is calculated to be the most favourable intrinsic defect (1.21 eV/defect). The cation intermixing is calculated to be the second most favourable defect process. High lithium ionic conductivity with a low activation energy of 0.44 eV indicates that a Li ion can be extracted easily in this material. To increase the capacity, trivalent dopants (Al3+, Co3+, Ga3+, Sc3+, In3+, Y3+, Gd3+ and La3+) were considered to create extra Li in Li2MnO3. The present calculations show that Al3+ is an ideal dopant for this strategy and that this is in agreement with the experiential study of Al-doped Li2MnO3. The favourable isovalent dopants are found to be the Si4+ and the Ge4+ on the Mn site.

Lithium-ion Diffusion in Solid Electrolyte Interface (SEI) Predicted by Phase Field Model

2015 ◽  
Vol 1753 ◽  
Author(s):  
Pengjian Guan ◽  
Lin Liu
Keyword(s):  
Solid Electrolyte ◽  
Phase Field ◽  
Diffusion Coefficients ◽  
Field Model ◽  
Phase Field Model ◽  
Lithium Ion ◽  
Morphology Evolution ◽  
Ion Diffusion ◽  
Sei Layer ◽  
Lithium Ion Diffusion

ABSTRACTSolid electrolyte interface (SEI) layer plays a key role in lithium-ion batteries’ degradation research. However, SEI layer microstructure prediction still needs further investigation, especially the lithium-ion diffusion in SEI layer considering its morphology evolution during the growth of SEI. Due to the unique advantage of avoiding explicitly tracking the interfaces with sharp composition gradients, a phase field model is developed to simulate the SEI formation and its morphology evolution that is regarded as a solidification process. Fick’s law and mass balance are applied to investigate lithium-ion concentration distribution and diffusion coefficients of different SEI layers (i.e., compact and porous SEI layers) predicted by the developed phase field model. The simulation results show lithium-ion diffusion coefficients between 298K and 318K are 1.34-1.87(10-16) m2/s and 1.73-2.18(10-12) m2/s for compact SEI and porous SEI layer, respectively. The developed model has great potential to be extended to three dimensional spaces for SEI layer spatial growth investigation and other interfaces with complex morphology evolution.

Impedance spectroscopy study of lithium ion diffusion in a new cathode material based on vanadium pentoxide

2010 ◽  
Vol 20 (1) ◽  
pp. 12-14 ◽  
Author(s):  
Dmitry A. Semenenko ◽  
Tatiana L. Kulova ◽  
Alexander M. Skundin ◽  
Daniil M. Itkis ◽  
Ekaterina A. Pomerantseva ◽  
...  
Keyword(s):  
Impedance Spectroscopy ◽  
Cathode Material ◽  
Vanadium Pentoxide ◽  
Lithium Ion ◽  
Spectroscopy Study ◽  
Ion Diffusion ◽  
Impedance Spectroscopy Study ◽  
Lithium Ion Diffusion
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