www.jrc.ec.europa.eu References [1] M.E. Donders, J. Electrochem. Soc., 160, A3066-A3071. (2013) [2] T. F. Fuller et al., J. Electrochem. Soc., 141, 982-990. (1994) [3] A. Kriston et al., J. Electrochem. Soc. 161, E3235-E3247. (2014) [4] Dualfoil battery model of John Newman research group, http://www.cchem.berkeley.edu/jsngrp/fortran.html Prediction of volumetric and specific energy and power density of high-capacity thin layer battery electrodes using a novel multi-scale modelling framework Objectives • To calculate performance metrics of atomic or vapour deposited (ALD) thin layer micro batteries 1 • To predict the performance of ALD at higher loadings for larger scale applications (i.e. automotive) Approach A pore-scale model nested into a macrohomogeneous 2 Li battery model was developed to be able to directly relate the microstructure of the active layer of thin- film batteries to their performance. ALD is a promising method for formation of nanostructured Li alloy layers (e.g. Si, Sn) to mitigate stress, caused by volumetric expansion. Thin nanolayers also exhibit high power and energy density 1 , however their upscaling needs further analysis. Ákos Kriston*, Andreas Pfrang* and Branko N. Popov** *European Commission, Joint Research Centre, Institute for Energy and Transport, 1755 LE Petten, The Netherlands **University of South Carolina, Centre for Electrochemical Engineering, Dept. of Chemical Engineering, Columbia, USA, SC 29208. Download from Slideshare! 17th International Meeting on Lithium Batteries, June 10-14, 2014, in Como, Italy Abstract number=#693 Fig.1a) shows weak (10%) interaction between the particles and b) shows strong attractive forces (60%).The different colours correspond to the deposition of 1000 particles, while white spaces correspond to open pores. Conclusion The developed method offers an efficient tool not only to predict, but to design high power and high capacity batteries. It is shown that • Scaling up of a thin layer made by ALD follows a non-linear scaling law • The surface to volume ratio and thickness scale differently. Scaling exponents are defined by the universality class of the deposition process • This non-linear scaling causes a sharp decline in both volumetric and specific energy and power density compered to standard battery models The developed fractal analysis can be used for multi-scale modeling which in turn enable fast screening and optimization of novel manufacturing technologies. particle y sat ECSA p m m p a A ) ( 1 1 ) ( 1 0 CL particle W m ECSA A n Compositio V CL mY W 1 1 m p k W CL ) ( www.ec.europa.eu/jrc/en Pore-Scale model • Mimicking ALD process • Regenerate porous structure with different interparticle interactions (characterized by sticking probability) 3 Fractal Analysis • Evaluate the effect of loading by using scaling analysis • Determine the universality class and scaling exponents of the regenerated porous layer • Calculate the scaling of thickness, porosity and surface to volume ratio with loading Battery simulation • Incorporation of pore - scale model into Dualfoil LIB model 4 • Simulation of LiCoO 2 – C thin layer battery and its scaling up with loading • C alculate main performance metrics at different current densities and loadings Battery energy storage testing for safe electrification of transport a) b) Fig.2a) shows the calculated average thickness, and Fig. 2b) shows the surface to volume ratio of layers deposited by ALD (normalized with the surface to volume ratio of one particle). 1 3 2 3 2 1 Fig. 3. The calculated gravimetric energy density of ALD Ákos Kriston European Commission - Joint Research Centre Institute for Energy and Transport Tel. +31 (0)224 565483 Email: [email protected] Fig. 5. The calculated gravimetric energy density of a standard battery model Fig. 6. Comparison of Ragone plot of ALD (dash) and standard (line) battery model at different loadings (0.01, 0.12, 0.24, 0.35 kgm -2 ) of LiCoO 2 . Contact Fig. 4. The calculated volumetric energy density of ALD Thickness and volume to surface ratio scale differently in ALD! a) b)
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www.jrc.ec.europa.eu
References [1] M.E. Donders, J. Electrochem. Soc., 160, A3066-A3071.
(2013)
[2] T. F. Fuller et al., J. Electrochem. Soc., 141, 982-990. (1994)
[3] A. Kriston et al., J. Electrochem. Soc. 161, E3235-E3247.
(2014)
[4] Dualfoil battery model of John Newman research group,
http://www.cchem.berkeley.edu/jsngrp/fortran.html
Prediction of volumetric and specific energy and power
density of high-capacity thin layer battery electrodes
using a novel multi-scale modelling framework
Objectives
• To calculate performance metrics of atomic or vapour deposited (ALD) thin layer micro batteries1
• To predict the performance of ALD at higher loadings for larger scale applications (i.e. automotive)
Approach
A pore-scale model nested into a macrohomogeneous2 Li battery model was developed to be able to directly relate the microstructure of the active layer of thin-film batteries to their performance. ALD is a promising method for formation of nanostructured Li alloy layers (e.g. Si, Sn) to mitigate stress, caused by volumetric expansion. Thin nanolayers also exhibit high power and energy density1, however their upscaling needs further analysis.
Ákos Kriston*, Andreas Pfrang* and Branko N. Popov** *European Commission, Joint Research Centre, Institute for Energy and Transport, 1755 LE Petten, The Netherlands
**University of South Carolina, Centre for Electrochemical Engineering, Dept. of Chemical Engineering, Columbia, USA, SC 29208.
Download
from
Slideshare!
17th International Meeting on Lithium Batteries, June 10-14, 2014, in Como, Italy Abstract number=#693
Fig.1a) shows weak (10%) interaction between the particles and b) shows strong attractive forces (60%).The
different colours correspond to the deposition of 1000 particles, while white spaces correspond to open
pores.
Conclusion
The developed method offers an efficient tool not only to predict, but to design high power and high capacity batteries. It is shown that • Scaling up of a thin layer made by ALD
follows a non-linear scaling law • The surface to volume ratio and
thickness scale differently. Scaling exponents are defined by the universality class of the deposition process
• This non-linear scaling causes a sharp decline in both volumetric and specific energy and power density compered to standard battery models
The developed fractal analysis can be used for multi-scale modeling which in turn enable fast screening and optimization of novel manufacturing technologies.
particley
sat ECSA
pm
m
paA
)(1
1)(1
0
CL
particleW
mECSAA
nCompositio
V
CL mYW
1
1 mpkWCL )(
www.ec.europa.eu/jrc/en
Pore-Scale model • Mimicking ALD process
• Regenerate porous structure with different interparticle interactions (characterized by sticking probability)3
Fractal Analysis • Evaluate the effect of loading by
using scaling analysis
• Determine the universality class and scaling exponents of the regenerated porous layer
• Calculate the scaling of thickness, porosity and surface to volume ratio with loading
Battery simulation • Incorporation of pore-scale model
into Dualfoil LIB model4
• Simulation of LiCoO2 – C thin layer battery and its scaling up with loading
• Calculate main performance metrics at different current densities and loadings
Battery energy storage testing for
safe electrification of transport
a) b)
Fig.2a) shows the calculated average thickness, and Fig. 2b) shows the surface to volume ratio of layers
deposited by ALD (normalized with the surface to volume ratio of one particle).
1
3
2
3
2
1
Fig. 3. The calculated gravimetric energy density of ALD
Ákos Kriston
European Commission - Joint Research Centre
Institute for Energy and Transport
Tel. +31 (0)224 565483
Email: [email protected]
Fig. 5. The calculated gravimetric energy density of a
standard battery model Fig. 6. Comparison of Ragone plot of ALD (dash) and
standard (line) battery model at different loadings
(0.01, 0.12, 0.24, 0.35 kgm-2 ) of LiCoO2 .
Contact
Fig. 4. The calculated volumetric energy density of ALD
Thickness and
volume to surface
ratio scale differently
in ALD!
a) b)
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