Poster presentation at the 17th IMLB conference

1. 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
pa
A























)(
1
1)(
1
0
CL
particle
W
m
ECSAA 
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: akos.kriston@ec.europa.eu
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)