Supporting Information Materials for High Voltage Sodium ... · 1 Supporting Information Insights into the Structural Effects of Layered Cathode Materials for High Voltage Sodium-ion
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1
Supporting Information
Insights into the Structural Effects of Layered Cathode
Materials for High Voltage Sodium-ion BatteriesGui-Liang Xu,1 Rachid Amine,2, 3 Yue-Feng Xu,4 Jianzhao Liu,1,5 Jihyeon Gim, 1
Tianyuan Ma,1, 6 Yang Ren,7 Cheng-Jun Sun,7 Yuzi Liu,8 Xiaoyi Zhang,7 Steve M.
Heald,7 Abderrahim Solhy, 9 Ismael Saadoune,10 Wenjuan Liu Mattis,11 Shi-Gang
Sun,4 Zonghai Chen1,* and Khalil Amine1,*
1Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, USA2 Chemical Engineering Department, University of Illinois at Chicago, Chicago, Illinois 60607, USA3 Materials Science Division, Argonne National Laboratory, 9700 S Cass Ave, Lemont, IL 60439, USA4Collaborative Innovation Center of Chemistry for Energy Materials, State Key Laboratory Physical Chemistry of Solid Surfaces, Department of Chemistry, Xiamen University, Xiamen, 361005, China5Department of Chemistry, Virginia Tech, 900 W Campus Drive, Blacksburg, VA 24061, USA6 Materials Science Program, University of Rochester, Rochester, NY 14627, USA7X-ray Science Division, Argonne National Laboratory, Lemont, IL 60439, USA 8Center for Nanoscale Materials, Nanoscience Technology, Argonne National Laboratory, Lemont, IL 60439, USA9Center for Advanced Materials, Mohammed VI Polytechnic University, Ben Guerir, Morocco10 Materials Science and Nano-engineering Department, Mohammed VI Polytechnic University, Ben Guerir, Morocco11 Microvast Inc., 12603 Southwest Freeway, Stafford, Texas 77477, USA
Figure S6 Full (a) and zoomed (b) synchrotron HEXRD patterns of pristine NCM-Q
electrode and after cycled at 0.5 C for 100 cycles.
11
0 5 10 15 20 25 30 35 40 45 50 55 60 650
40
80
120
160
200 Charge Discharge
Capa
city,
mAh
g-1
Cycle number
2-3.8V, 0.1C
Figure S7 Cycle performance of NCM-Q electrode at 0.1 C within 2.0-3.8 V.
12
0 10 20 30 40 500
200
400
600
800
Ener
gy D
ensit
y, W
h K
g-1
Cycle number
46 W kg-1, 2.0-4.4 V
a
0 500 1000 1500 20000
100
200
300
400
500
600
Ener
gy D
ensit
y, W
h kg
-1
Specific power, W kg-1
b
Figure S8 a) Energy density and b) power density of NCM-Q.
13
Figure S9 HEXRD patterns of deep-charged NCM-Q, NCM-WQ and NCM-600
(4.4V).
14
8330 8340 8350 8360 8370
0.0
0.5
1.0
1.5
2.0
Norm
alize
d Ab
sorp
tion
Inte
nsity
Energy, eV
Pristine C-4.4V D-2.0V
0 1 2 3 4 5 6
Ni-M
FT m
agni
tude
Radial distance (A)
Pristine C-4.4V D-2.0V
Ni-O
7710 7720 7730 7740
0.0
0.5
1.0
1.5
2.0
Norm
alize
d Ab
sorp
tion
Inte
nsity
Energy, eV
Pristine C-4.4V D-2.0V
0 1 2 3 4 5 6
Co-M
FT m
agni
tude
Radial distance (A)
Pristine C-4.4V D-2.0V
Co-O
6540 6550 6560 6570 6580
0.0
0.5
1.0
1.5
2.0
Norm
alize
d Ab
sorp
tion
Inte
nsity
Energy, eV
Pristine C-4.4V D-2.0V
0 1 2 3 4 5 6
Mn-M
FT m
agni
tude
Radial distance (A)
Pristine C-4.4V D-2.0V
Mn-O
o
a
c
e
b
d
f
Figure S10 Ex-situ XANES and EXAFS spectra of the NCM-WQ electrode at
different charge/discharge states: (a, d) Ni K-edge; (b, e) Co K-edge and (c, f) Mn K-
edge. C for charge and D for discharge.
15
8330 8340 8350 8360 8370
0.0
0.5
1.0
1.5
2.0
Norm
alize
d Ab
sorp
tion
Inte
nsity
Energy, eV
Pristine C-4.4V D-2.0V
6540 6550 6560 6570 6580
0.0
0.5
1.0
1.5
2.0
Norm
alize
d Ab
sorp
tion
Inte
nsity
Energy, eV
Pristine C-4.4V D-2.0V
0 1 2 3 4 5 6
FT m
agni
tude
Radial distance (A)
Pristine C-4.4V D-2.0V
0 1 2 3 4 5 6
FT m
agni
tude
Radial distance (A)
Pristine C-4.4V D-2.0V
7710 7720 7730 7740
0.0
0.5
1.0
1.5
2.0
Norm
alize
d Ab
sorp
tion
Inte
nsity
Energy, eV
Pristine C-4.4V D-2.0V
0 1 2 3 4 5 6
FT m
agni
tude
Radial distance (A)
Pristine C-4.4V D-2.0V
a
c
e
b
d
f
Figure S11 Ex-situ XANES and EXAFS spectra of the NCM-600 electrode at
different charge/discharge states: (a, d) Ni K-edge; (b, e) Co K-edge and (c, f) Mn K-
edge. C for charge and D for discharge.
16
8330 8340 8350 8360 8370
0.0
0.5
1.0
1.5
2.0
Norm
alize
d Ab
sorp
tion
Inte
nsity
Energy, eV
Pristine C-4.4V D-2.0V NiO
0 1 2 3 4 5 6
Ni-M Pristine C-4.4V D-2.0V
FT m
agni
tude
Radial distance (A)
Ni-O
8330 8340 8350 8360 8370
0.0
0.5
1.0
1.5
2.0
Norm
alize
d Ab
sorp
tion
Inte
nsity
Energy, eV
Pristine C-4.4V D-2.0V
0 1 2 3 4 5 6
Ni-M
FT m
agni
tude
Radial distance (A)
Pristine C-4.4V D-2.0V
Ni-O
8330 8340 8350 8360 8370
0.0
0.5
1.0
1.5
2.0
Norm
alize
d Ab
sorp
tion
Inte
nsity
Energy, eV
Pristine C-4.4V D-2.0V
0 1 2 3 4 5 6
Ni-O
FT m
agni
tude
Radial distance (A)
Pristine C-4.4V D-2.0V
Ni-M
a
c
e
b
d
f
Figure S12 Ex-situ Ni K-edge XANES and EXAFS for NCM-Q (a, b), NCM-WQ (c,
d) and NCM-600 (e, f) at different charge/discharge states. C for charge and D for
discharge.
17
1 2 3 4 5 6 7
Observed
Inte
nsity
, a.u
.
2-Theta, degree
Calculated Background Difference
0 10 20 30 40 50 60 70 80
2.0
2.5
3.0
3.5
4.0
4.5
5.0
Volta
ge, V
Time, h
15 mA g-1
a b
c
Figure S13 a) Rietveld refinement of HEXRD pattern and b) charge/discharge curves of LiNCM-333, c) in-situ HEXRD pattern of de-lithiated LiNCM-333 with the presence of 2 L electrolytes (1M LiPF6/EC+DMC).