The atomic structure of a Σ3 [110]/(111) grain boundary in CeO2 was studied by scanning transmission electron microscopy, electron energy loss spectroscopy, and the first-principles calculations. It was revealed that this grain boundary does not promote the formation of oxygen vacancies and keeps oxygen stoichiometry, which is different from that of Σ5 CeO2 grain boundary studied previously [H. Hojo, T. Mizoguchi, H. Ohta, S. D. Findlay, N. Shibata, T. Yamamoto, and Y. Ikuhara, Nano Lett. 10, 4668 (2010)]. It was found that the difference in grain boundary oxygen stoichiometry is correlated with the grain boundary atomic structure.

1.
A.
Trovarelli
,
Catal. Rev. Sci. Eng.
38
,
439
(
1996
).
2.
B. C. H.
Steele
,
Solid State Ionics
129
,
95
(
2000
).
3.
Y. M.
Chiang
,
E. B.
Lavik
, and
D. A.
Blom
,
Nanostruct. Mater.
9
,
633
(
1997
).
4.
Y. M.
Chiang
,
E. B.
Lavik
,
I.
Kosacki
,
H. L.
Tuller
, and
J. Y.
Ying
,
Appl. Phys. Lett.
69
,
185
(
1996
).
5.
X.
Guo
,
W.
Sigle
, and
J.
Maier
,
J. Am. Ceram. Soc.
86
,
77
(
2003
).
6.
S.
Kim
and
J.
Maier
,
J. Electrochem. Soc.
149
,
73
(
2002
).
7.
S.
Kim
and
J.
Maier
,
J. Eur. Ceram. Soc.
24
,
1919
(
2004
).
8.
X.
Guo
and
R.
Waser
,
Prog. Mater. Sci.
51
,
151
(
2006
).
9.
H.
Hojo
,
T.
Mizoguchi
,
H.
Ohta
,
S. D.
Findlay
,
N.
Shibata
,
T.
Yamamoto
, and
Y.
Ikuhara
,
Nano Lett.
10
,
4668
(
2010
).
10.
C. W. M.
Castleton
,
J.
Kullgren
, and
K.
Hermansson
,
J. Chem. Phys.
127
,
244704
(
2007
).
11.
M.
Imaeda
,
T.
Mizoguchi
,
Y.
Sato
,
H.-S.
Lee
,
S. D.
Findlay
,
N.
Shibata
,
T.
Yamamoto
, and
Y.
Ikuhara
,
Phys. Rev. B
78
,
245320
(
2008
).
12.
H.-S.
Lee
,
T.
Mizoguchi
,
J.
Mistui
,
T.
Yamamoto
,
S.-J.
Kang
, and
Y.
Ikuhara
,
Phys. Rev. B
83
,
104110
(
2011
).
13.
T.
Yamamoto
,
Y.
Sato
,
T.
Tanaka
,
K.
Hayashi
,
Y.
Ikuhara
, and
T.
Sakuma
.
J. Mater. Sci.
40
,
881
(
2005
).
14.
Y.
Ikuhara
,
J. Ceram. Soc. Jpn.
109
,
S110
(
2001
).
15.
H.
Hojo
,
E.
Tochigi
,
T.
Mizoguchi
,
H.
Ohta
,
N.
Shibata
,
B.
Feng
, and
Y.
Ikuhara
,
Appl. Phys. Lett.
98
,
153104
(
2011
).
16.
J. A.
Fortner
and
E. C.
Buck
,
Appl. Phys. Lett.
68
,
3817
(
1996
).
17.
N. V.
Skorodumova
,
S. I.
Simak
,
B. I.
Lundqvist
,
I. A.
Abrikosov
, and
B.
Johansson
,
Phys. Rev. Lett.
89
,
166601
(
2002
).
18.
J. D.
Gale
and
A. L.
Rohl
,
Mol. Simul.
29
,
291
(
2003
).
19.
R.
Astala
and
P. D.
Bristowe
,
J. Phys: Condens. Matter
14
,
13635
(
2002
).
20.
Y.
Sato
,
T.
Mizoguchi
,
F.
Oba
,
Y.
Ikuhara
, and
T.
Yamamoto
,
Phys. Rev. B
72
,
064109
(
2005
).
21.
F.
Oba
,
I.
Tanaka
,
S. R.
Nishitani
,
H.
Adachi
,
B.
Slater
, and
D. H.
Gay
,
Philos. Mag. A
80
,
1567
(
2000
).
22.
L.
Minervini
,
M.
Zacate
, and
M. O. R. W.
Grimes
,
Solid State Ionics
116
,
339
(
1999
).
23.
G.
Kresse
, Ph.D. dissertation,
Technische Universitat
, Berlin,
1993
.
24.
G.
Kresse
and
J.
Furthmuller
,
Comput. Mater. Sci.
6
,
15
(
1996
).
25.
G.
Kresse
and
J.
Furthmuller
,
Phys. Rev. B
54
,
11169
(
1996
).
26.
L. J.
Allen
,
S. D.
Findlay
,
M. P.
Oxley
, and
C. J.
Rossouw
,
Ultramicroscopy
96
,
47
(
2003
).
27.
N.
Shibata
,
F.
Oba
,
T.
Yamamoto
,
Y.
Ikuhara
, and
T.
Sakuma
,
Philos. Mag. Lett.
82
,
393
(
2002
).
28.
N.
Shibata
,
F.
Oba
,
T.
Yamamoto
, and
Y.
Ikuhara
,
Philos. Mag.
84
,
2381
(
2004
).
29.
P. V.
Nerikar
,
K.
Rudman
,
T. G.
Desai
,
D.
Byler
,
C.
Unal
,
K. J.
McClellan
,
S. R.
Phillpot
,
S. B.
Sinnott
,
P.
Peralta
,
B. P.
Uberuaga
 et al.,
J. Am. Ceram. Soc.
94
,
1893
(
2011
).
30.
M.
Yan
,
M.
Sob
,
D. E.
Luzzi
,
V.
Vitek
,
G. J.
Ackland
,
M.
Methfessel
, and
C. O.
Rodriguez
,
Phys. Rev. B
47
,
5571
(
1993
).
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