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Number of items: 6.
Article
Aparicio-Anglès, X;
De Leeuw, NH;
(2017)
Modeling of complex interfaces: Gadolinium-doped ceria in contact with yttria-stabilized zirconia.
Journal of the American Ceramic Society
, 100
(7)
pp. 3329-3339.
10.1111/jace.14858.
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Aparicio-Angles, X;
Roldan, A;
de Leeuw, NH;
(2015)
Gadolinium-Vacancy Clusters in the (111) Surface of Gadolinium-Doped Ceria: A Density Functional Theory Study.
Chemistry of Materials
, 27
(23)
pp. 7910-7917.
10.1021/acs.chemmater.5b02861.
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Olsson, E;
Aparicio-Angles, X;
de Leeuw, NH;
(2016)
A DFT plus U study of the structural, electronic, magnetic, and mechanical properties of cubic and orthorhombic SmCoO3.
Journal of Chemical Physics
, 145
(22)
, Article 224704. 10.1063/1.4971186.
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Olsson, E;
Aparicio-Angles, X;
de Leeuw, NH;
(2016)
Ab initio study of vacancy formation in cubic LaMnO3 and SmCoO3 as cathode materials in solid oxide fuel cells.
Journal of Chemical Physics
, 145
(1)
, Article 014703. 10.1063/1.4954939.
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Olsson, E;
Cottom, J;
Aparicio-Anglès, X;
de Leeuw, NH;
(2019)
Computational study of the mixed B-site perovskite SmBxCo1-xO3-d (B = Mn, Fe, Ni, Cu) for next generation solid oxide fuel cell cathodes.
Physical Chemistry Chemical Physics
, 21
(18)
pp. 9407-9418.
10.1039/c9cp00995g.
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Pegg, JT;
Aparicio-Angles, X;
Storr, M;
de Leeuw, NH;
(2017)
DFT plus U study of the structures and properties of the actinide dioxides.
JOURNAL OF NUCLEAR MATERIALS
, 492
pp. 269-278.
10.1016/j.jnucmat.2017.05.025.
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