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Xavier Aparicio Anglès
Xavier Aparicio Anglès
Post-Doctoral Research Associate
Verified email at ucl.ac.uk
Title
Cited by
Cited by
Year
DFT+ U study of the structures and properties of the actinide dioxides
JT Pegg, X Aparicio-Angles, M Storr, NH de Leeuw
Journal of Nuclear Materials 492, 269-278, 2017
1052017
Structural and electrochemical property correlations of metallic nitride endohedral metallofullerenes
MN Chaur, X Aparicio-Angles, BQ Mercado, B Elliott, A Rodríguez-Fortea, ...
The Journal of Physical Chemistry C 114 (30), 13003-13009, 2010
592010
Polyoxometalates adsorbed on metallic surfaces: immediate reduction of [SiW 12 O 40] 4− on Ag (100)
X Aparicio-Angles, P Miró, A Clotet, C Bo, JM Poblet
Chemical Science 3 (6), 2020-2027, 2012
382012
Ab initio study of vacancy formation in cubic LaMnO3 and SmCoO3 as cathode materials in solid oxide fuel cells
E Olsson, X Aparicio-Anglès, NH de Leeuw
The Journal of Chemical Physics 145 (1), 2016
352016
Gadolinium-vacancy clusters in the (111) surface of gadolinium-doped ceria: a density functional theory study
X Aparicio-Angles, A Roldan, NH de Leeuw
Chemistry of Materials 27 (23), 7910-7917, 2015
302015
Counterintuitive Adsorption of [PW11O39]7– on Au(100)
Z Lang, X Aparicio-Angles, I Weinstock, A Clotet, JM Poblet
Inorganic Chemistry 56 (7), 3961-3969, 2017
242017
Towards the computational modelling of polyoxoanions on metal surfaces: IR spectrum characterisation of [SiW 12 O 40] 4− on Ag (111)
X Aparicio-Anglès, A Clotet, C Bo, JM Poblet
Physical Chemistry Chemical Physics 13 (33), 15143-15147, 2011
242011
Computational study of the mixed B-site perovskite SmB x Co 1− x O 3− d (B= Mn, Fe, Ni, Cu) for next generation solid oxide fuel cell cathodes
E Olsson, J Cottom, X Aparicio-Angles, NH de Leeuw
Physical Chemistry Chemical Physics 21 (18), 9407-9418, 2019
202019
A computational study of the electronic properties, ionic conduction, and thermal expansion of Sm 1− x A x CoO 3 and Sm 1− x A x CoO 3− x/2 (A= Ba 2+, Ca 2+, Sr 2+, and x= 0.25 …
E Olsson, X Aparicio-Angles, NH de Leeuw
Physical Chemistry Chemical Physics 19 (21), 13960-13969, 2017
192017
Endohedral metallofullerenes containing lanthanides: a robust yet simple computational approach
X Aparicio-Angles, N Alegret, A Clotet, A Rodriguez-Fortea, JM Poblet
The Journal of Physical Chemistry C 117 (24), 12916-12921, 2013
172013
CO2 and H2 Adsorption and Reaction at Nin/YSZ(111) Interfaces: A Density Functional Theory Study
A Cadi-Essadek, A Roldan, X Aparicio-Anglès, NH De Leeuw
The Journal of Physical Chemistry C 122 (34), 19463-19472, 2018
162018
A DFT+ U study of the structural, electronic, magnetic, and mechanical properties of cubic and orthorhombic SmCoO3
E Olsson, X Aparicio-Anglès, NH de Leeuw
The Journal of chemical physics 145 (22), 2016
162016
Combined density functional theory and molecular dynamics study of Sm 0.75 A 0.25 Co 1− x Mn x O 2.88 (A= Ca, Sr; x= 0.125, 0.25) cathode material for next generation solid …
E Olsson, J Cottom, X Aparicio-Anglès, NH de Leeuw
Physical Chemistry Chemical Physics 22 (2), 692-699, 2020
142020
Electronic structure of IPR and non-IPR endohedral metallofullerenes: Connecting orbital and topological rules
N Alegret, M Mulet-Gas, X Aparicio-Angles, A Rodriguez-Fortea, ...
Comptes Rendus. Chimie 15 (2-3), 152-158, 2012
132012
Modeling of complex interfaces: Gadolinium‐doped ceria in contact with yttria‐stabilized zirconia
X Aparicio‐Anglès, NH Leeuw
Journal of the American Ceramic Society, 2017
92017
Theoretical view on the origin and implications of structural distortions in polyoxometalates
X López, L Vilà-Nadal, X Aparicio-Anglès, JM Poblet
Physics Procedia 8, 94-103, 2010
22010
Counterintuitive Adsorption of [PW11O39] 7-on Au (100)
JM Poblet, Z Lang, X Aparicio-Anglès, I Weinstock, A Clotet
2017
Molecular Dynamic Study of Gadolinium-Doped Ceria and Yttria Stabilized Zirconia Grain Boundaries
X Aparicio Angles, NH de Leeuw
Electrochemical Society Meeting Abstracts 229, 411-411, 2016
2016
Computational modelling of polyoxometalates adsorbed on metallic surfaces
X Aparicio Anglès
Universitat Rovira i Virgili, 2013
2013
Structure and Properties of IPR and Non-IPR Endohedral Metallofullerenes
A Rodríguez-Fortea, N Alegret, X Aparicio-Anglès, M Mulet, JM Poblet
ECS Meeting Abstracts, 1781, 2011
2011
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