Xavier Aparacio-Angles

Dr Xavier Aparicio-Angles

Email: x.aparicio-angles@ucl.ac.uk

 

Originally from Catalunya, Spain, Xavier studied Chemistry at the University Rovira i Virgili in Tarragona (2008). He holds a MSc in Theoretical and computational chemistry, as well as a MSc in Teaching Education. Xavier obtained his PhD (2013) in the Universitat Rovira i Virgili, which was devoted to set up a computational strategy to model and study the adsorption of polyoxoanions on metallic surfaces at the solid-liquid interface.

In October 2013 he joined the group of Prof. Nora de Leeuw working on the EPSRC funded project “Energy Materials, Computational Solutions”, where he was studying the gadolinium-doped ceria and yttria-stabilized zirconia interface. Then in 2015, he joined the 4CU project, studying the Ni-GDC interfaces and SmCoO3 based materials, as part of SP5 sub-project.

4CU Publications:

“Gadolinium-Vacancy Clusters in the (111) Surface of Gadolinium-Doped Ceria: A Density Functional Theory Study”, X. Aparicio-Angles, A. Roldan, N.H. de Leeuw, Chemistry of Materials – DOI: 10.1021/acs.chemmater.5b02861

“Ab initio study of vacancy formation in LaMnO3 and SmCoO3 for solid oxide fuel cell applications”, E. Olsson, X. Aparicio-Anglès, and N. H. de Leeuw, The Journal of Chemical Physics – DOI: 10.1063/1.4954939

“A DFT+U study of the structural, mechanical, electronic, and magnetic properties of the cubic and orthorhombic SmCoO3”, E. Olsson, X. Aparicio-Anglès, and N. H. de Leeuw, The Journal of Chemical Physics – DOI: 10.1063/1.4971186

 

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