A genetic algorithm for first principles global structure optimization of supported nano structures

L. B. Vilhelmsen and B. Hammer, J. Chem. Phys. 141, 044711 (2014).

Structural and morphological modifications of thermally reduced cerium oxide ultrathin epitaxial films on Pt(111)

P. Luches, F. Pagliuca, and S. Valeri, Phys. Chem. Chem. Phys. 16, 18848 (2014).

Spectromicroscopy of a Model Water–Gas Shift Catalyst: Gold Nanoparticles Supported on Ceria

D. C. Grinter, C. Muryn, B. Santos, B.-J. Shaw, T. O. Menteş, A. Locatelli, and G. Thornton, J. Phys. Chem C 118, 19194 (2014).

Petya Petrova-Shtereva

Institute of Catalysis, BAS, Sofia, Bulgaria
Host Institution: ISMN-CNR, Palermo, Italy
04.05.2014 – 24.05.2014

Ismael Romero

University of Trieste, Italy
Host Institution: University of Cadiz, Spain
01.04.2014 – 31.05.2014

Shaoli Guo

ISMN-CNR, Palermo, Italy
Host Institution: University of Latvia, Institute of Solid State Physics, Riga, Latvia
01.04.2014 – 10.05.2014

Lanthanide – lanthanide and lanthanide – defect interactions in co – doped ceria revealed by luminescence spectroscopy

D. Avram, C. Gheorghe, C. Rotaru, B. Cojocaru, M. Florea, V. Parvulescu, C. Tiseanu, J. Alloy. Compd. 616, 535 (2014).

Effects of non-local exchange on core level shifts for gas-phase and adsorbed molecules

M. Van den Bossche, N. M. Martin, J. Gustafson, C. Hakanoglu, J. F. Weaver, E. Lundgren and H. Grönbeck, J. Chem. Phys. 141, 034706 (2014).

Ketonization of carboxylic acids in biomass conversion over TiO2 and ZrO2 surfaces: a DFT perspective

G. Pacchioni, ACS Catal. 4, 2874 (2014).

DFT studies of oxygen dissociation on the 116-atom platinum truncated octahedron particle.

P.C. Jennings, H.A. Aleksandrov, K.M. Neyman, R.L. Johnston, Phys. Chem. Chem. Phys. 16,  26539 (2014).