Publications Archive

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Properties of Pt-supported iron oxide ultra-thin films: Similarity of Hubbard-corrected and hybrid density functional theory description

S. Prada, L. Giordano, G. Pacchioni, C. Noguera, and J. Goniakowski, J. Chem. Phys. 141, 144702 (2014).

From Monomer to Monolayer: a Global Optimisation Study of (ZnO)n Nanoclusters on the Ag Surface

I. Demiroglu, S. M. Woodley, A. A. Sokol and S. T. Bromley, Nanoscale 6, 14754 (2014).

Surface Sites on Pt− CeO2 Mixed Oxide Catalysts Probed by CO Adsorption: A Synchrotron Radiation Photoelectron Spectroscopy Study

A. Neitzel, Y. Lykhach, T. Skála, N. Tsud, M. Vorokhta, D. Mazur, K. C. Prince, V. Matolín and J. Libuda, Phys. Chem. Chem. Phys. 16, 24747 (2014).

Generation of Si dangling bond defects at Si/insulator interfaces induced by oxygen scavenging

F. Cerbu, A. P. D. Nguyen, J. Kepa, V. V. Afanas’ev, and A. Stesmans, Phys. Sol. Stat. B 251, 2193 (2014).

Support Effect in Oxide Catalysis: Methanol Oxidation on Vanadia/Ceria

T. Kropp, J. Paier, J. Sauer, J. Am. Chem. Soc. 136, 14616 (2014).

First principles investigation of anion-controlled red shift in light absorption in ZnX (X = O, S, Se) nanocluster modified rutile TiO2

A. Iwaszuk, A. K. Lucid, K. M. Razeeba and M. Nolan, J. Mater. Chem. A 2, 18796 (2014).

Complete benzene oxidation over mono and bimetallic Au-Pd catalysts supported on Fe-modified ceria

T. Tabakova, L. Ilieva, P. Petrova, A.M. Venezia, G. Avdeev, R. Zanella, Y. Karakirova, Chem. Eng. Journ. 260,133 (2015).

Charge transition level of GePb1 centers at interfaces of SiO2/GexSi1-x/SiO2 heterostructures investigated by positron annihilation spectroscopy

O. Madia, N. Segercrantz, V. Afanas’ev, A. Stesmans, L. Souriau, J. Slotte, F. Tuomisto, Phys. Stat. Sol. 251, 2211 (2014).

Methane Oxidation on Pd@ZrO2/Si–Al2O3 Is Enhanced by Surface Reduction of ZrO2

C. Chen, Y.-H. Yeh, M. Cargnello,C. B. Murray, P. Fornasiero, and R. J. Gorte, ACS Catal. 4, 3902 (2014).