Publications Archive

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A DFT study of oxygen dissociation on platinum based nanoparticles

P. C. Jennings, H. A. Aleksandrov, K. M. Neyman, R. L. Johnston, Nanoscale 6, 1153 (2014).

Bandgap engineering through nanoporosity

I. Demiroglu, S. Tosoni, F. Illas, S. T. Bromley, Nanoscale 6, 1181 (2014).

Impact of strain on the passivation efficiency of Ge dangling bond interface defects in condensation grown SiO2/GexSi1-x/SiO2/(1 0 0)Si structures with nm-thin GexSi1-x layers

O. Madia , A.P.D. Nguyen, N.H. Thoan, V. Afanas’ev, A. Stesmans, L. Souriau, J. Slotte, F. Tuomisto, Appl. Surf. Sci. 291, 11 (2014).

Electrochemical performance of SOFC with an anode based on Cu-Ni/CeO2 for methane direct oxidation

A. Hornés, M. J. EscuderoL. Daza, A. Martínez-Arias, J. Power Sources, 249, 520 (2014).

Capacitive contribution to Li-storage in TiO2 (B) and TiO2 (anatase)

B. Laskova, M. Zukalova, A. Zukal, M. Bousa, L. Kavan, J. Power Sources 246, 103 (2014).

The water–gas shift reaction over CeO2/CuO: Operando SSITKA–DRIFTS–mass spectrometry study of low temperature mechanism

A. L. Cámara, S. Chansai, C. Hardacre, A. Martínez-Arias, Int. Journ. Hydr. En. 39, 4095 (2014).

Origin of chemical contrast in low-energy electron reflectivity of correlated multivalent oxides: the case of ceria.

J. I. Flege, B. Kaemena, A. Meyer, J. Falta, S. D. Senanayake, J. T. Sadowski, R. D. Eithiraj, and E. E. Krasovski, Phys. Rev. B 88, 235428 (2013).

Theoretical study of the Fluorine doped anatase surfaces

Y. Ortega, O. Lamiel-Garcia, D. Fernandez Hevia, S. Tosoni, J. Oviedo, M. A. San-Miguel, F. Illas, Surf. Sci. 618, 154 (2013).

A density functional theory study of atomic steps on stoichiometric rutile TiO2(110)

J. Stausholm-Moller, H. H. Kristoffersen, U. Martinez, B. Hammer,  J. Chem. Phys. 139, 234704 (2013).