WG1 Publications Archive

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A DFT study of Ni clusters deposition on titania and zirconia (101) surfaces

S. Tosoni, H.-Y. T. Chen, and G. Pacchioni, Surf. Sci. 646, 230 (2016).

DFT Study of CO2 Activation on Doped and Ultrathin MgO Films

S. Tosoni, D. Spinnato, and G. Pacchioni, The Journal of Physical Chemistry C 119, 27594 (2015).

Enhanced wetting of Cu on ZnO by migration of subsurface oxygen vacancies

I. Beinik, M. Hellstrom, T. N. Jensen, P. Broqvist, and J. V. Lauritsen, Nat. Commun. 6, 8845 (2015).

Nature of Paramagnetic Species in Nitrogen-Doped SnO2: A Combined Electron Paramagnetic Resonance and Density Functional Theory Study

E. Albanese, C. Di Valentin, G. Pacchioni, F. Sauvage, S. Livraghi and E. Giamello, J. Phys. Chem. C  119, 26895 (2015).

CO Adsorption on a Silica Bilayer Supported on Ru(0001)

P. Schlexer, G. Pacchioni, R. Włodarczyk, and J. Sauer, Surf Sci. 648, 2 (2015).

Chromium-Doped MgO Thin Films: Morphology, Electronic Structure, and Segregation Effects

S. Benedetti, N. Nilius, S. Valeri, J. Phys. Chem C 119, 25469 (2015).

A DFT Study of the Reactivity of Anatase TiO2 and Tetragonal ZrO2 Stepped Surfaces Compared to the Regular (101) Terraces

S. Tosoni, H.-Y. T. Chen and G. Pacchioni, ChemPhysChem 16, 3642 (2015).

Mechanism of the Cyclo-Oligomerisation of C2H2 on Anatase TiO2 (101) and (001) Surfaces and Their Reduction: An Electron Paramagnetic Resonance and Density Functional Theory Study

H.-Y. T. Chen, S. Livraghi, E. Giamello and G. Pacchioni, ChemPlusChem 81, 64 (2015).

Atomic Scale Structure and Reduction of Cerium Oxide at the Interface with Platinum

P. Luches, L. Giordano, V. Grillo, G. C. Gazzadi, S. Prada, M. Campanini, G. Bertoni, C. Magen, F. Pagliuca, G. Pacchioni and S. Valeri, Adv. Mater. Interfaces 2, 1500375 (2015).

Morphology, Work Function, and Silver Ad-Structures of High-Temperature Grown Ultrathin MgO Films on Ag(001)

F. Mechehoud and C. Barth, J. Phys. Chem. C 119, 23990 (2015).