WG1 Publications Archive

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Analysis of energy gap opening in graphene oxide

M. Lundie, Ž. Šljivančanin, and S. Tomić, J. Phys.: Conf. Ser. 526, 012003 (2014).

Nb-doped CaO: an efficient electron donor system

S. Prada, L. Giordano, G. Pacchioni, J. Phys.: Condens. Mat. 26, 315004(6) (2014).

Two-Dimensional Oxides and Their Role in Electron Transfer Mechanisms with Adsorbed Species

G. Pacchioni, Chem. Rec. 14, 910 (2014).

Adsorption of thioether molecules on an alumina thin film

Y. Pan, N. Nilius, W.-D. Schneider, H.-J. Freund, Surf. Sci. 628, 111 (2014).

Spectroscopic Properties of Doped and Defective Semiconducting Oxides from Hybrid Density Functional Calculations

C. Di Valentin and G. Pacchioni, Acc. Chem. Res. 47, 3233 (2014).

Surface defects and their impact on the electronic structure of Mo-doped CaO films: an STM and DFT study

Y. Cui, X. Shao, S. Prada, L. Giordano, G. Pacchioni, H.-J. Freund and N. Nilius, Phys. Chem. Chem. Phys. 16, 12764 (2014).

Identification of the Catalytic Site at the Interface Perimeter of Au Clusters on Rutile TiO2 (110)

L. B. Vilhelmsen and B. Hammer, ACS Catal. 4, 1626 (2014).

A well-structured metastable ceria surface

R. Olbrich, H. H. Pieper, R. Oelke, H. Wilkens, J. Wollschläger, M. H. Zoellner, T. Schroeder, M. Reichling, Appl. Phys. Lett. 104, 081910 (2014).

Reactivity of Ultra-Thin ZnO Films Supported by Ag(111) and Cu(111): A Comparison to ZnO/Pt(111)

Q. Pan, B. H. Liu, M. E. McBriarty, Y. Martynova, I. M. N. Groot, S. Wang, M. J. Bedzyk, S. Shaikhutdinov & H.-J. Freund, Catal. Lett.  144, 648 (2014).

Identification of Active Sites in a Realistic Model of Strong Metal–Support Interaction Catalysts: The Case of Platinum (1 1 1)-Supported Iron Oxide Film

L. Giordano, G. Pacchioni, C. Noguera, J. Goniakowski, ChemCatChem 6, 185 (2014).