WG1 Publications Archive

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Defects at Oxide Surfaces

Springer Series in Surface Sciences, Ed. J. Jupille, G. Thornton, Springer International Publishing,  58 (2015).

Prediction of structural and metal-to-semiconductor phase transitions in nanoscale MoS2, WS2, and other transition metal dichalcogenide zigzag ribbons

F. Güller, A. M. Llois, J. Goniakowski, C. Noguera, Phys. Rev. B 91, 075407 (2015).

In Situ and Theoretical Studies for the Dissociation of Water on an Active Ni/CeO2 Catalyst: Importance of Strong Metal–Support Interactions for the Cleavage of O–H Bonds

J. Carrasco, D. López‐Durán, Z. Liu, T. Duchoň, J. Evans, S. D. Senanayake, E. J. Crumlin, V. Matolín, J. A. Rodríguez, M. V. Ganduglia-Pirovano, Angew. Chemie Int. Ed. 54, 3917 (2015).

Correlation between stoichiometry and surface structure of the polar MgAl2O4(100) surface as a function of annealing temperature

T. N. N. Jensen, M. K. Rasmussen, J. Knudsen, A. Vlad, S. Volkov, E. Lundgren, A. Stierle, and J. V. Lauritsen, Phys. Chem. Chem. Phys. 17, 5795 (2015).

Evolution of the electronic structure of CaO thin films following Mo interdiffusion at high temperature

Y. Cui, Y. Pan, L. Pascua, H. Qiu, C. Stiehler, H. Kuhlenbeck, N. Nilius, and H.-J. Freund, Phys. Rev. B 91, 035418 (2015).

Agglomeration in core-shell structure of CuAg nanoparticles synthesized by the laser ablation of Cu target in aqueous solutions

S. Petrović, B. Salatić, D. Milovanović, V. Lazović, Ž. Lj, M. Trtica, and B. Jelenković, Journal of Optics 17, 025402 (2015).

Phonon-Mediated Electron Transport through CaO Thin Films

Y. Cui, S. Tosoni, W. D. Schneider, G. Pacchioni, N. Nilius, H.-J. Freund, Phys. Rev. Lett. 114, 016804 (2015).

Adsorption of Ruthenium Atoms and Clusters on Anatase TiO2 and Tetragonal ZrO2 (101) Surfaces: a Comparative DFT Study

H. Y. T. Chen, S. Tosoni, G. Pacchioni, J. Phys. Chem C 119, 10856 (2015).

Collective Diffusion of Gold Clusters and F-Centers at MgO(100) and CaO(100) Surfaces

Z. Sljivancanin, J. Phys. Chem. C 118, 28720 (2014).

Ceria Nanocrystals Exposing Wide (100) Facets: Structure and Polarity Compensation

Y. Pan, N. Nilius, C. Stiehler, H. -J. Freund, J. Goniakowski, and C. Noguera, Adv. Mater. Interfaces 1, 1400404 (2014).