WG1 Publications Archive

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Dry Reforming of methane on a highly-active Ni-CeO2 catalyst: effects of metal-support interactions on C-H bond breaking

Z. Liu, D. C. Grinter, P. G. Lustemberg, T. Nguyen-Phan, Y. Zhou, S. Luo, I. Waluyo, E. J. Crumlin,D. J. Stacchiola, J. Zhou, J. Carrasco, H. F. Busnengo, M. V. Ganduglia-Pirovano, S. D. Senanayake, and J. A. Rodriguez, Angew. Chem. Int. Ed. 128, 1 (2016).


Reduction of CO2 with Water on Pt-Loaded Rutile TiO2(110) Modeled with Density Functional Theory

N. Umezawa, H. H. Kristoffersen, L. B. Vilhelmsen, and B. Hammer, J. Phys. Chem. C 120, 9160 (2016).

Role of Structural Flexibility on the Physical and Chemical Properties of Metal-Supported Oxide Ultrathin Films

G. Pacchioni, in “Oxide Materials at the Two-Dimensional Limi”t, edited by P. F. Netzer, and A. Fortunelli, Springer Series in Materials Science 234, 91 (2016).

Enhanced Oxidation Activity from Modified Ceria: MnOx-ceria, CrOx-ceria and Mg doped VOx-ceria

M. Nolan and M. V. Ganduglia-Pirovano, Appl. Catal. B: Environ. 197, 313 (2016).

Ag/ZnO hybrid systems studied with scanning tunnelling microscopy-based luminescence spectroscopy

L. Pascua, F. Stavale, N. Nilius, and H.-J. Freund, Journal of Applied Physics 119, 095310 (2016).

A DFT study of the acidic–basic properties of anatase TiO2 and tetragonal ZrO2 by adsorption of CO and CO2 probe molecules

H.-Y. T. Chen, S. Tosoni, and G. Pacchioni, Surf. Sci. 652, 163 (2016).

A perfectly stoichiometric and flat CeO2(111) surface on a bulk-like ceria film

C. Barth, C. Laffon, R. Olbrich, A. Ranguis, P. Parent, M. Reichling, Sci. Rep. 6, 21165 (2016).

Incorrect DFT-GGA predictions of the stability of non-stoichiometric/polar dielectric surfaces: the case of Cu2O(111)

N. Nilius, H. Fedderwitz, Gro, C. Noguera, and J. Goniakowski, Phys. Chem. Chem. Phys. 18, 6729 (2016).

Structure and Properties of Zirconia Nanoparticles from Density Functional Theory Calculations

A. Ruiz Puigdollers, F. Illas, and G. Pacchioni, J. Phys. Chem. C 120, 4392 (2016).

Do Au Atoms Titrate Ce3+ Ions at the CeO2-x (111) Surface?

K. Kosmider, V. Brazdova, M. V. Ganduglia-Pirovano, and R. Perez, J. Phys. Chem. C 120, 927 (2016).