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).

Theoretical modeling of antiferrodistortive phase transition for SrTiO3 ultrathin films

E. Blokhin, R. A. Evarestov, D. Gryaznov, E. A. Kotomin, and J. Maier, Phys. Rev. B 88, 241407(R) (2013).

Interaction of Rh with Rh Nanoparticles Encapsulated by Ordered Ultrathin TiO1+x Film on TiO2(110) Surface

A. Berko, R. Gubo, L. Ovari, L. Bugyi, I. Szenti, Z. Konya, Langmuir 29, 15868 (2013).

Electronic and chemical properties of a surface terminated screw

K. P. McKenna, J. Am. Chem. Soc. 135, 18859 (2013).

Electronic and Chemical Properties of a Surface-Terminated Screw Dislocation in MgO

K. P. McKenna, Journal of the American Chemical Society 135, 18859 (2013).

Energetics of Water Oxidation Catalyzed by Cobalt Oxide Nanoparticles: Assessing the Accuracy of DFT and DFT+U Approaches Against Coupled Cluster Methods

K. Kwapien, S. Piccinin, and S. Fabris, J. Phys Chem Letters 4, 4223 (2013).

Interfacial oxygen under TiO2 supported Au clusters revealed by a genetic algorithm search

L. B. Vilhelmsen and B. Hammer, J. Chem. Phys. 139, 204701 (2013).

Local structure and nanoscale homogeneity of CeO2-ZrO2: differences and similarities to parent oxides revealed by luminescence with temporal and spectral resolution

C. Tiseanu, V.I. Parvulescu, D. Avram, B. Cojocaru, Ni. Apostol, A.V. Vela-Gonzalez, M. Sanchez-Dominguez, Phys. Chem. Chem. Phys. 16, 5793 (2014).