Publications Archive

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Surface Reactions of Dicyclohexylmethane on Pt(111)

C. Gleichweit, M. Amende, O. Höfert, T. Xu, F. Späth, N. Brückner, P. Wasserscheid, J. Libuda, H.-P. Steinrück and C. Papp, J. Phys. Chem. C 119, 20299 (2015).

Thermodynamic properties of neutral and charged oxygen vacancies in BaZrO3 based on first principles phonon calculations

T. S. Bjorheim, M. Arrigoni, D. Gryaznov, E. Kotomin and J. Maier, Phys. Chem. Chem. Phys. 17, 20765 (2015).

Relative stability and reducibility of CeO2 and Rh/CeO2 species on the surface and in the cavities of γ-Al2O3: a periodic DFT study

I. Z. Koleva, H. A. Aleksandrov, G. N. Vayssilov, R. Duarte and J. A. van Bokhoven, Phys. Chem. Chem. Phys. 17, 22389 (2015).

Theoretical models of hydrogen-induced defects in amorphous silicon dioxide

A.-M. El-Sayed, Y. Wimmer, W. Goes, T. Grasser, V. V. Afanas’ev and A. L. Shluger, Phys.l Rev. B 92, 014107 (2015).

Molecular Orientation and Structural Transformations in Phthalic Anhydride Thin Films on MgO(100)/Ag(100)

S. Mohr, T. Xu, T. Döpper, M. Laurin, A. Görling and J. Libuda, Langmuir 31, 7806 (2015).

Adsorption and Activation of CO on Co3O4(111) Thin Films

P. Ferstl, S. Mehl, M. A. Arman, M. Schuler, A. Toghan, B. Laszlo, Y. Lykhach, O. Brummel, E. Lundgren, J. Knudsen, L. Hammer, M. A. Schneider and J. Libuda, J. Phys. Chem. C 119, 16688 (2015).

Influence of support morphology on the bonding of molecules to nanoparticles

C. M. Yim, C. L. Pang, D. R. Hermoso, C. M. Dover, C. A. Muryn, F. Maccherozzi, S. S. Dhesi, R. Pérez and G. Thornton, PNAS 112, 7903 (2015).