Hydrogen Adsorption, Dissociation, and Spillover on Ru10 Clusters Supported on Anatase TiO2 and Tetragonal ZrO2(101) Surfaces

H.-Y. T. Chen, S. Tosoni and G. Pacchioni, ACS Catal. 5, 5486 (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).

WG3 Meeting

Poznan, 26. – 27. November 2015

The WG3 meeting was organizaed by Izabela Nowak at the Adam Mickiewicz University in Poznan (Poland). >>>

WG4 Meeting

Salzburg, 22. – 23. October 2015

Salzburg_WG4_meeting_group_large_croppedThe WG4 meeting was held at the Department of Materials Science and Physics of the University of Salzburg (Austria) with Oliver Diwald acting as the Local Organiser. The meeting was focused on SrTiO3 and TiO2 as materials, charge trapping in oxides and oxides tailored to applications in solid oxide fuel cells.

WG1 + WG2 Meeting

Krakow, 8. – 9. October 2015

jagiellonian_krakowThe joint WG1 + WG2 meeting was held at the Faculty of Chemistry of the Jagiellonian University in Krakow (Poland) with Zbigniew Sojka acting as the Local Organiser. The meeting consisted of contributed talks by Action members and stimulating invited talks from external speakers. The meeting represented a further excellent occasion to discuss progress in the participating Working Groups and to share recent advances in theoretical and experimental studies. Present trends and strategies for future work have lively been discussed. >>>

The Action leaves a big footprint at the 2015 fall meeting of the American Chemical Society

Boston, 16. – 20. August 2015

Action activities have been highlighted at the 250th American Chemical Society National Meeting & Exhibition gathering 15000 participants from all fields of chemistry. In the Division of Energy and Fuels, Sanjaya Senanayake (Brookhaven National Laboratory) and Zili Wu (Oak Ridge National Laboratory) organised a topical session on “Advances in Ceria Based Catalysis: Structural, Electronic & Chemical Properties Tailored for Chemical Conversion”. From the total of 38 speakers in this session, not less than 15 Action members have been invited for a presentation; an overseas family reunion for the European crowd active in ceria research and a great opportunity to showcase the Action.

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).

Exploring routes to tailor the physical and chemical properties of oxides via doping: an STM study

N. Nilius, J. Phys.: Condens. Matter 27, 303001 (2015).