Publications Archive

Click on title to be redirected to the paper (DOI link).

Synthesis, characterization and catalytic properties of La(Ni,Fe)O3–NiO nanocomposites

F. Djani , M. Omari, A. Martínez-Arias, J. Sol-Gel Sci. Technol. 78, 1 (2015).

Porphyrin Metalation at MgO Surfaces: A Spectroscopic and Quantum Mechanical Study on Complementary Model Systems

J. Schneider, M. Franke, M. Gurrath, M. Röckert, T. Berger, J. Bernardi, B. Meyer, H.-P. Steinrück, O. Lytken and O. Diwald, Chem. Eur. Journ. 22, 1744 (2015).

Counting electrons on supported nanoparticles

Y. Lykhach, S. M. Kozlov, T. Skala, A. Tovt, V. Stetsovych, N. Tsud, F. Dvorak, V. Johanek, A. Neitzel, J. Myslivecek, S. Fabris, V. Matolin, K. M. Neyman and J. Libuda, Nat. Mater. 15, 284 (2016).

Reactivity of metal oxide nanocluster modified rutile and anatase TiO2: Oxygen vacancy formation and CO2 interaction

M. Fronzi, W. Daly, and M. Nolan, Applied Catalysis A: General 521, 240 (2015).

Visible Light-Driven H2 Production over Highly Dispersed Ruthenia on Rutile TiO2 Nanorods

T.-D. Nguyen-Phan, S. Luo, D. Vovchok, J. Llorca, J. Graciani, J. Fdez Sanz, S. Sallis, W. Xu, J. Bai, L. F. J. Piper, D. E. Polyansky, E. Fujita, S. D. Senanayake, D. J. Stacchiola and J. A. Rodriguez, ACS Catal. 6, 407 (2015).

Photocatalytic transformation of CO2 to CH4 and CO on acidic surface of TiO2 anatase

S. Civiš, M. Ferus, A. Knížek, P. Kubelík, L. Kavan, and M. Zukalová, Opt. Mater. 56, 80 (2015).

DFT Study of CO2 Activation on Doped and Ultrathin MgO Films

S. Tosoni, D. Spinnato, and G. Pacchioni, The Journal of Physical Chemistry C 119, 27594 (2015).

Enhanced wetting of Cu on ZnO by migration of subsurface oxygen vacancies

I. Beinik, M. Hellstrom, T. N. Jensen, P. Broqvist, and J. V. Lauritsen, Nat. Commun. 6, 8845 (2015).

Nature of Paramagnetic Species in Nitrogen-Doped SnO2: A Combined Electron Paramagnetic Resonance and Density Functional Theory Study

E. Albanese, C. Di Valentin, G. Pacchioni, F. Sauvage, S. Livraghi and E. Giamello, J. Phys. Chem. C  119, 26895 (2015).

Treatment of delocalized electron transfer in periodic and embedded cluster DFT calculations: The case of Cu on ZnO (10 -1 0)

M. Hellström, D. Spångberg, and K. Hermansson, J. Comput. Chem. 36, 2394 (2015).