Publications Archive

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Theoretical description of metal/oxide interfacial properties: The case of MgO/Ag(001)

S. Prada, L. Giordano, G. Pacchioni, and J. Goniakowski, Appl. Surf. Sci. 390, 578 (2016).

H2O2 sensing enhancement by mutual integration of single walled carbon nanohorns with metal oxide catalysts: The CeO2 case

M. V. Bracamonte, M. Melchionna, A. Giuliani, L. Nasi, C. Tavagnacco, M. Prato, and P. Fornasiero, Sensor Actuat. B: Chem. 239, 923 (2017).

Magnetic properties of nitrogen-doped ZrO2: Theoretical evidence of absence of room temperature ferromagnetism

E. Albanese, M. Leccese, C. Di Valentin, and G. Pacchioni, Sci. Rep. 6, 31435 (2016).

Low Valence Cation Doping of Bulk Cr2O3: Charge Compensation and Oxygen Vacancy Formation

J. J. J. Carey, M. Legesse, and M. Nolan, J. Phys. Chem. C 120, 19160 (2016).

Structural, electronic and adsorption properties of Rh(111)/Mo(110) bimetallic catalyst: A DFT study

K. Palotás, I. Bakó, L. Bugyi, Appl. Surf. Sci. 389, 1094 (2016).

KOH-promoted Pt/Al2O3 Catalysts for Water Gas Shift and Methanol Steam Reforming: an Operando DRIFTS-MS study

A. Kaftan, M. Kusche, M. Laurin, P. Wasserscheid, and J. Libuda, Appl. Catal. B: Environm. 201, 169 (2016).

Stabilization of Small Platinum Nanoparticles on Pt–CeO2 Thin Film Electrocatalysts During Methanol Oxidation

O. Brummel, F. Waidhas, F. Faisal, R. Fiala, M. Vorokhta, I. Khalakhan, M. Dubau, A. Figueroba, G. Kovács, H. A. Aleksandrov, G. N. Vayssilov, S. M. Kozlov, K. M. Neyman, V. Matolín, J. Libuda, J. Phys. Chem. C 120, 19723 (2016).

Ionic-liquid-modified hybrid materials prepared by physical vapor co-deposition: cobalt and cobalt oxide nanoparticles in [C1C2Im][OTf] monitored by in-situ IR spectroscopy

S. Mehl, T. Bauer, O. Brummel, K. Pohako-Esko, P. S. Schulz, P. Wasserscheid, and J. Libuda, Langmuir 32, 8613 (2016).

Deep electron and hole polarons and bipolarons in amorphous oxide

M. Kaviani, J. Strand, V. V. Afanas’ev, and A. L. Shluger, Phy.s Rev. B 94, 020103 (2016).

A multi-technique comparison of the electronic properties of pristine and nitrogen-doped polycrystalline SnO2

E. Giamello, N. Barbero, S. Agnoli, C. Barolo, G. Granozzi, F. Sauvage, Phys. Chem. Chem. Phys. 18, 22617 (2016).