Sfoglia per Autore
A theoretical study of the occupied and unoccupied electronic structure of high-and intermediate-spin transition metal phthalocyaninato (Pc) complexes: VPc, CrPc, MnPc, and FePc
2021 Carlotto, S.; Sambi, M.; Sedona, F.; Vittadini, A.; Casarin, M.
Oxygen Reduction Reaction at Single-Site Catalysts: A Combined Electrochemical Scanning Tunnelling Microscopy and DFT Investigation on Iron Octaethylporphyrin Chloride on HOPG**
2021 Facchin, A.; Zerbetto, M.; Gennaro, A.; Vittadini, A.; Forrer, D.; Durante, C.
DFT modelling of the CO-NO redox reaction at Cu-doped SrTiO3(1 0 0) stepped surface: CO oxidation at lattice O ions
2020 Carlotto, S; Vittadini, A; Casarin, M
DFT modelling of the NO reduction process at the Cu-doped SrTiO3(1 0 0) stepped surface
2020 Carlotto, S.; Vittadini, A.; Casarin, M.
Adsorption and reactivity of CO at a stepped SrTiO3(1 0 0) surface in the presence of Cu impurities
2020 Carlotto, S.; Glisenti, A.; Vittadini, A.; Casarin, M.
In-Depth Study of ZnS Nanoparticle Surface Properties with a Combined Experimental and Theoretical Approach
2020 Dengo, N.; Vittadini, A.; Natile, M. M.; Gross, S.
Synthesis and Development of Four Way Catalysts Starting from Critical Raw Material Free Perovskites: Influence of Doping and Synthesis Conditions
2019 DE ZANET, Andrea; Peron, G.; Natile, M. M.; Vittadini, A.; Glisenti, A.
Tuning dispersion correction in DFT-D2 for metal-molecule interactions: A tailored reparameterization strategy for the adsorption of aromatic systems on Ag(1 1 1)
2018 Schiavo, Eduardo; Muñoz-García, Ana B.; Barone, Vincenzo; Vittadini, Andrea; Casarin, Maurizio; Forrer, Daniel; Pavone, Michele
Catalytic Mechanisms of NO Reduction in a CO-NO Atmosphere at Co- and Cu-Doped SrTiO3(100) Surfaces
2018 Carlotto, Silvia; Natile, Marta Maria; Glisenti, Antonella; Vittadini, Andrea
Small Copper Clusters Supported on SrTiO3: An Experimental and Theoretical Study
2018 Natile, Marta M.; Carlotto, Silvia; Bizzotto, Gianmaria; Vittadini, Andrea; Glisenti, Antonella
On-Surface Synthesis of a Pure and Long-Range-Ordered Titanium(IV)-Porphyrin Contact Layer on Titanium Dioxide
2017 Lovat, Giacomo; Forrer, Daniel; Abadia, Mikel; Dominguez, Marcos; Casarin, Maurizio; Rogero, Celia; Vittadini, Andrea; Floreano, Luca
Mn(acac)2 and Mn(acac)3 complexes, a theoretical modeling of their L2,3-edges X-ray absorption spectra
2017 Carlotto, Silvia; Sambi, Mauro; Vittadini, Andrea; Casarin, Maurizio
Functionalisation of colloidal transition metal sulphides nanocrystals: A fascinating and challenging playground for the chemist
2017 Gross, Silvia; Vittadini, Andrea; Dengo, Nicola
Very high temperature tiling of tetraphenylporphyrin on rutile TiO2(110)
2017 Lovat, Giacomo; Forrer, Daniel; Abadia, Mikel; Dominguez, Marcos; Casarin, Maurizio; Rogero, Celia; Vittadini, Andrea; Floreano, Luca
Theoretical modeling of the L2,3-edge X-ray absorption spectra of Mn(acac)2 and Co(acac)2 complexes
2016 Carlotto, Silvia; Sambi, Mauro; Vittadini, Andrea; Casarin, Maurizio
L2,3-edges absorption spectra of a 2D complex system: a theoretical modelling
2016 Carlotto, Silvia; Sambi, Mauro; Sedona, Francesco; Vittadini, Andrea; Bartolomé, J.; Bartolomé, F.; Casarin, Maurizio
Electrochemical Behavior of TiOxCy as Catalyst Support for Direct Ethanol Fuel Cells at Intermediate Temperature: From Planar Systems to Powders
2016 CALVILLO LAMANA, Laura; García, Gonzalo; Paduano, Andrea; Guillen Villafuerte, Olmedo; Valero Vidal, Carlos; Vittadini, Andrea; Bellini, Marco; Lavacchi, Alessandro; Agnoli, Stefano; Martucci, Alessandro; Kunze Liebhäuser, Julia; Pastor, Elena; Granozzi, Gaetano
Electronic structures of CuTPP and CuTPP(F) complexes. A combined experimental and theoretical study I
2016 Mangione, Giulia; Carlotto, Silvia; Sambi, Mauro; Ligorio, Giovanni; Timpel, Melanie; Vittadini, Andrea; Nardi, Marco Vittorio; Casarin, Maurizio
Electronic structure of CuTPP and CuTPP(F) complexes: A combined experimental and theoretical study II
2016 Mangione, Giulia; Sambi, Mauro; Carlotto, Silvia; Vittadini, Andrea; Ligorio, Giovanni; Timpel, Melanie; Pasquali, Luca; Giglia, Angelo; Nardi, Marco Vittorio; Casarin, Maurizio
Hydrogen capture by porphyrins at the TiO2(110) surface
2015 Lovat, Giacomo; Forrer, Daniel; Abadia, Mikel; Dominguez, Marcos; Casarin, Maurizio; Rogero, Celia; Vittadini, Andrea; Floreano, Luca
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