Polarization of molecular angular momentum in the chemical reactions Li + HF and F + HD
Mikhail B. Krasilnikov, Ruslan S. Popov, Octavio Roncero, Dario De Fazio, Simonetta Cavalli, Vincenzo Aquilanti, Oleg S. Vasyutinskii
2013
The Journal of Chemical Physics
Signature of Two-Electron Interference in Angular Resolved Double Photoionization of Mg
E. Sokell, P. Bolognesi, A. Kheifets, I. Bray, S. Safgren, L. Avaldi
2013
Physical Review Letters
The Role of the Partner Atom and Resonant Excitation Energy in Interatomic Coulombic Decay in Rare Gas Dimers
Patrick O’Keeffe, Enrico Ripani, Paola Bolognesi, Marcello Coreno, Michele Devetta, Carlo Callegari, Michele Di Fraia, Kevin Charles Prince, Robert Richter, Michele Alagia, Antti Kivimäki, Lorenzo Avaldi
2013
The Journal of Physical Chemistry Letters
Stabilization of tetragonal/cubic phase in Fe doped zirconia grown by atomic layer deposition
A. Lamperti, E. Cianci, R. Ciprian, D. Sangalli, A. Debernardi
2013
Thin Solid Films
Competition between the electronic and phonon–mediated scattering channels in the out–of–equilibrium carrier dynamics of semiconductors: an ab-initio approach
Andrea Marini
2012
Journal of Physics: Conference Series
A hybrid zinc phthalocyanine/zinc oxide system for photovoltaic devices: a DFT and TDDFPT theoretical investigation
Giuseppe Mattioli, Francesco Filippone, Paola Alippi, Paolo Giannozzi, Aldo Amore Bonapasta
2012
J. Mater. Chem.
Zinc Oxide–Zinc Phthalocyanine Interface for Hybrid Solar Cells
Giuseppe Mattioli, Claudio Melis, Giuliano Malloci, Francesco Filippone, Paola Alippi, Paolo Giannozzi, Alessandro Mattoni, Aldo Amore Bonapasta
2012
The Journal of Physical Chemistry C
Clusters and Magnetic Anchoring Points in (Ga,Fe)N Condensed Magnetic Semiconductors
Francesco Filippone, Giuseppe Mattioli, Paola Alippi, Aldo Amore Bonapasta
2011
Physical Review Letters
Protonation states in a cobalt-oxide catalyst for water oxidation: fine comparison of ab initio molecular dynamics and X-ray absorption spectroscopy results
Giuseppe Mattioli, Marcel Risch, Aldo Amore Bonapasta, Holger Dau, Leonardo Guidoni
2011
Physical Chemistry Chemical Physics
Synthesis of a novel unsymmetrical Zn(ii ) phthalocyanine bearing a phenyl ethynyl moiety as sensitizer for dye-sensitized solar cells
Gloria Zanotti, Nicola Angelini, Anna Maria Paoletti, Giovanna Pennesi, Gentilina Rossi, Aldo Amore Bonapasta, Giuseppe Mattioli, Aldo Di Carlo, Thomas M. Brown, Angelo Lembo, Andrea Reale
2011
Dalton Trans.
Deep versus Shallow Behavior of Intrinsic Defects in Rutile and Anatase TiO2 Polymorphs
Giuseppe Mattioli, Paola Alippi, Francesco Filippone, Ruggero Caminiti, Aldo Amore Bonapasta
2010
The Journal of Physical Chemistry C
Controlling the Magnetic Properties of a Single Phthalocyanine Molecule through its Strong Coupling with the GaAs Surface
G. Mattioli, F. Filippone, A. Amore Bonapasta
2010
The Journal of Physical Chemistry Letters
Oxygen vacancies and OH species in rutile and anatase TiO2 polymorphs
Aldo Amore Bonapasta, Francesco Filippone, Giuseppe Mattioli, Paola Alippi
2009
Catalysis Today
Investigation of Halogenated Pyrimidines by X-ray Photoemission Spectroscopy and Theoretical DFT Methods
P. Bolognesi, G. Mattioli, P. O’Keeffe, V. Feyer, O. Plekan, Y. Ovcharenko, K. C. Prince, M. Coreno, A. Amore Bonapasta, L. Avaldi
2009
The Journal of Physical Chemistry A
Properties of hydrogen and hydrogen–vacancy complexes in the rutile phase of titanium dioxide
F. Filippone, G. Mattioli, P. Alippi, A. Amore Bonapasta
2009
Physical Review B