Zn vacancy induced green luminescence on non-polar surfaces in ZnO nanostructures F Fabbri, M Villani, A Catellani, A Calzolari, G Cicero, D Calestani, ...
Scientific reports 4 (1), 5158, 2014
193 2014 Bulk and surface electronic structure of hexagonal boron nitride A Catellani, M Posternak, A Baldereschi, AJ Freeman
Physical Review B 36 (11), 6105, 1987
188 1987 Ab initio study of the spontaneous polarization of pyroelectric BeO M Posternak, A Baldereschi, A Catellani, R Resta
Physical review letters 64 (15), 1777, 1990
157 1990 Anchor group versus conjugation: Toward the gap-state engineering of functionalized ZnO (1010) surface for optoelectronic applications A Calzolari, A Ruini, A Catellani
Journal of the American Chemical Society 133 (15), 5893-5899, 2011
122 2011 Atomic control of water interaction with biocompatible surfaces: the case of SiC (001) G Cicero, A Catellani, G Galli
Physical review letters 93 (1), 016102, 2004
122 2004 New energy with ZnS: novel applications for a standard transparent compound P D’Amico, A Calzolari, A Ruini, A Catellani
Scientific reports 7 (1), 16805, 2017
116 2017 Transparent conductive oxides as near-IR plasmonic materials: the case of Al-doped ZnO derivatives A Calzolari, A Ruini, A Catellani
ACS Photonics 1 (8), 703-709, 2014
107 2014 Reconstruction and thermal stability of the cubic SiC (001) surfaces A Catellani, G Galli, F Gygi
Physical review letters 77 (25), 5090, 1996
94 1996 Water adsorption on nonpolar ZnO (1010) surface: A microscopic understanding A Calzolari, A Catellani
The Journal of Physical Chemistry C 113 (7), 2896-2902, 2009
93 2009 Atomic and electronic structure of the nonpolar M Bertelli, P Löptien, M Wenderoth, A Rizzi, RG Ulbrich, MC Righi, ...
Physical Review B—Condensed Matter and Materials Physics 80 (11), 115324, 2009
92 2009 Controlling the plasmonic properties of ultrathin TiN films at the atomic level D Shah, A Catellani, H Reddy, N Kinsey, V Shalaev, A Boltasseva, ...
Acs Photonics 5 (7), 2816-2824, 2018
91 2018 Plasmonic properties of refractory titanium nitride A Catellani, A Calzolari
Physical Review B 95 (11), 115145, 2017
88 2017 Ab initio molecular dynamics study of the keto–enol tautomerism of acetone in solution CS Cucinotta, A Ruini, A Catellani, A Stirling
ChemPhysChem 7 (6), 1229-1234, 2006
84 2006 Electronic interlayer states in hexagonal boron nitride A Catellani, M Posternak, A Baldereschi, HJF Jansen, AJ Freeman
Physical Review B 32 (10), 6997, 1985
83 1985 Water at a hydrophilic solid surface probed by ab initio molecular dynamics: inhomogeneous thin layers of dense fluid G Cicero, JC Grossman, A Catellani, G Galli
Journal of the American Chemical Society 127 (18), 6830-6835, 2005
81 2005 Direct determination of polarity, faceting, and core location in colloidal core/shell wurtzite semiconductor nanocrystals G Bertoni, V Grillo, R Brescia, X Ke, S Bals, A Catellani, H Li, L Manna
ACS nano 6 (7), 6453-6461, 2012
80 2012 Generalization of the k⋅ p approach for strained layered semiconductor structures grown on high-index-planes J Los, A Fasolino, A Catellani
Physical Review B 53 (8), 4630, 1996
80 1996 Hydroxyl-rich β-sheet adhesion to the gold surface in water by first-principle simulations A Calzolari, G Cicero, C Cavazzoni, R Di Felice, A Catellani, S Corni
Journal of the American Chemical Society 132 (13), 4790-4795, 2010
73 2010 Influence of stress and defects on the silicon-terminated SiC (001) surface structure A Catellani, G Galli, F Gygi, F Pellacini
Physical Review B 57 (19), 12255, 1998
73 1998 Interaction of water molecules with SiC (001) surfaces G Cicero, G Galli, A Catellani
The Journal of Physical Chemistry B 108 (42), 16518-16524, 2004
63 2004 