| 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 | 202 | 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 | 193 | 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 | 161 | 1990 |
| 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 | 140 | 2017 |
| 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 | 127 | 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 | 123 | 2004 |
| 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 | 116 | 2014 |
| 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 | 99 | 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 | 97 | 2018 |
| Plasmonic properties of refractory titanium nitride A Catellani, A Calzolari Physical Review B 95 (11), 115145, 2017 | 97 | 2017 |
| Reconstruction and thermal stability of the cubic SiC (001) surfaces A Catellani, G Galli, F Gygi Physical review letters 77 (25), 5090, 1996 | 95 | 1996 |
| Atomic and electronic structure of the nonpolar surface 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 |
| 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 | 91 | 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 | 86 | 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 | 84 | 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 | 83 | 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 | 83 | 1996 |
| 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 | 75 | 1998 |
| 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 |
| 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 | 67 | 2004 |
