Calzolari Arrigo
Calzolari Arrigo
CNR-NANO S3 Center
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Ab initio transport properties of nanostructures from maximally localized Wannier functions
A Calzolari, N Marzari, I Souza, MB Nardelli
Physical Review B 69 (3), 035108, 2004
Spontaneous polarization and piezoelectricity in boron nitride nanotubes
SM Nakhmanson, A Calzolari, V Meunier, J Bernholc, MB Nardelli
Physical Review B 67 (23), 235406, 2003
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
Electronic structure of single DNA molecules resolved by transverse scanning tunnelling spectroscopy
E Shapir, H Cohen, A Calzolari, C Cavazzoni, DA Ryndyk, G Cuniberti, ...
Nature Materials 7 (1), 68-74, 2008
Mixing of electronic states in pentacene adsorption on copper
A Ferretti, C Baldacchini, A Calzolari, R Di Felice, A Ruini, E Molinari, ...
Physical review letters 99 (4), 046802, 2007
Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach
A Calzolari, MB Nardelli
Scientific reports 3 (1), 2999, 2013
Thermoelectric properties of graphene nanoribbons, junctions and superlattices
Y Chen, T Jayasekera, A Calzolari, KW Kim, MB Nardelli
Journal of Physics: Condensed Matter 22 (37), 372202, 2010
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
Ab initio study of model guanine assemblies: The role of π− π coupling and band transport
R Di Felice, A Calzolari, E Molinari, A Garbesi
Physical Review B 65 (4), 045104, 2001
Highly conductive self-assembled nanoribbons of coordination polymers
L Welte, A Calzolari, R Di Felice, F Zamora, J Gˇmez-Herrero
Nature nanotechnology 5 (2), 110-115, 2010
Modification of molecular spin crossover in ultrathin films
A Pronschinske, Y Chen, GF Lewis, DA Shultz, A Calzolari, ...
Nano letters 13 (4), 1429-1434, 2013
G-quartet biomolecular nanowires
A Calzolari, R Di Felice, E Molinari, A Garbesi
Applied physics letters 80 (18), 3331-3333, 2002
First-principles theory of correlated transport through nanojunctions
A Ferretti, A Calzolari, R Di Felice, F Manghi, MJ Caldas, MB Nardelli, ...
Physical review letters 94 (11), 116802, 2005
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
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
How to identify plasmons from the optical response of nanostructures
R Zhang, L Bursi, JD Cox, Y Cui, CM Krauter, A Alabastri, A Manjavacas, ...
ACS nano 11 (7), 7321-7335, 2017
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
AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians
AR Supka, TE Lyons, L Liyanage, P D’Amico, RAR Al Orabi, S Mahatara, ...
Computational Materials Science 136, 76-84, 2017
Effective and accurate representation of extended Bloch states on finite Hilbert spaces
LA Agapito, A Ferretti, A Calzolari, S Curtarolo, M Buongiorno Nardelli
Physical Review B—Condensed Matter and Materials Physics 88 (16), 165127, 2013
Spin and orbital configuration of metal phthalocyanine chains assembled on the Au (110) surface
P Gargiani, G Rossi, R Biagi, V Corradini, M Pedio, S Fortuna, A Calzolari, ...
Physical Review B—Condensed Matter and Materials Physics 87 (16), 165407, 2013
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