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Stefano Fabris
Stefano Fabris
National Research Council, Istituto Officina dei Materiali
Verified email at iom.cnr.it - Homepage
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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ...
Journal of physics: Condensed matter 21 (39), 395502, 2009
273962009
Electron localization determines defect formation on ceria substrates
F Esch, S Fabris, L Zhou, T Montini, C Africh, P Fornasiero, G Comelli, ...
Science 309 (5735), 752-755, 2005
14482005
Dual path mechanism in the thermal reduction of graphene oxide
R Larciprete, S Fabris, T Sun, P Lacovig, A Baraldi, S Lizzit
Journal of the American Chemical Society 133 (43), 17315-17321, 2011
5212011
Counting electrons on supported nanoparticles
Y Lykhach, SM Kozlov, T Skála, A Tovt, V Stetsovych, N Tsud, F Dvořák, ...
Nature materials 15 (3), 284-288, 2016
5072016
A stabilization mechanism of zirconia based on oxygen vacancies only
S Fabris, AT Paxton, MW Finnis
Acta Materialia 50 (20), 5171-5178, 2002
4842002
Taming multiple valency with density functionals: A case study of defective ceria
S Fabris, S de Gironcoli, S Baroni, G Vicario, G Balducci
Physical Review B 71 (4), 041102, 2005
4792005
Creating single-atom Pt-ceria catalysts by surface step decoration
F Dvořák, M Farnesi Camellone, A Tovt, ND Tran, FR Negreiros, ...
Nature communications 7 (1), 10801, 2016
4292016
Electronic and atomistic structures of clean and reduced ceria surfaces
S Fabris, G Vicario, G Balducci, S de Gironcoli, S Baroni
The Journal of Physical Chemistry B 109 (48), 22860-22867, 2005
4182005
Structure of the catalytically active copper–ceria interfacial perimeter
A Chen, X Yu, Y Zhou, S Miao, Y Li, S Kuld, J Sehested, J Liu, T Aoki, ...
Nature Catalysis 2 (4), 334-341, 2019
3812019
Reaction Mechanisms for the CO Oxidation on Au/CeO2 Catalysts: Activity of Substitutional Au3+/Au+ Cations and Deactivation of Supported Au+ Adatoms
MF Camellone, S Fabris
Journal of the American Chemical Society 131 (30), 10473-10483, 2009
3562009
Nanofaceted Pd O Sites in Pd Ce Surface Superstructures: Enhanced Activity in Catalytic Combustion of Methane
S Colussi, A Gayen, M Farnesi Camellone, M Boaro, J Llorca, S Fabris, ...
Angewandte Chemie International Edition 48 (45), 8481-8484, 2009
3172009
CO adsorption and oxidation on ceria surfaces from DFT+ U calculations
M Huang, S Fabris
The Journal of Physical Chemistry C 112 (23), 8643-8648, 2008
3132008
Initial stages of oxidation on graphitic surfaces: photoemission study and density functional theory calculations
A Barinov, OB Malcioglu, S Fabris, T Sun, L Gregoratti, M Dalmiglio, ...
The Journal of Physical Chemistry C 113 (21), 9009-9013, 2009
2732009
Electronic structure of surface-supported bis (phthalocyaninato) terbium (III) single molecular magnets
L Vitali, S Fabris, AM Conte, S Brink, M Ruben, S Baroni, K Kern
Nano letters 8 (10), 3364-3368, 2008
2342008
Reply to “Comment on ‘Taming multiple valency with density functionals: A case study of defective ceria'”
S Fabris, S de Gironcoli, S Baroni, G Vicario, G Balducci
Physical Review B 72 (23), 237102, 2005
2142005
Templated growth of metal-organic coordination chains at surfaces
T Classen, G Fratesi, G Costantini, S Fabris, FL Stadler, C Kim, ...
ANGEWANDTE CHEMIE. INTERNATIONAL EDITION 44 (38), 6142-6145, 2005
1652005
Mechanisms for oxidative unzipping and cutting of graphene
T Sun, S Fabris
Nano letters 12 (1), 17-21, 2012
1632012
Role of surface peroxo and superoxo species in the low-temperature oxygen buffering of ceria: Density functional theory calculations
M Huang, S Fabris
Physical Review B 75 (8), 081404, 2007
1402007
Hydrogen and coordination bonding supramolecular structures of trimesic acid on Cu (110)
T Classen, M Lingenfelder, Y Wang, R Chopra, C Virojanadara, U Starke, ...
The Journal of Physical Chemistry A 111 (49), 12589-12603, 2007
1342007
Surface precursors and reaction mechanisms for the thermal reduction of graphene basal surfaces oxidized by atomic oxygen
T Sun, S Fabris, S Baroni
The Journal of Physical Chemistry C 115 (11), 4730-4737, 2011
1232011
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