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 | 28281 | 2009 |
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 | 1514 | 2005 |
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 | 532 | 2011 |
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 | 531 | 2016 |
A stabilization mechanism of zirconia based on oxygen vacancies only S Fabris, AT Paxton, MW Finnis Acta Materialia 50 (20), 5171-5178, 2002 | 499 | 2002 |
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—Condensed Matter and Materials Physics 71 (4), 041102, 2005 | 482 | 2005 |
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 | 456 | 2016 |
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 | 421 | 2005 |
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 | 419 | 2019 |
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 | 360 | 2009 |
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 | 333 | 2009 |
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 | 317 | 2008 |
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 | 279 | 2009 |
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 | 236 | 2008 |
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—Condensed Matter and Materials Physics 72 (23), 237102, 2005 | 213 | 2005 |
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 | 166 | 2005 |
Mechanisms for oxidative unzipping and cutting of graphene T Sun, S Fabris Nano letters 12 (1), 17-21, 2012 | 164 | 2012 |
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—Condensed Matter and Materials Physics 75 (8), 081404, 2007 | 162 | 2007 |
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 | 133 | 2007 |
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 | 120 | 2011 |