Stefano Fabris

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Matteo Farnesi CamelloneNational Research Council (CNR), IOM-TriesteEmail confirmado em iom.cnr.it
Stefano Baroniprofessor of theoretical condensed-matter physics, SISSA, TriesteEmail confirmado em sissa.it
Simone PiccininCNR-IOM, TriesteEmail confirmado em iom.cnr.it
Klaus KernMax-Planck-Institute for Solid State Research and Ecole Polytechnique Fédérale de LausanneEmail confirmado em fkf.mpg.de
Stefano de GironcoliInternational School for Advanced Studies (SISSA), TriesteEmail confirmado em sissa.it
Guido FratesiPhysics Department, Milano University, ItalyEmail confirmado em unimi.it
Tony PaxtonImperial College LondonEmail confirmado em KCL.ac.uk
giovanni comelliUniversity of TriesteEmail confirmado em elettra.eu
Paolo FornasieroUniversity of TriesteEmail confirmado em units.it
Renzo RoseiUniversità degli Studi di TriesteEmail confirmado em elettra.trieste.it
Maria Grazia BettiDipartimento di Fisica Università La Sapienza Roma (Italy)Email confirmado em roma1.infn.it
Calzolari ArrigoCNR-NANO S3 CenterEmail confirmado em nano.cnr.it
Alessandro TrovarelliIndustrial chemistry, Università di Udine, catalysisEmail confirmado em uniud.it
Carlo MarianiDepartment of Physics, Sapienza University, RomaEmail confirmado em uniroma1.it
Alessandro LaioSISSAEmail confirmado em sissa.it
jv barthProfessor of Physics & Chemistry, Technische Universität MünchenEmail confirmado em tum.de
Stéphane PonsCNRS - ESPCI - PSL Research University - Sorbonne UniversityEmail confirmado em espci.fr
Alexandre DmitrievProfessor of Physics, University of GothenburgEmail confirmado em physics.gu.se
Federica BondinoConsiglio Nazionale delle Ricerche (CNR)Email confirmado em iom.cnr.it
Riccardo FerrandoDepartment of Physics, University of Genoa, Via Dodecaneso 33, 16146Email confirmado em fisica.unige.it

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Stefano Fabris

National Research Council, Istituto Officina dei Materiali

Email confirmado em iom.cnr.it - Página inicial

Computational materials science


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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	29829	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	1560	2005
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	563	2016
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	545	2011
A stabilization mechanism of zirconia based on oxygen vacancies only S Fabris, AT Paxton, MW Finnis Acta Materialia 50 (20), 5171-5178, 2002	518	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	489	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	474	2016
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	460	2019
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	432	2005
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	363	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	340	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	328	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	284	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	218	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	168	2005
Mechanisms for oxidative unzipping and cutting of graphene T Sun, S Fabris Nano letters 12 (1), 17-21, 2012	166	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	165	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	134	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

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