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Simone Piccinin
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The electronic structure of iridium oxide electrodes active in water splitting
V Pfeifer, TE Jones, JJV Vélez, C Massué, MT Greiner, R Arrigo, ...
Physical Chemistry Chemical Physics 18 (4), 2292-2296, 2016
2702016
The electronic structure of iridium and its oxides
V Pfeifer, TE Jones, JJ Velasco Vélez, C Massué, R Arrigo, D Teschner, ...
Surface and Interface Analysis 48 (5), 261-273, 2016
2342016
Water adsorption on the stoichiometric and reduced CeO 2 (111) surface: A first-principles investigation
M Fronzi, S Piccinin, B Delley, E Traversa, C Stampfl
Physical Chemistry Chemical Physics 11 (40), 9188-9199, 2009
2342009
Free-atom-like d states in single-atom alloy catalysts
MT Greiner, TE Jones, S Beeg, L Zwiener, M Scherzer, F Girgsdies, ...
Nature chemistry 10 (10), 1008-1015, 2018
2242018
In situ observation of reactive oxygen species forming on oxygen-evolving iridium surfaces
V Pfeifer, TE Jones, JJV Vélez, R Arrigo, S Piccinin, M Hävecker, ...
Chemical science 8 (3), 2143-2149, 2017
2092017
Alloys in catalysis: phase separation and surface segregation phenomena in response to the reactive environment
S Zafeiratos, S Piccinin, D Teschner
Catalysis Science & Technology 2 (9), 1787-1801, 2012
1922012
Key role of chemistry versus bias in electrocatalytic oxygen evolution
HN Nong, LJ Falling, A Bergmann, M Klingenhof, HP Tran, C Spöri, ...
Nature 587 (7834), 408-413, 2020
1772020
Reactive oxygen species in iridium-based OER catalysts
V Pfeifer, TE Jones, S Wrabetz, C Massué, JJV Vélez, R Arrigo, ...
Chemical science 7 (11), 6791-6795, 2016
1302016
Mechanistic Insights into CO2 Activation via Reverse Water–Gas Shift on Metal Surfaces
L Dietz, S Piccinin, M Maestri
The Journal of Physical Chemistry C 119 (9), 4959-4966, 2015
1182015
Alloy catalyst in a reactive environment: The example of Ag-Cu particles for ethylene epoxidation
S Piccinin, S Zafeiratos, C Stampfl, TW Hansen, M Hävecker, D Teschner, ...
Physical review letters 104 (3), 035503, 2010
1062010
CO oxidation on Pd (111): a first-principles-based kinetic Monte Carlo study
S Piccinin, M Stamatakis
Acs Catalysis 4 (7), 2143-2152, 2014
932014
Thermodynamic and spectroscopic properties of oxygen on silver under an oxygen atmosphere
TE Jones, TCR Rocha, A Knop-Gericke, C Stampfl, R Schlögl, S Piccinin
Physical Chemistry Chemical Physics 17 (14), 9288-9312, 2015
852015
Photo-oxidation of water on defective hematite (0001)
MT Nguyen, S Piccinin, N Seriani, R Gebauer
ACS Catalysis 5 (2), 715-721, 2015
832015
Photo-driven oxidation of water on α-Fe2O3 surfaces: An ab initio study
MT Nguyen, N Seriani, S Piccinin, R Gebauer
The Journal of chemical physics 140 (6), 064703, 2014
822014
Water oxidation surface mechanisms replicated by a totally inorganic tetraruthenium–oxo molecular complex
S Piccinin, A Sartorel, G Aquilanti, A Goldoni, M Bonchio, S Fabris
Proceedings of the National Academy of Sciences 110 (13), 4917-4922, 2013
802013
Electronic properties of metal–molecule–metal systems at zero bias: A periodic density functional study
S Piccinin, A Selloni, S Scandolo, R Car, G Scoles
The Journal of chemical physics 119 (13), 6729-6735, 2003
772003
Insights into the electronic structure of the oxygen species active in alkene epoxidation on silver
TE Jones, TCR Rocha, A Knop-Gericke, C Stampfl, R Schlögl, S Piccinin
Acs Catalysis 5 (10), 5846-5850, 2015
662015
Atomistic structure of cobalt-phosphate nanoparticles for catalytic water oxidation
XL Hu, S Piccinin, A Laio, S Fabris
ACS nano 6 (12), 10497-10504, 2012
582012
The band structure and optical absorption of hematite (α-Fe 2 O 3): a first-principles GW-BSE study
S Piccinin
Physical Chemistry Chemical Physics 21 (6), 2957-2967, 2019
562019
The selective species in ethylene epoxidation on silver
TE Jones, R Wyrwich, S Böcklein, EA Carbonio, MT Greiner, ...
Acs Catalysis 8 (5), 3844-3852, 2018
522018
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