| 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 | 483 | 2020 |
| 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 | 420 | 2018 |
| 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 | 361 | 2016 |
| 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 | 357 | 2016 |
| 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 | 306 | 2017 |
| 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 | 272 | 2009 |
| 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 | 232 | 2012 |
| 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 | 188 | 2016 |
| 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 | 178 | 2015 |
| 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 | 125 | 2015 |
| CO oxidation on Pd (111): a first-principles-based kinetic Monte Carlo study S Piccinin, M Stamatakis Acs Catalysis 4 (7), 2143-2152, 2014 | 119 | 2014 |
| 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), 2010 | 114 | 2010 |
| 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 | 109 | 2019 |
| Photo-oxidation of water on defective hematite (0001) MT Nguyen, S Piccinin, N Seriani, R Gebauer ACS Catalysis 5 (2), 715-721, 2015 | 99 | 2015 |
| 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 | 96 | 2013 |
| 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), 2014 | 89 | 2014 |
| 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 | 85 | 2015 |
| 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 | 79 | 2018 |
| 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 | 79 | 2003 |
| Are multiple oxygen species selective in ethylene epoxidation on silver? EA Carbonio, TCR Rocha, AY Klyushin, I Píš, E Magnano, S Nappini, ... Chemical science 9 (4), 990-998, 2018 | 66 | 2018 |
