Browsing by Author Piccinin, Simone

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Showing results 1 to 9 of 9
Issue DateTitleAuthor(s)Citation
2009Ag–Cu alloy surfaces in an oxidizing environment: A first-principles studyPiccinin, Simone; Stampfl, Catherine; Scheffler, Matthias; Physics; PhysicsAg–Cu alloy surfaces in an oxidizing environment: A first-principles study, Surface Science, vol.603,(10-12),2009,pp 1467-1475
2010Alloy Catalyst in a Reactive Environment: The Example of Ag-Cu Particles for Ethylene EpoxidationPiccinin, Simone; Stampfl, Catherine; Bukhtiyarov, Valerii; Girgsdies, Frank; Hansen, Thomas; Havecker, Michael; Knop-Gericke, Axel; Scheffler, Matthias; Schlogl, Robert; Teschner, Detre; Zafeiratos, Spiros; Physics; PhysicsAlloy Catalyst in a Reactive Environment: The Example of Ag-Cu Particles for Ethylene Epoxidation, Physical Review Letters, vol.104, 3, 2010,pp 035503-1-035503-4
2008Bridging the temperature and pressure gaps: close-packed transition metal surfaces in an oxygen environmentPiccinin, Simone; Shi, Hongqing; Soon, Aloysius; Stampfl, Catherine; Zhang, Hong; Physics; Physics; Physics; Physics; PhysicsBridging the temperature and pressure gaps: close-packed transition metal surfaces in an oxygen environment, Journal of Physics: Condensed Matter, vol.20, 18, 2008,pp 184021-1-184021-19
2008First-principles investigation of Ag-Cu alloy surfaces in an oxidizing environmentPiccinin, Simone; Stampfl, Catherine; Scheffler, Matthias; Physics; PhysicsFirst-principles investigation of Ag-Cu alloy surfaces in an oxidizing environment, Physical Review B (Condensed Matter and Materials Physics), vol.77, 7, 2008,pp 075426-1-075426-9
2010First-principles study of the mechanism of ethylene epoxidation over Ag-Cu particlesPiccinin, Simone; Stampfl, Catherine; Nguyen, Ngoc Linh; Scheffler, Matthias; Physics; PhysicsFirst-principles study of the mechanism of ethylene epoxidation over Ag-Cu particles, Journal of Materials Chemistry, vol.DOI: 10.1039/c0jm01916j, N/A, 2010,pp 1-7
2015Insights into the Electronic Structure of the Oxygen Species Active in Alkene Epoxidation on SilverStampfl, Catherine; Jones, Travis; Knop-Gericke, Axel; Piccinin, Simone; Rocha, Tulio; Schlögl, Robert; PhysicsInsights into the Electronic Structure of the Oxygen Species Active in Alkene Epoxidation on Silver, ACS Catalysis, vol.5, 10, 2015,pp 5846-5850
2010Predicting order-disorder phase transitions of O/Pd(111) from ab initio Wang-Landau Monte Carlo calculationsPiccinin, Simone; Stampfl, Catherine; Physics; PhysicsPredicting order-disorder phase transitions of O/Pd(111) from ab initio Wang-Landau Monte Carlo calculations, Physical Review B (Condensed Matter and Materials Physics), vol.81, 15,pp 155427-1-155427-8
2015Thermodynamic and spectroscopic properties of oxygen on silver under an oxygen atmosphereStampfl, Catherine; Jones, Travis; Knop-Gericke, Axel; Piccinin, Simone; Rocha, Tulio; Schlogl, Robert; PhysicsThermodynamic and spectroscopic properties of oxygen on silver under an oxygen atmosphere, Physical Chemistry Chemical Physics, vol.17, 14, 2015,pp 9288-9312
2009Water adsorption on the stoichiometric and reduced CeO2(111) surface: a first-principles investigationFronzi, Marco; Piccinin, Simone; Stampfl, Catherine; Delley, Bernard; Traversa, Enrico; Physics; Physics; PhysicsWater adsorption on the stoichiometric and reduced CeO2(111) surface: a first-principles investigation, Physical Chemistry Chemical Physics, vol.11, 40,pp 9188-9199