PICCININ, SIMONE
PICCININ, SIMONE
Istituto Officina dei Materiali - IOM -
A Unified Picture of Water Oxidation on Bare and Gallium Oxide-Covered Hematite from Density Functional Theory
2017 Ulman K.; Nguyen M.T.; Seriani N.; Piccinin S.; Gebauer R.
Ab Initio Thermodynamics of Surface Oxide Structures under Controlled Growth Conditions
2017 Lee, T; Lee, Y; Piccinin, S; Soon, A
Adjusting the Chemical Reactivity of Oxygen for Propylene Epoxidation on Silver by Rational Design: The Use of an Oxyanion and Cl
2023 Carbonio, E. A.; Sulzmann, F.; Klyushin, A. Y.; Havecker, M.; Piccinin, S.; Knop-Gericke, A.; Schlogl, R.; Jones, T. E.
Adsorbate induced vacancy formation on silver surfaces
2014 Jones, Travis E.; Rocha, Tulio C. R.; KnopGericke, Axel; Stampfl, Catherine; Schloegl, Robert; Piccinin, Simone
Adsorption of alkali adatoms on graphene supported by the Au/Ni(111) surface
2015 Praveen C.S.; Piccinin S.; Fabris S.
Ag-Cu alloy surfaces in an oxidizing environment: a first-principles study
2009 Piccinin, Simone; Stampfl, Catherine; Scheffler, Matthias
Ag-Cu catalysts for ethylene epoxidation: Selectivity and activity descriptors
2013 Ngoc Linh, Nguyen; DE GIRONCOLI, STEFANO MARIA; Piccinin, Simone
Alloy Catalyst in a Reactive Environment: The Example of Ag-Cu Particles for Ethylene Epoxidation
2010 Piccinin, Simone; Zafeiratos, Spiros; Stampfl, Catherine; Hansen Thomas, W; Haevecker, Michael; Teschner, Detre; Bukhtiyarov Valerii, I; Girgsdies, Frank; Knopgericke, Axel; Schloegl, Robert; Scheffler, Matthias
Alloys in catalysis: phase separation and surface segregation phenomena in response to the reactive environment
2012 Zafeiratos, S; Piccinin, S; Teschner, D
Anisotropic Eliashberg function and electron-phonon coupling in doped graphene
2013 Haberer, D.; Petaccia, L.; Fedorov, A. V.; Praveen, C. S.; Fabris, S.; Piccinin, S.; Vilkov, O.; Vyalikh, D. V.; Preobrajenski, A.; Verbitskiy, N. I.; Shiozawa, H.; Fink, J.; Knupfer, M.; Buechner, B.; Grueneis, A.
Are multiple oxygen species selective in ethylene epoxidation on silver?
2018 Carbonio E.A.; Rocha T.C.R.; Klyushin A.Y.; Pis I.; Magnano E.; Nappini S.; Piccinin S.; KnopGericke A.; Schlogl R.; Jones T.E.
Atomistic picture of electronic metal support interaction and the role of water
2024 Fusek, L.; Farnesi Camellone, M.; Ronovsky, M.; Kastenmeier, M.; Skala, T.; Kumar Samal, P.; Tsud, N.; Mehl, S.; Skvara, J.; Dolak, T.; Uvarov, V.; Setvin, M.; Johanek, V.; Fabris, S.; Brummel, O.; Libuda, J.; Myslivecek, J.; Piccinin, S.; Lykhach, Y.
Atomistic structure of Cobalt-Phosphate nanoparticles for catalytic water oxidation
2012 X. L. Hu; S. Piccinin; A. Laio;S. Fabris
Bridging the temperature and pressure gaps: Close-packed transition metal surfaces in an oxygen environment
2008 Stampfl, Catherine; Soon, Aloysius; Piccinin, Simone; Shi, Hongqing; Zhang, Hong
CHx adsorption (x=1-4) and thermodynamic stability on the CeO2(111) surface: a first-principles investigation
2014 Fronzi, Marco; Piccinin, Simone; Delley, Bernard; Traversa, Enrico; Stampfl, Catherine
CO Oxidation on Pd(111): A First-Principles-Based Kinetic Monte Carlo Study
2014 Piccinin, Simone; Stamatakis, Michail
CO Oxidation over Platinum Nanoclusters: Unraveling the Role of the Cluster Size and the Supporting Surface
2023 Taleblou, M.; Camellone, M. F.; Fabris, S.; Piccinin, S.
Controlled thermodynamics for tunable electron doping of graphene on Ir(111)
2016 Struzzi, C.; Praveen, C. S.; Scardamaglia, M.; Verbitskiy, N. I.; Fedorov, A. V.; Weinl, M.; Schreck, M.; Grueneis, A.; Piccinin, S.; Fabris, S.; Petaccia, L.
CuFeO2–Water Interface under Illumination: Structural, Electronic, and Catalytic Implications for the Hydrogen Evolution Reaction
2021 Ferri, Matteo; Elliott, Joshua David; Camellone, Matteo Farnesi; Fabris, Stefano; Piccinin, Simone
Direct and indirect role of Fe doping in NiOOH monolayer for water oxidation catalysis**
2022 Kumar, Manish; Piccinin, Simone; Srinivasan, Varadharajan
Titolo | Data di pubblicazione | Autore(i) | File |
---|---|---|---|
A Unified Picture of Water Oxidation on Bare and Gallium Oxide-Covered Hematite from Density Functional Theory | 1-gen-2017 | Ulman K.; Nguyen M.T.; Seriani N.; Piccinin S.; Gebauer R. | |
Ab Initio Thermodynamics of Surface Oxide Structures under Controlled Growth Conditions | 1-gen-2017 | Lee, T; Lee, Y; Piccinin, S; Soon, A | |
Adjusting the Chemical Reactivity of Oxygen for Propylene Epoxidation on Silver by Rational Design: The Use of an Oxyanion and Cl | 1-gen-2023 | Carbonio, E. A.; Sulzmann, F.; Klyushin, A. Y.; Havecker, M.; Piccinin, S.; Knop-Gericke, A.; Schlogl, R.; Jones, T. E. | |
Adsorbate induced vacancy formation on silver surfaces | 1-gen-2014 | Jones, Travis E.; Rocha, Tulio C. R.; KnopGericke, Axel; Stampfl, Catherine; Schloegl, Robert; Piccinin, Simone | |
Adsorption of alkali adatoms on graphene supported by the Au/Ni(111) surface | 1-gen-2015 | Praveen C.S.; Piccinin S.; Fabris S. | |
Ag-Cu alloy surfaces in an oxidizing environment: a first-principles study | 1-gen-2009 | Piccinin, Simone; Stampfl, Catherine; Scheffler, Matthias | |
Ag-Cu catalysts for ethylene epoxidation: Selectivity and activity descriptors | 1-gen-2013 | Ngoc Linh, Nguyen; DE GIRONCOLI, STEFANO MARIA; Piccinin, Simone | |
Alloy Catalyst in a Reactive Environment: The Example of Ag-Cu Particles for Ethylene Epoxidation | 1-gen-2010 | Piccinin, Simone; Zafeiratos, Spiros; Stampfl, Catherine; Hansen Thomas, W; Haevecker, Michael; Teschner, Detre; Bukhtiyarov Valerii, I; Girgsdies, Frank; Knopgericke, Axel; Schloegl, Robert; Scheffler, Matthias | |
Alloys in catalysis: phase separation and surface segregation phenomena in response to the reactive environment | 1-gen-2012 | Zafeiratos, S; Piccinin, S; Teschner, D | |
Anisotropic Eliashberg function and electron-phonon coupling in doped graphene | 1-gen-2013 | Haberer, D.; Petaccia, L.; Fedorov, A. V.; Praveen, C. S.; Fabris, S.; Piccinin, S.; Vilkov, O.; Vyalikh, D. V.; Preobrajenski, A.; Verbitskiy, N. I.; Shiozawa, H.; Fink, J.; Knupfer, M.; Buechner, B.; Grueneis, A. | |
Are multiple oxygen species selective in ethylene epoxidation on silver? | 1-gen-2018 | Carbonio E.A.; Rocha T.C.R.; Klyushin A.Y.; Pis I.; Magnano E.; Nappini S.; Piccinin S.; KnopGericke A.; Schlogl R.; Jones T.E. | |
Atomistic picture of electronic metal support interaction and the role of water | 1-gen-2024 | Fusek, L.; Farnesi Camellone, M.; Ronovsky, M.; Kastenmeier, M.; Skala, T.; Kumar Samal, P.; Tsud, N.; Mehl, S.; Skvara, J.; Dolak, T.; Uvarov, V.; Setvin, M.; Johanek, V.; Fabris, S.; Brummel, O.; Libuda, J.; Myslivecek, J.; Piccinin, S.; Lykhach, Y. | |
Atomistic structure of Cobalt-Phosphate nanoparticles for catalytic water oxidation | 1-gen-2012 | X. L. Hu; S. Piccinin; A. Laio;S. Fabris | |
Bridging the temperature and pressure gaps: Close-packed transition metal surfaces in an oxygen environment | 1-gen-2008 | Stampfl, Catherine; Soon, Aloysius; Piccinin, Simone; Shi, Hongqing; Zhang, Hong | |
CHx adsorption (x=1-4) and thermodynamic stability on the CeO2(111) surface: a first-principles investigation | 1-gen-2014 | Fronzi, Marco; Piccinin, Simone; Delley, Bernard; Traversa, Enrico; Stampfl, Catherine | |
CO Oxidation on Pd(111): A First-Principles-Based Kinetic Monte Carlo Study | 1-gen-2014 | Piccinin, Simone; Stamatakis, Michail | |
CO Oxidation over Platinum Nanoclusters: Unraveling the Role of the Cluster Size and the Supporting Surface | 1-gen-2023 | Taleblou, M.; Camellone, M. F.; Fabris, S.; Piccinin, S. | |
Controlled thermodynamics for tunable electron doping of graphene on Ir(111) | 1-gen-2016 | Struzzi, C.; Praveen, C. S.; Scardamaglia, M.; Verbitskiy, N. I.; Fedorov, A. V.; Weinl, M.; Schreck, M.; Grueneis, A.; Piccinin, S.; Fabris, S.; Petaccia, L. | |
CuFeO2–Water Interface under Illumination: Structural, Electronic, and Catalytic Implications for the Hydrogen Evolution Reaction | 1-gen-2021 | Ferri, Matteo; Elliott, Joshua David; Camellone, Matteo Farnesi; Fabris, Stefano; Piccinin, Simone | |
Direct and indirect role of Fe doping in NiOOH monolayer for water oxidation catalysis** | 1-gen-2022 | Kumar, Manish; Piccinin, Simone; Srinivasan, Varadharajan |