PACCHIONI, GIANFRANCO
PACCHIONI, GIANFRANCO
DIPARTIMENTO DI SCIENZA DEI MATERIALI
Hydrogen complexes on single-atom alloys: A combined DFT – Kinetic Monte Carlo study
2025 Manzi, E; Stamatakis, M; Di Liberto, G; Pacchioni, G
CO2 electroreduction on single atom catalysts: Role of the local coordination
2024 Emken, S; Di Liberto, G; Pacchioni, G
CO2 electroreduction on single atom catalysts: the role of the DFT functional
2024 Misra, D; Di Liberto, G; Pacchioni, G
Copper Single Atoms Chelated on Ligand-Modified Carbon for Ullmann-type C−O Coupling
2024 Ruta, V; Di Liberto, G; Moriggi, F; Ivanov, Y; Divitini, G; Bussetti, G; Barbera, V; Bajada, M; Galimberti, M; Pacchioni, G; Vilé, G
Decoding the Role of Adsorbates Entropy in the Reactivity of Single-Atom Catalysts
2024 Di Simone, E; Vile, G; Di Liberto, G; Pacchioni, G
Electrochemical Nitrogen Reduction Reaction from Ab Initio Thermodynamics: Single versus Dual Atom Catalysts
2024 Barlocco, I; Spotti, M; Di Liberto, G; Pacchioni, G
From CO2 to Methanol on Cu/ZnO/Al2O3 Industrial Catalyst. What Do We Know about the Active Phase and the Reaction Mechanism?
2024 Pacchioni, G
Key Ingredients for the Screening of Single Atom Catalysts for the Hydrogen Evolution Reaction: The Case of Titanium Nitride
2024 Saetta, C; Barlocco, I; Di Liberto, G; Pacchioni, G
Key ingredients for the screening of single atom catalysts for the hydrogen evolution reaction: the case of titanium nitride
2024 Saetta, C; Barlocco, I; DI LIBERTO, G; Pacchioni, G
Key ingredients for the screening of single atom catalysts for the hydrogen evolution reaction: the case of titanium nitride
2024 Saetta, C; Barlocco, I; DI LIBERTO, G; Pacchioni, G
Modeling Single Atom Catalysts
2024 Saetta, C; Barlocco, I; Di Liberto, G; Pacchioni, G
N-Heterocyclic Olefins on a Metallic Surface – Adsorption, Orientation, and Electronic Influence
2024 Landwehr, F; Das, M; Tosoni, S; Navarro, J; Das, A; Koy, M; Heyde, M; Pacchioni, G; Glorius, F; Cuenya, B
New scaling relationships for the oxygen evolution reaction on single atom catalysts
2024 Barlocco, I; Di Liberto, G; Pacchioni, G
Predicting the activity of single atom catalysts
2024 Di Liberto, G; Pacchioni, G
Predicting the Stability of Single-Atom Catalysts in Electrochemical Reactions
2024 Di Liberto, G; Giordano, L; Pacchioni, G
Probing the Surface of Oxide Nanoparticles Using DNP-Enhanced High-Resolution NMR of Quadrupolar Nuclei
2024 Nagashima, H; Maleki, F; Trébosc, J; Belgamwar, R; Polshettiwar, V; Kahn, M; Kon, Y; Pacchioni, G; Lafon, O; Amoureux, J
Pt Single Atoms Supported on Defect Ceria as an Active and Stable Dual-Site Catalyst for Alkaline Hydrogen Evolution
2024 Dao, V; Di Liberto, G; Yadav, S; Uthirakumar, P; Chen, K; Pacchioni, G; Lee, I
Stable distorted T phase of MSi2 N4 (M= Ru and Os) monolayers: First-principles insights into structural, vibrational, mechanical, electronic, and optical properties
2024 Varjovi, M; Durgun, E; Pacchioni, G; Tosoni, S
2D/2D Z-scheme-based α-Fe2O3 @NGr heterojunction implanted with Pt single-atoms for remarkable photocatalytic hydrogen evolution
2023 Dao, V; Cipriano, L; Ki, S; Yadav, S; Wang, W; Di Liberto, G; Chen, K; Son, H; Yang, J; Pacchioni, G; Lee, I
CO2 Activation on Cu/TiO2 Nanostructures: Importance of Dual Binding Site
2023 Barlocco, I; Maleki, F; Pacchioni, G