Sfoglia per Autore
Combining Ab-initio Thermodynamics And Kinetics Toward The Oxygen Evolution And Reduction Mechanism On A Dual Atom Catalyst
2025 Inico, E; Di Liberto, G; Pacchioni, G
Resolving the Nanostructure of Carbon Nitride-Supported Single-Atom Catalysts
2025 Allasia, N; Xu, S; Jafri, S; Borfecchia, E; Cipriano, L; Terraneo, G; Tosoni, S; Mino, L; Di Liberto, G; Pacchioni, G; Vile, G
TiN in Aqueous Environment: a Step Towards the Experimental Complexity
2025 Saetta, C; Di Liberto, G; Pacchioni, G
Single-Atom Catalysts on Goldene
2025 Picello, S; Inico, E; Saetta, C; Di Liberto, G; Pacchioni, G
An Adaptive Palladium Single-Atom Catalyst Enabling Reactivity Switching between Borylation and C-C Coupling
2025 Saptal, V; Saetta, C; Laufenböck, A; Sterrer, M; Kwon, I; Lucotti, A; Tommasini, M; Tomanec, O; Bakandritsos, A; Di Liberto, G; Pacchioni, G; Vilé, G
Single-Atom Catalyst on Goldene
2025 Saetta, C; Inico, E; Picello, S; Di Liberto, G; Pacchioni, G
Hydrogen complexes on single-atom alloys: A combined DFT – Kinetic Monte Carlo study
2025 Manzi, E; Stamatakis, M; Di Liberto, G; Pacchioni, G
Scaling relations and catalytic descriptor for the nitrogen reduction on single-atom catalysts
2025 Spotti, M; Maineri, K; Viñes, F; Illas, F; Di Liberto, G; Pacchioni, G
CO2 Activation on Single-Atom Catalysts: Importance of the Supporting Matrix
2025 Spotti, M; Di Liberto, G; Pacchioni, G
Single-Atom Catalyst on Goldene
2025 Saetta, C; Inico, E; Picello, S; 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
New scaling relationships for the oxygen evolution reaction on single atom catalysts
2024 Barlocco, I; 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
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
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
Predicting the Stability of Single-Atom Catalysts in Electrochemical Reactions
2024 Di Liberto, G; Giordano, L; Pacchioni, G
Predicting the activity of single atom catalysts
2024 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
Decoding the Role of Adsorbates Entropy in the Reactivity of Single-Atom Catalysts
2024 Di Simone, E; Vile, G; Di Liberto, G; Pacchioni, G
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