Sfoglia per Autore
Key ingredients for the screening of single atom catalysts for the hydrogen evolution reaction: the case of titanium nitride
2026 Saetta, C; Barlocco, I; Di Liberto, G; Pacchioni, G
Predicting the HER activity of SACs on MXenes with simple features and interpretable machine learning models
2026 Chowdhury, C; Lovato, M; Di Liberto, G; Vines, F; Illas, F; Pacchioni, G; Giordano, L
Active Site Evolution under Working Conditions in Fe−Co Dual-Atom Electrocatalyst
2026 Inico, E; Spotti, M; Pacchioni, G; Di Liberto, G
Critical assessment of theoretical modelling of single-atom catalysts
2026 Bilgin, H; Bonardi, A; Spotti, M; 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
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
Single-Atom Catalysts on Goldene
2025 Picello, S; Inico, E; Saetta, C; Di Liberto, G; Pacchioni, G
TiN in Aqueous Environment: a Step Towards the Experimental Complexity
2025 Saetta, C; Di Liberto, G; Pacchioni, G
Single-Atom Catalyst on Goldene
2025 Saetta, C; Inico, E; Picello, S; Di Liberto, G; Pacchioni, G
Single-Atom Catalyst on Goldene
2025 Saetta, C; Inico, E; Picello, S; 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
Hydrogen complexes on single-atom alloys: A combined DFT – Kinetic Monte Carlo study
2025 Manzi, E; Stamatakis, M; Di Liberto, G; Pacchioni, G
Design of single atom coupled nitrogen doped graphene/molybdenum sulfide interface significantly improves water splitting property
2025 Chen, K; Yadav, S; Inico, E; Cao, Y; Di Liberto, G; Dao, V; Uthirakumar, P; Pacchioni, G; Lee, I
Tracking Charge Dynamics in a Silver Single-Atom Catalyst During the Light-Driven Oxidation of Benzyl Alcohol to Benzaldehyde
2025 Moutsiou, A; Olivati, A; Cipriano, L; Sivo, A; Collins, S; Ramasse, Q; Kwon, I; Di Liberto, G; Kanso, M; Wojcieszak, R; Pacchioni, G; Petrozza, A; Vile, G
Functionalization-Driven Formation of TiO2/Ti2CTxInterfaces
2025 Garcia-Romeral, N; Di Liberto, G; Morales-Garcia, A; Vines, F; Illas, F; Pacchioni, G
CO2 Activation on Single-Atom Catalysts: Importance of the Supporting Matrix
2025 Spotti, M; Di Liberto, G; Pacchioni, G
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
Role of Water in Modulating the Fe3+/Fe2+Redox Couple in Iron-Based Complexes and Single-Atom Catalysts
2025 Bonardi, A; Xu, 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
Predicting the activity of single atom catalysts
2024 Di Liberto, G; Pacchioni, G
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