Sfoglia per Autore
Electrodeposited NiFe-succinate for the oxygen evolution reaction in anion exchange membrane water electrolysis
2026 Zaffora, A; Volanti, V; Iannucci, L; Grassini, S; Valov, I; Saetta, C; Di Liberto, G; Mosca, E; Gatto, I; Baglio, V; Santamaria, M
Nature and pH-dependent surface chemistry of TiN in aqueous environment from ab-initio and machine learning accelerated simulations
2026 Saetta, C; Bonardi, A; Todisco, R; Barlocco, I; Villa, A; Morittu, A; Piccini, G; Liberto, G
Critical assessment of theoretical modelling of single-atom catalysts
2026 Bilgin, H; Bonardi, A; Spotti, M; Di Liberto, G; Pacchioni, G
Thermodynamic stability of single-atom catalysts in electrochemical conditions from first principles: Role of the local coordination
2026 Spotti, M; Saetta, C; Eshete, M; Di Liberto, G
Elucidating the Li-ion solvation structure in PVDF-based quasi-solid electrolytes
2025 Ceribelli, N; Di Liberto, G; Giordano, L
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
Molecular-Level insights into Li-ion solvation in PVDF-based quasi-solid electrolytes: A First-Principles Study
2025 Ceribelli, N; Di Liberto, G; Giordano, L
TiN in Aqueous Environment: a Step Towards the Experimental Complexity
2025 Saetta, C; 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
Li-ion solvation shell in PVDF-Based Quasi-Solid Electrolytes: A Molecular Perspective
2025 Ceribelli, N; Di Liberto, G; Giordano, L
CO2 Activation on Single-Atom Catalysts: Importance of the Supporting Matrix
2025 Spotti, M; Di Liberto, G; Pacchioni, G
Direct styrene hydrogenation on a metal-free boron-nitrogen doped carbon catalyst
2025 Gupta, N; Soni, A; Kumar, S; Shandilya, M; Inico, E; Barlocco, I; Di Liberto, G; Villa, A
Lithium-Ion Solvation Shell in Polyvinylidene Difluoride-Based Quasi-Solid Electrolytes from Ab Initio Molecular Dynamics Simulations
2025 Ceribelli, N; Ceribelli, N; Di Liberto, G; Di Liberto, G; Giordano, L; Giordano, L
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
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 Catalysts on Goldene
2025 Picello, S; Inico, E; Saetta, C; 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
On the nature of K3Fe(CN)6 and K4Fe(CN)6 in aqueous environment: An ab-initio molecular dynamics study
2025 Inico, E; Ceribelli, N; Giordano, L; Brogioli, D; La Mantia, F; Di Liberto, G
Tuning Crystal Growth of Colloidal Cs3Bi2I9 Perovskite-Like Nanocrystals via a Solvent-Assisted Reprecipitation Approach
2025 Bellotti, V; Pallini, F; Mattiello, S; Bezuidenhou, C; Saetta, C; Di Liberto, G; Trifiletti, V; Khodadadi, A; Zanotti, G; Flammini, R; Contini, G; Beverina, L
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