Sfoglia per Autore
Hydration of MgO, CaO, SrO, and BaO (001) Surfaces from First Principles
2024 Maleki, F; Inico, E; Di Liberto, G
CO2 electroreduction on single atom catalysts: the role of the DFT functional
2024 Misra, D; Di Liberto, G; Pacchioni, G
Host–Guest Interactions and Transport Mechanism in Poly(vinylidene fluoride)-Based Quasi-Solid Electrolytes for Lithium Metal Batteries
2024 Vallana, N; Carena, E; Ceribelli, N; Mezzomo, L; Di Liberto, G; Mauri, M; Ferrara, C; Lorenzi, R; Giordano, L; Ruffo, R; Mustarelli, P
PVDF-HFP Based, Quasi-Solid Nanocomposite Electrolytes for Lithium Metal Batteries
2024 Carena, E; Mezzomo, L; Vallana, N; Ceribelli, N; Di Liberto, G; Mostoni, S; Ferrara, C; Mauri, M; Lorenzi, R; Giordano, L; Ruffo, R; Mustarelli, P
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
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
Predicting the activity of single atom catalysts
2024 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
Stable, while Still Active? A DFT Study of Cu, Ag, and Au Single Atoms at the C3N4/TiO2 Interface
2024 Di Liberto, G; Tosoni, S
Predicting the Stability of Single-Atom Catalysts in Electrochemical Reactions
2024 Di Liberto, G; Giordano, L; Pacchioni, G
New scaling relationships for the oxygen evolution reaction on single atom catalysts
2024 Barlocco, I; Di Liberto, G; Pacchioni, G
Impact of quantum size effects to the band gap of catalytic materials: a computational perspective
2024 Inico, E; Saetta, C; Di Liberto, G
Role of solvation model on the stability of oxygenates on Pt(111): A comparison between microsolvation, extended bilayer, and extended metal/water interface
2024 Di Liberto, G; Giordano, L
Investigation of the key role of DMF solvent in PVDF-based electrolytes
2023 Ceribelli, N; Di Liberto, G; Giordano, L
Modelling single atom catalysts for water splitting and fuel cells: A tutorial review
2023 Tosoni, S; Di Liberto, G; Matanovic, I; Pacchioni, G
Single-atom electrocatalysis from first principles: Current status and open challenges
2023 Di Liberto, G; Barlocco, I; Giordano, L; Tosoni, S; Pacchioni, G
Light-driven C–O coupling of carboxylic acids and alkyl halides over a Ni single-atom catalyst
2023 Bajada, M; Di Liberto, G; Tosoni, S; Ruta, V; Mino, L; Allasia, N; Sivo, A; Pacchioni, G; Vilé, G
Does the Oxygen Evolution Reaction follow the classical OH*, O*, OOH* path on single atom catalysts?
2023 Barlocco, I; Cipriano, L; Di Liberto, G; Pacchioni, G
Identification of Intermediates in the Reaction Pathway of SO2 on the CaO Surface: From Physisorption to Sulfite to Sulfate
2023 Schewe, N; Maleki, F; Di Liberto, G; Gerdes, A; Idriss, H; Pacchioni, G; Wöll, C
pH- and Facet-Dependent Surface Chemistry of TiO2 in Aqueous Environment from First Principles
2023 Maleki, F; Di Liberto, G; Pacchioni, G
Legenda icone
- file ad accesso aperto
- file disponibili sulla rete interna
- file disponibili agli utenti autorizzati
- file disponibili solo agli amministratori
- file sotto embargo
- nessun file disponibile