Sfoglia per Autore
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
CO2 electroreduction on single atom catalysts: the role of the DFT functional
2024 Misra, D; 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
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
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
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 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
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
New scaling relationships for the oxygen evolution reaction on single atom catalysts
2024 Barlocco, I; Di Liberto, G; Pacchioni, G
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
Mixed Germania-Silica Films on Ru(0001): A combined experimental and theoretical study
2023 Fuhrich, A; Paier, J; Tosoni, S; Leandro Lewandowski, A; Gura, L; Schneider, W; Pacchioni, G; Freund, H
Hydrogen complexes on single atom alloys: classical chemisorption versus coordination chemistry
2023 Barlocco, I; Di Liberto, G; Pacchioni, G
Hydrogen and oxygen evolution reactions on single atom catalysts stabilized by a covalent organic framework
2023 Barlocco, I; Di Liberto, G; Pacchioni, G
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