Sfoglia per Autore
Two-dimensional MSi2N4 (M = Ge, Sn, and Pb) monolayers: promising new materials for optoelectronic applications
2024 Jahangirzadeh Varjovi, M; Ershadrad, S; Sanyal, B; Tosoni, S
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
Detailed work function and structural investigations of layered MoO3 onto SiO2 and MoS2 in air
2024 Sovizi, S; Tosoni, S; Zdunek, T; Szoszkiewicz, R
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
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
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
A DFT study of Mn3O4 Hausmannite thin films supported on coinage metals
2023 Tosoni, S
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
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
Honeycomb layered oxide as cathodic material for Li- and post-Li batteries: A self-consistent PBE + U study of metal ions (A = Li, Ca, Al) intercalation in bulk SrRu2O6
2023 Das, T; Tosoni, S
Band Edges Engineering of 2D/2D Heterostructures: The C3N4/Phosphorene Interface
2023 Di Liberto, G; Tosoni, S
Magnetic nature and hyperfine interactions of transition metal atoms adsorbed on ultrathin insulating films: a challenge for DFT
2022 Tosoni, S; Pacchioni, G
A Few Questions about Single-Atom Catalysts: When Modeling Helps
2022 Di Liberto, G; Tosoni, S; Cipriano, L; Pacchioni, G
MoS2 oxidative etching caught in the act: formation of single (MoO3)n molecules
2022 Sovizi, S; Tosoni, S; Szoszkiewicz, R
Covalent Adsorption of N-Heterocyclic Carbenes on a Copper Oxide Surface
2022 Navarro, J; Das, M; Tosoni, S; Landwehr, F; Bruce, J; Heyde, M; Pacchioni, G; Glorius, F; Roldan Cuenya, B
Growth of N-Heterocyclic Carbene Assemblies on Cu(100) and Cu(111): From Single Molecules to Magic-Number Islands
2022 Navarro, J; Das, M; Tosoni, S; Landwehr, F; Koy, M; Heyde, M; Pacchioni, G; Glorius, F; Roldan Cuenya, B
Interfacing single-atom catalysis with continuous-flow organic electrosynthesis
2022 Bajada, M; Sanjose-Orduna, J; Di Liberto, G; Tosoni, S; Pacchioni, G; Noel, T; Vile, G
Azide-Alkyne Click Chemistry over a Heterogeneous Copper-Based Single-Atom Catalyst
2022 Vile, G; Di Liberto, G; Tosoni, S; Sivo, A; Ruta, V; Nachtegaal, M; Clark, A; Agnoli, S; Zou, Y; Savateev, A; Antonietti, M; Pacchioni, G
Vibrational Properties of CO Adsorbed on Au Single Atom Catalysts on TiO2(101), ZrO2(101), CeO2(111), and LaFeO3(001) Surfaces: A DFT Study
2022 Thang, H; Maleki, F; Tosoni, S; Pacchioni, G
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