Sfoglia per Autore PACCHIONI, GIANFRANCO
Hydrogen and oxygen evolution reactions on single atom catalysts stabilized by a covalent organic framework
2023 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
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
CO2 electroreduction on single atom catalysts: Is water just a solvent?
2023 Misra, D; 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
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
CO2 Activation on Cu/TiO2 Nanostructures: Importance of Dual Binding Site
2023 Barlocco, I; Maleki, F; 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
Hydrogen complexes on single atom alloys: classical chemisorption versus coordination chemistry
2023 Barlocco, I; Di Liberto, G; 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
Role of Water Solvation on the Key Intermediates Catalyzing Oxygen Evolution on RuO2
2023 Di Liberto, G; Pacchioni, G; Shao-Horn, Y; Giordano, L
pH- and Facet-Dependent Surface Chemistry of TiO2 in Aqueous Environment from First Principles
2023 Maleki, F; Di Liberto, G; Pacchioni, G
2D/2D Z-scheme-based α-Fe2O3 @NGr heterojunction implanted with Pt single-atoms for remarkable photocatalytic hydrogen evolution
2023 Dao, V; Cipriano, L; Ki, S; Yadav, S; Wang, W; Di Liberto, G; Chen, K; Son, H; Yang, J; Pacchioni, G; Lee, I
Water Splitting on a Pt1/C3N4 Single Atom Catalyst: A Modeling Approach
2023 Saetta, C; Di Liberto, G; Pacchioni, G
First principles approach to solar energy conversion efficiency of semiconductor heterojunctions
2022 Di Liberto, G; Fatale, O; Pacchioni, G
LaFeO3 meets nitrogen-doped graphene functionalized with ultralow Pt loading in an impactful Z-scheme platform for photocatalytic hydrogen evolution
2022 Van Dao, D; Di Liberto, G; Ko, H; Park, J; Wang, W; Shin, D; Son, H; Van Le, Q; Van Nguyen, T; Van Tan, V; Pacchioni, G; Lee, I
PH Dependence of MgO, TiO2, and γ-Al2O3Surface Chemistry from First Principles
2022 Di Liberto, G; Maleki, F; Pacchioni, G
Defect engineering of oxide surfaces: Dream or reality?
2022 Pacchioni, G; Rahman, T
Modeling Hydrogen and Oxygen Evolution Reactions on Single Atom Catalysts with Density Functional Theory: Role of the Functional
2022 Barlocco, I; Cipriano, L; Di Liberto, G; Pacchioni, G
Magnetic nature and hyperfine interactions of transition metal atoms adsorbed on ultrathin insulating films: a challenge for DFT
2022 Tosoni, S; Pacchioni, G
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