| Ions tune interfacial water structure and modulate hydrophobic interactions at silica surfaces A Tuladhar, S Dewan, S Pezzotti, FS Brigiano, F Creazzo, MP Gaigeot, ... Journal of the American Chemical Society 142 (15), 6991-7000, 2020 | 83 | 2020 |
| Ab initio molecular dynamics study of an aqueous NaCl solution under an electric field G Cassone, F Creazzo, PV Giaquinta, F Saija, AM Saitta Physical Chemistry Chemical Physics 18 (33), 23164-23173, 2016 | 49 | 2016 |
| Ionic diffusion and proton transfer in aqueous solutions of alkali metal salts G Cassone, F Creazzo, PV Giaquinta, J Sponer, F Saija Physical Chemistry Chemical Physics 19 (31), 20420-20429, 2017 | 45 | 2017 |
| DFT-MD of the (110)-Co3O4 cobalt oxide semiconductor in contact with liquid water, preliminary chemical and physical insights into the electrochemical environment F Creazzo, DR Galimberti, S Pezzotti, MP Gaigeot The Journal of chemical physics 150 (4), 2019 | 33 | 2019 |
| Explicit solvent effects on (1 1 0) ruthenium oxide surface wettability: Structural, electronic and mechanical properties of rutile RuO2 by means of spin-polarized DFT-MD F Creazzo, S Luber Applied Surface Science 570, 150993, 2021 | 20 | 2021 |
| Water‐Assisted Chemical Route Towards the Oxygen Evolution Reaction at the Hydrated (110) Ruthenium Oxide Surface: Heterogeneous Catalysis via DFT‐MD and Metadynamics Simulations F Creazzo, S Luber Chemistry–A European Journal 27 (68), 17024-17037, 2021 | 18 | 2021 |
| Solution phase treatments of Sb 2 Se 3 heterojunction photocathodes for improved water splitting performance P Adams, F Creazzo, T Moehl, R Crockett, P Zeng, Z Novotny, S Luber, ... Journal of Materials Chemistry A 11 (15), 8277-8284, 2023 | 16 | 2023 |
| Enhanced conductivity of water at the electrified air–water interface: a DFT-MD characterization F Creazzo, S Pezzotti, S Bougueroua, A Serva, J Sponer, F Saija, ... Physical Chemistry Chemical Physics 22 (19), 10438-10446, 2020 | 15 | 2020 |
| Water Structure in the First Layers on TiO2: A Key Factor for Boosting Solar-Driven Water-Splitting Performances R Verduci, F Creazzo, F Tavella, S Abate, C Ampelli, S Luber, ... Journal of the American Chemical Society 146 (26), 18061-18073, 2024 | 10 | 2024 |
| Machine learning-assisted discovery of hidden states in expanded free energy space R Ketkaew, F Creazzo, S Luber The journal of physical chemistry letters 13 (7), 1797-1805, 2022 | 8 | 2022 |
| Ionic diffusion and proton transfer of MgCl2 and CaCl2 aqueous solutions: an ab initio study under electric field G Cassone, F Creazzo, F Saija Molecular Simulation 45 (4-5), 373-380, 2019 | 8 | 2019 |
| Effects of surface wettability on (001)-WO3 and (100)-WSe2: A spin-polarized DFT-MD study F Creazzo, R Ketkaew, K Sivula, S Luber Applied Surface Science 601, 154203, 2022 | 7 | 2022 |
| Two Novel Dinuclear Cobalt Polypyridyl Complexes in Electro‐and Photocatalysis for Hydrogen Production: Cooperativity Increases Performance N Weder, NS Grundmann, B Probst, O Blacque, R Ketkaew, F Creazzo, ... ChemSusChem 15 (17), e202201049, 2022 | 6 | 2022 |
| Closer Look at Inverse Electron Demand Diels–Alder and Nucleophilic Addition Reactions on s-Tetrazines Using Enhanced Sampling Methods R Ketkaew, F Creazzo, S Luber Topics in Catalysis 65 (1), 1-17, 2022 | 5 | 2022 |
| Oxygen evolution reaction at cobalt oxides/water interfaces: heterogeneous electrocatalysis by DFT-MD simulations & metadynamics F Creazzo Université Paris-Saclay, 2020 | 3 | 2020 |
| Ionic diffusion and proton transfer in aqueous solutions under an electric field: State-of-the-art F Creazzo J Mol Sci 1 (2), 1-2, 2017 | 2 | 2017 |
| A metadynamics study of water oxidation reactions at (001)-WO3/liquid-water interface R Ketkaew, F Creazzo, K Sivula, S Luber Chem Catalysis 4 (9), 2024 | | 2024 |
| Water–air interface revisited by means of path-integral ab initio molecular dynamics F Creazzo, S Luber Physical Chemistry Chemical Physics 26 (31), 21290-21302, 2024 | | 2024 |
| Modeling of solid-liquid interfaces for water splitting catalysis F Creazzo, S Luber Elsevier, 2023 | | 2023 |
| Correction to “Machine Learning-Assisted Discovery of Hidden States in Expanded Free Energy Space” R Ketkaew, F Creazzo, S Luber The Journal of Physical Chemistry Letters 13 (46), 10810-10810, 2022 | | 2022 |
Giuseppe CassoneResearcher, National Research CouncilVerified email at ipcf.cnr.it